| 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 | 27.5 | Very low | 69.9 | Low | 174 Ų | 174 | 49.2 Ų | 49.2 | 86% | 0.857 | 29% | 0.294 | S | S | * | . | 0 | 5.1 | 0 | -69.8 | -151.1 | -170.6 | 0 | 0 | 113.8 | G3 | M1-G3 PolarHBondContact O-N 3.49Š| |||
| 2 | S | 25.8 | Very low | 71.7 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | trans | -80.1 | 45 | 177 | 56 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | G | 40.5 | Very low | 72.9 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -79.7 | 162.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 N5 | M1-G3 PolarHBondContact O-N 3.49Å; G3-N5 PolarHBondContact O-N 3.45Å |
| 4 | N | 58.3 | Low | 73.8 | Confident | 131 Ų | 131 | 40.6 Ų | 40.6 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -63 | 28.2 | 172.3 | -119.4 | 5 | 0 | 0 | 0 | 112.6 | R1015 | N4-R1015 VanDerWaalsContact C-NH2 3.33Å; N4-R1015 PolarHBondContact O-NH1 3.03Å; N4-R1015 PolarHBondContact O-NH2 3.42Å |
| 5 | N | 71.3 | Confident | 74.5 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 25% | 0.25 | S | C | . | . | trans | -87.6 | 143.7 | -175.9 | -68.8 | 19.7 | 0 | 0 | 0 | 110.9 | G3 V7 D739 E741 R1015 | G3-N5 PolarHBondContact O-N 3.45Å; N5-V7 HydrophobicContact CB-CG2 3.9Å; N5-V7 PolarHBondContact O-N 3.35Å; N5-V7 VanDerWaalsContact O-N 3.12Å; N5-D739 PolarHBondContact ND2-OD2 3.41Å; N5-E741 WeakPolarHBondContact CA-OE1 3.38Å; N5-R1015 PolarHBondContact O-NH2 3.46Å | ||
| 6 | L | 86.4 | Confident | 75.2 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -76.3 | 92.3 | 168.2 | -177.7 | 62.6 | 0 | 0 | 0 | 109.7 | V740 E741 Q919 L922 V1023 | L6-V740 HydrophobicContact CB-CB 4.31Å; L6-V740 HydrophobicContact CB-CG2 4.46Å; L6-V740 HydrophobicContact CD2-CB 4Å; L6-V740 HydrophobicContact CD2-CG1 4.17Å; L6-V740 HydrophobicContact CD2-CG2 3.96Å; L6-V740 HydrophobicContact CG-CB 4.14Å; L6-V740 HydrophobicContact CG-CG2 3.88Å; L6-V740 WeakPolarHBondContact O-CG2 3.14Å; L6-V740 PolarHBondContact O-N 3.43Å; L6-E741 PolarHBondContact N-OE1 3.42Å; L6-E741 VanDerWaalsContact N-OE1 3.13Å; L6-Q919 HydrophobicContact CD1-CB 4.21Å; L6-Q919 HydrophobicContact CD1-CG 4.12Å; L6-L922 HydrophobicContact CD2-CB 3.79Å; L6-V1023 HydrophobicContact CD2-CG1 4.43Å; L6-V1023 HydrophobicContact CD2-CG2 4.44Å | ||
| 7 | V | 89.4 | Confident | 76 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.7 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | N5 F737 F738 D739 I870 | N5-V7 HydrophobicContact CB-CG2 3.9Å; N5-V7 PolarHBondContact O-N 3.35Å; N5-V7 VanDerWaalsContact O-N 3.12Å; V7-F737 HydrophobicContact CG1-CB 4.04Å; V7-F737 HydrophobicContact CG1-CD1 4.04Å; V7-F738 VanDerWaalsContact CA-O 3.3Å; V7-F738 WeakPolarHBondContact CA-O 3.47Å; V7-D739 HydrophobicContact CG2-CB 4.24Å; V7-I870 HydrophobicContact CB-CD1 4.26Å; V7-I870 HydrophobicContact CG1-CD1 3.81Å |
| 8 | L | 91.8 | Very high | 76.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117 | -178.3 | -167.7 | 163.7 | 0 | 0 | 0 | 110.7 | I10 F738 F835 L839 F867 H920 | L8-I10 HydrophobicContact CD2-CG1 3.92Å; L8-F738 PolarHBondContact N-O 3.4Å; L8-F738 PolarHBondContact O-N 2.98Å; L8-F835 HydrophobicContact CB-CE2 4.09Å; L8-F835 HydrophobicContact CB-CZ 4.03Å; L8-F835 HydrophobicContact CD1-CE2 4Å; L8-F835 HydrophobicContact CD1-CZ 3.97Å; L8-F835 HydrophobicContact CD2-CE2 3.97Å; L8-F835 HydrophobicContact CG-CE2 4.25Å; L8-F835 HydrophobicContact CG-CZ 4.46Å; L8-L839 HydrophobicContact CD1-CD2 3.78Å; L8-F867 HydrophobicContact CD2-CD1 3.73Å; L8-F867 HydrophobicContact CD2-CE1 4.19Å; L8-H920 WeakPolarHBondContact CD1-CD2 3.2Å |
| 9 | P | 92.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.9 | 177 | 31 | -31.7 | 0 | 0 | 0 | 112.7 | V735 L736 F737 G868 I870 | P9-V735 HydrophobicContact CB-CG1 3.6Å; P9-L736 CarbonylContact C-O 3.52Å; P9-L736 WeakPolarHBondContact CA-O 3.12Å; P9-F737 HydrophobicContact CB-CD1 3.79Å; P9-F737 HydrophobicContact CB-CE1 3.73Å; P9-F737 HydrophobicContact CG-CE1 4.44Å; P9-G868 WeakPolarHBondContact CD-O 3.41Å; P9-G868 VanDerWaalsContact CG-O 3.32Å; P9-G868 WeakPolarHBondContact CG-O 3.48Å; P9-G868 PolarHBondContact O-N 3.11Å; P9-I870 HydrophobicContact CG-CD1 4.49Å; P9-I870 HydrophobicContact CG-CG1 4.05Å |
| 10 | I | 93 | Very high | 78.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.5 | 166.8 | -62.7 | -179.4 | 0 | 0 | 0 | 108.3 | L8 L488 L736 F738 F835 C838 I865 F867 | L8-I10 HydrophobicContact CD2-CG1 3.92Å; I10-L488 HydrophobicContact CG2-CD1 4.14Å; I10-L736 HydrophobicContact CB-CB 4.43Å; I10-L736 PolarHBondContact N-O 3.14Å; I10-L736 WeakPolarHBondContact O-CD1 3Å; I10-L736 PolarHBondContact O-N 3.07Å; I10-F738 HydrophobicContact CB-CE2 4.24Å; I10-F738 HydrophobicContact CD1-CD2 4.21Å; I10-F738 HydrophobicContact CD1-CE2 3.77Å; I10-F738 HydrophobicContact CG1-CD2 4.32Å; I10-F738 HydrophobicContact CG1-CE2 4.1Å; I10-F835 HydrophobicContact CD1-CD2 4.28Å; I10-C838 HydrophobicContact CD1-CB 3.74Å; I10-I865 HydrophobicContact CD1-CG2 4.38Å; I10-I865 HydrophobicContact CG1-CG2 4.47Å; I10-I865 HydrophobicContact CG2-CG2 3.7Å; I10-F867 HydrophobicContact CD1-CD1 4.49Å; I10-F867 HydrophobicContact CD1-CE1 4.01Å; I10-F867 HydrophobicContact CG1-CD1 3.9Å; I10-F867 HydrophobicContact CG1-CE1 3.92Å |
| 11 | V | 92.6 | Very high | 78.7 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.1 | -174.3 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | W13 V735 S866 L878 | V11-W13 HydrophobicContact CG1-CD2 3.94Å; V11-W13 HydrophobicContact CG1-CG 4.16Å; V11-W13 HydrophobicContact CG1-CZ2 4.03Å; V11-V735 HydrophobicContact CG1-CG2 4.28Å; V11-V735 HydrophobicContact CG2-CG1 4.37Å; V11-V735 HydrophobicContact CG2-CG2 4.19Å; V11-S866 PolarHBondContact N-O 3.04Å; V11-L878 HydrophobicContact CG2-CB 4.15Å; V11-L878 HydrophobicContact CG2-CD1 4.17Å; V11-L878 HydrophobicContact CG2-CD2 3.78Å; V11-L878 HydrophobicContact CG2-CG 4.23Å |
| 12 | L | 91.5 | Very high | 81.9 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 96.7 | 167.3 | -70.5 | 175.5 | 0 | 0 | 0 | 109.1 | G14 I438 A484 Q487 L488 H734 L736 | L12-G14 PolarHBondContact O-N 3.11Å; L12-I438 HydrophobicContact CD1-CB 3.82Å; L12-I438 HydrophobicContact CD1-CD1 4.04Å; L12-I438 HydrophobicContact CD1-CG1 3.99Å; L12-A484 HydrophobicContact CD1-CB 4.47Å; L12-Q487 HydrophobicContact CD2-CB 4.34Å; L12-L488 HydrophobicContact CD2-CD1 4.02Å; L12-L488 HydrophobicContact CD2-CD2 3.42Å; L12-L488 VanDerWaalsContact CD2-CD2 3.42Å; L12-L488 HydrophobicContact CD2-CG 3.72Å; L12-H734 PolarHBondContact N-O 3.5Å; L12-L736 HydrophobicContact CD1-CD1 3.78Å; L12-L736 HydrophobicContact CG-CD1 3.83Å |
| 13 | W | 87.4 | Confident | 85.2 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | trans | -72.3 | 123.4 | 172.9 | -64 | 100.2 | 0 | 0 | 0 | 109.4 | V11 P18 F428 S435 S436 M733 S866 L878 M879 L880 P881 | V11-W13 HydrophobicContact CG1-CD2 3.94Å; V11-W13 HydrophobicContact CG1-CG 4.16Å; V11-W13 HydrophobicContact CG1-CZ2 4.03Å; W13-P18 HydrophobicContact CE3-CG 4.47Å; W13-P18 HydrophobicContact CZ3-CG 3.79Å; W13-F428 HydrophobicContact CB-CE1 3.98Å; W13-F428 HydrophobicContact CB-CZ 4.3Å; W13-F428 HydrophobicContact CD2-CZ 4.24Å; W13-F428 HydrophobicContact CE3-CE1 4.48Å; W13-F428 HydrophobicContact CE3-CZ 4.1Å; W13-F428 HydrophobicContact CG-CZ 4.36Å; W13-S435 WeakPolarHBondContact O-CB 3.38Å; W13-S436 CarbonylContact O-C 3.58Å; W13-S436 VanDerWaalsContact O-C 3.27Å; W13-S436 PolarHBondContact O-N 3.48Å; W13-M733 HydrophobicContact CE3-SD 4.24Å; W13-M733 HydrophobicContact CH2-SD 4.03Å; W13-M733 HydrophobicContact CZ3-CE 3.81Å; W13-M733 HydrophobicContact CZ3-SD 3.6Å; W13-S866 PolarHBondContact NE1-OG 3.42Å; W13-L878 HydrophobicContact CH2-CB 4.35Å; W13-L878 HydrophobicContact CH2-CD1 4.45Å; W13-L878 HydrophobicContact CZ2-CB 3.85Å; W13-L878 HydrophobicContact CZ2-CD1 4.49Å; W13-M879 PolarHBondContact NE1-O 3.06Å; W13-L880 HydrophobicContact CD2-CD2 4.37Å; W13-L880 HydrophobicContact CE3-CD2 4.35Å; W13-L880 HydrophobicContact CH2-CD2 3.61Å; W13-L880 HydrophobicContact CZ2-CD2 3.6Å; W13-L880 HydrophobicContact CZ2-CG 4.45Å; W13-L880 HydrophobicContact CZ3-CD2 4.01Å; W13-P881 HydrophobicContact CB-CG 4.38Å; W13-P881 HydrophobicContact CG-CG 4.29Å | ||
| 14 | G | 85.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | trans | -61.7 | 174.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | L12 T16 S435 | L12-G14 PolarHBondContact O-N 3.11Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.95Å; G14-S435 PolarHBondContact O-OG 2.78Å | ||
| 15 | R | 83.9 | Confident | 89.5 | Confident | 85 Ų | 85 | 17.6 Ų | 17.6 | 32% | 0.321 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -67 | -30.1 | 175.5 | -175.4 | 167.5 | 179.7 | -172.6 | -2.3 | 113.5 | Q425 V434 D440 Q449 | R15-Q425 PolarHBondContact O-NE2 3.44Å; R15-V434 HydrophobicContact CG-CG1 3.79Å; R15-D440 PolarHBondContact N-OD2 2.93Å; R15-Q449 PolarHBondContact NH1-O 3.02Å |
| 16 | T | 86.9 | Confident | 90.6 | Very high | 43 Ų | 43 | 15.9 Ų | 15.9 | 26% | 0.264 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -85.9 | 128.2 | 174.3 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | G14 P731 | G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.95Å; T16-P731 WeakPolarHBondContact OG1-CG 3.27Å |
| 17 | A | 88.9 | Confident | 90.9 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 9% | 0.091 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 150.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L424 Q425 F428 | A17-L424 HydrophobicContact CB-CB 3.89Å; A17-Q425 HydrophobicContact CB-CB 4.29Å; A17-F428 HydrophobicContact CB-CB 4.3Å; A17-F428 HydrophobicContact CB-CD1 3.91Å; A17-F428 HydrophobicContact CB-CD2 3.92Å; A17-F428 HydrophobicContact CB-CE1 4.15Å; A17-F428 HydrophobicContact CB-CE2 4.17Å; A17-F428 HydrophobicContact CB-CG 3.79Å; A17-F428 HydrophobicContact CB-CZ 4.28Å |
| 18 | P | 89.6 | Confident | 90.9 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 144.8 | 169.6 | 25.9 | -35.2 | 0 | 0 | 0 | 111.6 | W13 M59 L424 T726 M733 | W13-P18 HydrophobicContact CE3-CG 4.47Å; W13-P18 HydrophobicContact CZ3-CG 3.79Å; P18-M59 HydrophobicContact CB-CE 3.88Å; P18-M59 HydrophobicContact CB-SD 4.16Å; P18-M59 HydrophobicContact CG-CE 3.39Å; P18-M59 HydrophobicContact CG-SD 4Å; P18-L424 HydrophobicContact CG-CD1 4.3Å; P18-L424 WeakPolarHBondContact O-CD1 3.3Å; P18-T726 HydrophobicContact CB-CG2 3.66Å; P18-T726 VanDerWaalsContact CB-OG1 3.24Å; P18-T726 WeakPolarHBondContact CB-OG1 3.19Å; P18-M733 HydrophobicContact CB-CE 4.08Å |
| 19 | T | 88.5 | Confident | 90.4 | Very high | 45 Ų | 45 | 18.2 Ų | 18.2 | 28% | 0.276 | 10% | 0.102 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 146.3 | 171 | 55.5 | 0 | 0 | 0 | 0 | 111 | N727 D730 | T19-N727 VanDerWaalsContact OG1-CB 3.23Å; T19-N727 WeakPolarHBondContact OG1-CB 3.2Å; T19-D730 WeakPolarHBondContact CG2-OD1 3.48Å; T19-D730 PolarHBondContact N-OD2 3.12Å; T19-D730 PolarHBondContact OG1-OD2 3.37Å |
| 20 | H | 91.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | trans | -149.4 | 77.3 | -178.7 | -173.8 | 57.3 | 0 | 0 | 0 | 110.9 | I22 T36 C38 G394 L424 | H20-I22 PolarHBondContact O-N 3.06Å; H20-T36 PolarHBondContact CE1-O 2.97Å; H20-T36 WeakPolarHBondContact NE2-CB 3.33Å; H20-T36 PolarHBondContact NE2-OG1 3.03Å; H20-C38 WeakPolarHBondContact ND1-CB 3.45Å; H20-G394 WeakPolarHBondContact O-CA 3.41Å; H20-L424 HydrophobicContact CB-CD1 3.49Å; H20-L424 VanDerWaalsContact CB-CD1 3.49Å | ||
| 21 | C | 91.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 22.2 Ų | 22.2 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | trans | -71 | 107.9 | -179 | -52.6 | 0 | 0 | 0 | 0 | 110 | S23 C38 H39 S392 | C21-S23 PolarHBondContact O-N 3.43Å; C21-C38 PolarHBondContact N-SG 3.27Å; C21-C38 CarbonylContact O-C 3.55Å; C21-C38 VanDerWaalsContact O-CA 3.23Å; C21-C38 WeakPolarHBondContact O-CA 3.2Å; C21-H39 HydrophobicContact CB-CB 4.07Å; C21-H39 PolarHBondContact O-N 3.36Å; C21-S392 WeakPolarHBondContact CA-O 3.42Å; C21-S392 WeakPolarHBondContact CB-O 3.25Å; C21-S392 PolarHBondContact SG-O 3.03Å | ||
| 22 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 115.1 | -166.9 | -59.1 | 171.2 | 0 | 0 | 0 | 110.6 | H20 T36 G37 D391 L396 | H20-I22 PolarHBondContact O-N 3.06Å; I22-T36 HydrophobicContact CD1-CG2 4.27Å; I22-T36 HydrophobicContact CG2-CG2 4.2Å; I22-G37 WeakPolarHBondContact CA-O 3.37Å; I22-D391 WeakPolarHBondContact CB-O 3.35Å; I22-D391 PolarHBondContact N-O 2.83Å; I22-D391 VanDerWaalsContact N-O 3.12Å; I22-L396 HydrophobicContact CD1-CD2 3.66Å; I22-L396 HydrophobicContact CD1-CG 3.79Å |
| 23 | S | 93.8 | Very high | 88.8 | Confident | 25 Ų | 25 | 25 Ų | 25 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -20.1 | -179.6 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | C21 G37 C38 I67 V372 | C21-S23 PolarHBondContact O-N 3.43Å; S23-G37 PolarHBondContact N-O 3.26Å; S23-G37 PolarHBondContact OG-O 2.95Å; S23-C38 VanDerWaalsContact OG-C 3.24Å; S23-C38 PolarHBondContact OG-O 2.9Å; S23-I67 WeakPolarHBondContact CB-O 3.49Å; S23-I67 PolarHBondContact OG-O 3.13Å; S23-V372 VanDerWaalsContact C-CG2 3.47Å; S23-V372 WeakPolarHBondContact O-CG2 3.24Å |
| 24 | S | 93.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.7 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | T36 G37 I67 L70 | S24-T36 CarbonylContact O-C 3.56Å; S24-T36 VanDerWaalsContact O-CA 3.27Å; S24-T36 WeakPolarHBondContact O-CA 3.46Å; S24-G37 PolarHBondContact N-O 3.27Å; S24-G37 PolarHBondContact O-N 3.37Å; S24-G37 WeakPolarHBondContact OG-CA 3.27Å; S24-G37 PolarHBondContact OG-N 2.77Å; S24-I67 WeakPolarHBondContact OG-CG2 3.47Å; S24-L70 WeakPolarHBondContact OG-CD1 3.36Å |
| 25 | L | 95.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136.7 | -174.3 | -165.7 | 145.9 | 0 | 0 | 0 | 112.2 | V27 I34 I35 T36 V372 R374 F376 I388 L396 | L25-V27 HydrophobicContact CD2-CG2 4.38Å; L25-I34 HydrophobicContact CG-CG2 4.48Å; L25-I35 WeakPolarHBondContact CA-O 3.04Å; L25-T36 HydrophobicContact CD1-CG2 4.26Å; L25-T36 HydrophobicContact CG-CG2 4.38Å; L25-V372 HydrophobicContact CB-CG1 3.92Å; L25-R374 HydrophobicContact CD2-CB 4.18Å; L25-R374 HydrophobicContact CD2-CG 4.47Å; L25-F376 HydrophobicContact CD2-CE2 3.49Å; L25-F376 VanDerWaalsContact CD2-CE2 3.49Å; L25-F376 HydrophobicContact CD2-CZ 3.64Å; L25-I388 HydrophobicContact CD1-CB 4.28Å; L25-I388 HydrophobicContact CD1-CG2 3.49Å; L25-I388 VanDerWaalsContact CD1-CG2 3.49Å; L25-I388 HydrophobicContact CD2-CB 4.14Å; L25-I388 HydrophobicContact CD2-CG2 4.09Å; L25-I388 HydrophobicContact CG-CG2 4.43Å; L25-L396 HydrophobicContact CD1-CD2 3.73Å |
| 26 | L | 94.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 11% | 0.11 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.5 | 178 | 178.5 | 66.9 | 0 | 0 | 0 | 110.8 | M28 I35 L70 K72 I82 | L26-M28 HydrophobicContact CD2-SD 4.41Å; L26-I35 HydrophobicContact CB-CB 4.39Å; L26-I35 HydrophobicContact CD2-CD1 4.04Å; L26-I35 HydrophobicContact CG-CD1 4.35Å; L26-I35 PolarHBondContact N-O 3.34Å; L26-I35 PolarHBondContact O-N 3.41Å; L26-L70 HydrophobicContact CB-CB 4.04Å; L26-L70 HydrophobicContact CB-CD1 4.41Å; L26-L70 HydrophobicContact CD2-CB 4.27Å; L26-K72 HydrophobicContact CD1-CG 4.19Å; L26-K72 HydrophobicContact CD2-CG 4.07Å; L26-I82 HydrophobicContact CD2-CG2 4.13Å |
| 27 | V | 92 | Very high | 90.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.3 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | L25 F31 I34 K72 F376 I388 | L25-V27 HydrophobicContact CD2-CG2 4.38Å; V27-F31 HydrophobicContact CG1-CD1 4.06Å; V27-F31 HydrophobicContact CG1-CE1 4.33Å; V27-F31 HydrophobicContact CG1-CG 4.41Å; V27-I34 HydrophobicContact CG2-CG1 4.16Å; V27-I34 HydrophobicContact CG2-CG2 4.28Å; V27-K72 WeakPolarHBondContact O-CE 3.43Å; V27-K72 PolarHBondContact O-NZ 3.21Å; V27-F376 HydrophobicContact CB-CD1 3.73Å; V27-F376 HydrophobicContact CB-CD2 4.2Å; V27-F376 HydrophobicContact CB-CE1 3.7Å; V27-F376 HydrophobicContact CB-CE2 4.17Å; V27-F376 HydrophobicContact CB-CG 4Å; V27-F376 HydrophobicContact CB-CZ 3.93Å; V27-F376 HydrophobicContact CG2-CD1 4.05Å; V27-F376 HydrophobicContact CG2-CD2 3.61Å; V27-F376 HydrophobicContact CG2-CE1 3.88Å; V27-F376 HydrophobicContact CG2-CE2 3.42Å; V27-F376 VanDerWaalsContact CG2-CE2 3.42Å; V27-F376 HydrophobicContact CG2-CG 3.93Å; V27-F376 HydrophobicContact CG2-CZ 3.57Å; V27-I388 HydrophobicContact CG2-CD1 3.44Å; V27-I388 VanDerWaalsContact CG2-CD1 3.44Å |
| 28 | M | 89.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | -70.4 | 158.2 | 177.6 | -64.1 | -52.1 | -65.2 | 0 | 0 | 112.1 | L26 D30 F31 T33 I35 K72 Q80 I82 V96 | L26-M28 HydrophobicContact CD2-SD 4.41Å; M28-D30 WeakPolarHBondContact CB-OD1 3.1Å; M28-D30 PolarHBondContact O-N 3.46Å; M28-D30 VanDerWaalsContact O-N 3.13Å; M28-F31 PolarHBondContact O-N 3Å; M28-T33 PolarHBondContact N-O 3.17Å; M28-I35 HydrophobicContact CG-CD1 3.74Å; M28-I35 HydrophobicContact SD-CD1 3.48Å; M28-I35 WeakPolarHBondContact SD-CD1 3.41Å; M28-K72 HydrophobicContact CE-CD 4.32Å; M28-K72 HydrophobicContact CE-CG 4.17Å; M28-K72 HydrophobicContact SD-CD 4.48Å; M28-K72 HydrophobicContact SD-CG 4.14Å; M28-Q80 HydrophobicContact CE-CB 4.11Å; M28-I82 HydrophobicContact CE-CG2 4.1Å; M28-I82 HydrophobicContact SD-CG2 3.52Å; M28-I82 VanDerWaalsContact SD-CG2 3.52Å; M28-V96 HydrophobicContact CE-CG2 4.25Å; M28-V96 HydrophobicContact CG-CG1 4.44Å; M28-V96 HydrophobicContact SD-CG2 4.28Å | ||
| 29 | D | 82.3 | Confident | 91 | Very high | 78 Ų | 78 | 20.1 Ų | 20.1 | 42% | 0.417 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.3 | -174.2 | -71.7 | -38 | 0 | 0 | 0 | 113.8 | F31 K72 | D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 WeakPolarHBondContact O-CD2 3.43Å; D29-K72 VanDerWaalsContact N-NZ 3.12Å; D29-K72 IonicContact OD1-NZ 2.78Å; D29-K72 PolarHBondContact OD1-NZ 2.47Å; D29-K72 IonicContact OD2-NZ 3.4Å |
| 30 | D | 77.8 | Confident | 90.9 | Very high | 45 Ų | 45 | 20.2 Ų | 20.2 | 24% | 0.241 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.5 | 176.7 | 67.1 | -1.8 | 0 | 0 | 0 | 113.4 | M28 T32 | M28-D30 WeakPolarHBondContact CB-OD1 3.1Å; M28-D30 PolarHBondContact O-N 3.46Å; M28-D30 VanDerWaalsContact O-N 3.13Å; D30-T32 HydrophobicContact CB-CG2 3.99Å; D30-T32 WeakPolarHBondContact O-CG2 3.2Å; D30-T32 PolarHBondContact O-N 3.08Å; D30-T32 VanDerWaalsContact O-N 3.12Å; D30-T32 PolarHBondContact OD1-N 3.04Å; D30-T32 PolarHBondContact OD1-OG1 2.92Å; D30-T32 PolarHBondContact OD2-OG1 2.78Å |
| 31 | F | 83.7 | Confident | 90.9 | Very high | 40 Ų | 40 | 20 Ų | 20 | 18% | 0.175 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 53.1 | 24.9 | -172.6 | -71.7 | -101.5 | 0 | 0 | 0 | 113 | V27 M28 D29 M48 F376 F377 L386 | V27-F31 HydrophobicContact CG1-CD1 4.06Å; V27-F31 HydrophobicContact CG1-CE1 4.33Å; V27-F31 HydrophobicContact CG1-CG 4.41Å; M28-F31 PolarHBondContact O-N 3Å; D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 WeakPolarHBondContact O-CD2 3.43Å; F31-M48 HydrophobicContact CB-CE 4.07Å; F31-M48 HydrophobicContact CD1-CE 4.35Å; F31-M48 WeakPolarHBondContact O-CE 3.3Å; F31-F376 HydrophobicContact CE1-CB 3.71Å; F31-F376 HydrophobicContact CZ-CB 4.07Å; F31-F377 VanDerWaalsContact CZ-C 3.44Å; F31-F377 WeakPolarHBondContact CZ-O 3.37Å; F31-L386 HydrophobicContact CD1-CD1 3.99Å; F31-L386 HydrophobicContact CE1-CD1 4.37Å |
| 32 | T | 83.8 | Confident | 91 | Very high | 62 Ų | 62 | 20.2 Ų | 20.2 | 38% | 0.38 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -103.1 | -24.5 | 175.5 | 80.3 | 0 | 0 | 0 | 0 | 112 | D30 D47 M48 | D30-T32 HydrophobicContact CB-CG2 3.99Å; D30-T32 WeakPolarHBondContact O-CG2 3.2Å; D30-T32 PolarHBondContact O-N 3.08Å; D30-T32 VanDerWaalsContact O-N 3.12Å; D30-T32 PolarHBondContact OD1-N 3.04Å; D30-T32 PolarHBondContact OD1-OG1 2.92Å; D30-T32 PolarHBondContact OD2-OG1 2.78Å; T32-D47 CarbonylContact O-C 3.55Å; T32-D47 WeakPolarHBondContact O-CA 3.27Å; T32-M48 PolarHBondContact O-N 3.4Å |
| 33 | T | 90.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.5 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | M28 I35 W46 R57 V96 | M28-T33 PolarHBondContact N-O 3.17Å; T33-I35 HydrophobicContact CG2-CG1 4.3Å; T33-W46 CarbonylContact C-O 3.59Å; T33-W46 VanDerWaalsContact CA-O 3.28Å; T33-W46 WeakPolarHBondContact CA-O 3.44Å; T33-R57 PolarHBondContact OG1-NH1 2.69Å; T33-V96 HydrophobicContact CG2-CG1 3.81Å |
| 34 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.7 | 169.1 | -50.3 | 169.3 | 0 | 0 | 0 | 107.7 | L25 V27 T36 W46 M48 I54 I388 | L25-I34 HydrophobicContact CG-CG2 4.48Å; V27-I34 HydrophobicContact CG2-CG1 4.16Å; V27-I34 HydrophobicContact CG2-CG2 4.28Å; I34-T36 HydrophobicContact CG2-CG2 4.45Å; I34-W46 HydrophobicContact CB-CB 4.15Å; I34-W46 PolarHBondContact N-O 2.84Å; I34-W46 PolarHBondContact O-N 2.86Å; I34-M48 HydrophobicContact CD1-CB 4.27Å; I34-M48 HydrophobicContact CD1-SD 4.07Å; I34-M48 HydrophobicContact CG1-CB 4.41Å; I34-I54 HydrophobicContact CD1-CD1 3.92Å; I34-I54 HydrophobicContact CD1-CG1 4.03Å; I34-I54 HydrophobicContact CD1-CG2 4.42Å; I34-I388 HydrophobicContact CD1-CD1 4.07Å; I34-I388 HydrophobicContact CG1-CD1 4.42Å |
| 35 | I | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.5 | 179.4 | -57.3 | 140.1 | 0 | 0 | 0 | 107.9 | L25 L26 M28 T33 I43 L45 L70 I82 | L25-I35 WeakPolarHBondContact CA-O 3.04Å; L26-I35 HydrophobicContact CB-CB 4.39Å; L26-I35 HydrophobicContact CD2-CD1 4.04Å; L26-I35 HydrophobicContact CG-CD1 4.35Å; L26-I35 PolarHBondContact N-O 3.34Å; L26-I35 PolarHBondContact O-N 3.41Å; M28-I35 HydrophobicContact CG-CD1 3.74Å; M28-I35 HydrophobicContact SD-CD1 3.48Å; M28-I35 WeakPolarHBondContact SD-CD1 3.41Å; T33-I35 HydrophobicContact CG2-CG1 4.3Å; I35-I43 HydrophobicContact CG2-CG2 3.58Å; I35-L45 HydrophobicContact CB-CD2 4.41Å; I35-L45 HydrophobicContact CG1-CD2 3.73Å; I35-L45 HydrophobicContact CG2-CD2 4.11Å; I35-L70 HydrophobicContact CG2-CD1 3.87Å; I35-L70 HydrophobicContact CG2-CD2 4.45Å; I35-I82 HydrophobicContact CD1-CB 4.48Å; I35-I82 HydrophobicContact CD1-CD1 4.05Å; I35-I82 HydrophobicContact CD1-CG2 3.49Å; I35-I82 VanDerWaalsContact CD1-CG2 3.49Å; I35-I82 HydrophobicContact CG1-CD1 4.26Å; I35-I82 HydrophobicContact CG2-CD1 3.8Å |
| 36 | T | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.9 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | H20 I22 S24 L25 I34 I43 C44 W46 L396 | H20-T36 PolarHBondContact CE1-O 2.97Å; H20-T36 WeakPolarHBondContact NE2-CB 3.33Å; H20-T36 PolarHBondContact NE2-OG1 3.03Å; I22-T36 HydrophobicContact CD1-CG2 4.27Å; I22-T36 HydrophobicContact CG2-CG2 4.2Å; S24-T36 CarbonylContact O-C 3.56Å; S24-T36 VanDerWaalsContact O-CA 3.27Å; S24-T36 WeakPolarHBondContact O-CA 3.46Å; L25-T36 HydrophobicContact CD1-CG2 4.26Å; L25-T36 HydrophobicContact CG-CG2 4.38Å; I34-T36 HydrophobicContact CG2-CG2 4.45Å; T36-I43 CarbonylContact O-C 3.5Å; T36-I43 WeakPolarHBondContact O-CA 3.44Å; T36-C44 PolarHBondContact N-O 3.29Å; T36-C44 PolarHBondContact O-N 2.57Å; T36-C44 PolarHBondContact OG1-O 2.89Å; T36-W46 PolarHBondContact OG1-NE1 2.81Å; T36-L396 HydrophobicContact CG2-CD1 4.04Å; T36-L396 HydrophobicContact CG2-CD2 3.83Å; T36-L396 HydrophobicContact CG2-CG 4.36Å |
| 37 | G | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 149.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I22 S23 S24 | I22-G37 WeakPolarHBondContact CA-O 3.37Å; S23-G37 PolarHBondContact N-O 3.26Å; S23-G37 PolarHBondContact OG-O 2.95Å; S24-G37 PolarHBondContact N-O 3.27Å; S24-G37 PolarHBondContact O-N 3.37Å; S24-G37 WeakPolarHBondContact OG-CA 3.27Å; S24-G37 PolarHBondContact OG-N 2.77Å |
| 38 | C | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.1 | 178.7 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | H20 C21 S23 D40 G41 Q42 I67 | H20-C38 WeakPolarHBondContact ND1-CB 3.45Å; C21-C38 PolarHBondContact N-SG 3.27Å; C21-C38 CarbonylContact O-C 3.55Å; C21-C38 VanDerWaalsContact O-CA 3.23Å; C21-C38 WeakPolarHBondContact O-CA 3.2Å; S23-C38 VanDerWaalsContact OG-C 3.24Å; S23-C38 PolarHBondContact OG-O 2.9Å; C38-D40 PolarHBondContact O-N 2.97Å; C38-D40 PolarHBondContact SG-N 3.1Å; C38-G41 PolarHBondContact O-N 2.96Å; C38-G41 VanDerWaalsContact O-N 3.13Å; C38-Q42 HydrophobicContact CB-CB 4.18Å; C38-Q42 WeakPolarHBondContact CB-O 3.47Å; C38-Q42 PolarHBondContact N-O 2.99Å; C38-Q42 PolarHBondContact SG-OE1 3.2Å; C38-I67 PolarHBondContact O-N 2.87Å |
| 39 | H | 91 | Very high | 90.3 | Very high | 68 Ų | 68 | 18.9 Ų | 18.9 | 32% | 0.315 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.3 | 166.1 | -172.2 | 64.3 | 0 | 0 | 0 | 113 | C21 G41 S66 | C21-H39 HydrophobicContact CB-CB 4.07Å; C21-H39 PolarHBondContact O-N 3.36Å; H39-G41 VanDerWaalsContact C-N 3.32Å; H39-S66 PolarHBondContact ND1-OG 3.21Å; H39-S66 WeakPolarHBondContact O-CA 3.41Å; H39-S66 WeakPolarHBondContact O-CB 3.14Å; H39-S66 PolarHBondContact O-N 2.86Å |
| 40 | D | 87.1 | Confident | 90.2 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.1 | 177.3 | -61.8 | -36 | 0 | 0 | 0 | 112.8 | C38 Q42 N727 | C38-D40 PolarHBondContact O-N 2.97Å; C38-D40 PolarHBondContact SG-N 3.1Å; D40-Q42 PolarHBondContact O-NE2 3.16Å; D40-N727 PolarHBondContact OD2-ND2 3.1Å |
| 41 | G | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 91.2 | -0.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C38 H39 H63 A65 | C38-G41 PolarHBondContact O-N 2.96Å; C38-G41 VanDerWaalsContact O-N 3.13Å; H39-G41 VanDerWaalsContact C-N 3.32Å; G41-H63 WeakPolarHBondContact O-CB 3.44Å; G41-A65 WeakPolarHBondContact CA-O 3.38Å |
| 42 | Q | 93.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 22 Ų | 22 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 160.3 | 170.9 | -48.5 | 89 | 18.6 | 0 | 0 | 111.8 | C38 D40 M59 L60 F61 T726 | C38-Q42 HydrophobicContact CB-CB 4.18Å; C38-Q42 WeakPolarHBondContact CB-O 3.47Å; C38-Q42 PolarHBondContact N-O 2.99Å; C38-Q42 PolarHBondContact SG-OE1 3.2Å; D40-Q42 PolarHBondContact O-NE2 3.16Å; Q42-M59 HydrophobicContact CB-CG 4.2Å; Q42-M59 HydrophobicContact CB-SD 4.41Å; Q42-M59 HydrophobicContact CG-SD 4.47Å; Q42-L60 WeakPolarHBondContact CA-O 3.2Å; Q42-F61 HydrophobicContact CG-CD1 3.97Å; Q42-F61 HydrophobicContact CG-CE1 3.79Å; Q42-T726 HydrophobicContact CG-CG2 4.11Å; Q42-T726 PolarHBondContact NE2-O 2.96Å |
| 43 | I | 96.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.5 | 171.6 | -58.5 | 167.1 | 0 | 0 | 0 | 107.9 | I35 T36 M59 L60 I67 L70 S84 W94 | I35-I43 HydrophobicContact CG2-CG2 3.58Å; T36-I43 CarbonylContact O-C 3.5Å; T36-I43 WeakPolarHBondContact O-CA 3.44Å; I43-M59 CarbonylContact O-C 3.5Å; I43-M59 WeakPolarHBondContact O-CA 3.32Å; I43-L60 HydrophobicContact CB-CB 4.13Å; I43-L60 HydrophobicContact CB-CD1 4.28Å; I43-L60 HydrophobicContact CB-CG 4.36Å; I43-L60 HydrophobicContact CG2-CD1 4.18Å; I43-L60 PolarHBondContact N-O 3.3Å; I43-L60 PolarHBondContact O-N 3.12Å; I43-I67 HydrophobicContact CD1-CD1 4.48Å; I43-I67 HydrophobicContact CG1-CD1 4.26Å; I43-I67 HydrophobicContact CG1-CG1 4.1Å; I43-L70 HydrophobicContact CD1-CD2 4.4Å; I43-S84 VanDerWaalsContact CD1-CB 3.47Å; I43-W94 HydrophobicContact CD1-CZ2 4.35Å |
| 44 | C | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.3 | 174.3 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | T36 W46 | T36-C44 PolarHBondContact N-O 3.29Å; T36-C44 PolarHBondContact O-N 2.57Å; T36-C44 PolarHBondContact OG1-O 2.89Å; C44-W46 HydrophobicContact CB-CZ2 4.23Å |
| 45 | L | 94.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.8 | 172.3 | -56.5 | -178.5 | 0 | 0 | 0 | 108.9 | I35 R57 A58 L60 I82 | I35-L45 HydrophobicContact CB-CD2 4.41Å; I35-L45 HydrophobicContact CG1-CD2 3.73Å; I35-L45 HydrophobicContact CG2-CD2 4.11Å; L45-R57 HydrophobicContact CB-CB 4.41Å; L45-R57 WeakPolarHBondContact O-CA 3.46Å; L45-R57 WeakPolarHBondContact O-CB 3.28Å; L45-R57 PolarHBondContact O-N 3.26Å; L45-A58 HydrophobicContact CD1-CB 4.46Å; L45-A58 PolarHBondContact N-O 3.21Å; L45-A58 PolarHBondContact O-N 2.93Å; L45-L60 HydrophobicContact CD1-CD1 4.19Å; L45-L60 HydrophobicContact CD1-CD2 4.06Å; L45-L60 HydrophobicContact CD1-CG 4.38Å; L45-L60 HydrophobicContact CD2-CD1 4.2Å; L45-L60 HydrophobicContact CG-CD1 4.18Å; L45-L60 HydrophobicContact CG-CD2 4.43Å; L45-L60 HydrophobicContact CG-CG 4.29Å; L45-I82 HydrophobicContact CD2-CD1 4.49Å |
| 46 | W | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.5 | -179.5 | -47.5 | 78.3 | 0 | 0 | 0 | 110 | T33 I34 T36 C44 I54 C55 P56 L396 I422 L424 | T33-W46 CarbonylContact C-O 3.59Å; T33-W46 VanDerWaalsContact CA-O 3.28Å; T33-W46 WeakPolarHBondContact CA-O 3.44Å; I34-W46 HydrophobicContact CB-CB 4.15Å; I34-W46 PolarHBondContact N-O 2.84Å; I34-W46 PolarHBondContact O-N 2.86Å; T36-W46 PolarHBondContact OG1-NE1 2.81Å; C44-W46 HydrophobicContact CB-CZ2 4.23Å; W46-I54 HydrophobicContact CB-CG2 3.92Å; W46-I54 HydrophobicContact CD2-CG2 4.26Å; W46-I54 HydrophobicContact CE3-CG2 3.79Å; W46-I54 HydrophobicContact CG-CG2 4.35Å; W46-C55 CarbonylContact C-O 3.6Å; W46-C55 WeakPolarHBondContact CA-O 3.47Å; W46-P56 HydrophobicContact CD2-CB 4.46Å; W46-P56 HydrophobicContact CE3-CB 3.73Å; W46-P56 HydrophobicContact CE3-CG 4Å; W46-P56 HydrophobicContact CZ3-CB 3.76Å; W46-P56 HydrophobicContact CZ3-CG 3.71Å; W46-L396 HydrophobicContact CD2-CD1 3.55Å; W46-L396 VanDerWaalsContact CE2-CD1 3.42Å; W46-L396 HydrophobicContact CE3-CD1 4.02Å; W46-L396 HydrophobicContact CG-CD1 3.9Å; W46-L396 HydrophobicContact CH2-CD1 4.2Å; W46-L396 HydrophobicContact CZ2-CD1 3.79Å; W46-L396 HydrophobicContact CZ2-CG 4.46Å; W46-L396 HydrophobicContact CZ3-CD1 4.32Å; W46-I422 HydrophobicContact CZ3-CG2 4.14Å; W46-L424 HydrophobicContact CH2-CD2 3.43Å; W46-L424 VanDerWaalsContact CH2-CD2 3.43Å; W46-L424 HydrophobicContact CH2-CG 3.71Å; W46-L424 HydrophobicContact CZ2-CD2 3.99Å; W46-L424 HydrophobicContact CZ2-CG 4.23Å; W46-L424 HydrophobicContact CZ3-CD2 3.91Å |
| 47 | D | 88.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 136.3 | 170.5 | -63.6 | -30.1 | 0 | 0 | 0 | 109.4 | T32 I54 C55 R57 | T32-D47 CarbonylContact O-C 3.55Å; T32-D47 WeakPolarHBondContact O-CA 3.27Å; D47-I54 CarbonylContact O-C 3.57Å; D47-I54 WeakPolarHBondContact O-CA 3.17Å; D47-C55 PolarHBondContact N-O 3.05Å; D47-C55 PolarHBondContact O-N 3.23Å; D47-R57 WeakPolarHBondContact OD1-CD 3.44Å; D47-R57 IonicContact OD1-CZ 3.8Å; D47-R57 IonicContact OD1-NE 2.6Å; D47-R57 IonicContact OD1-NH1 3.81Å; D47-R57 PolarHBondContact OD1-NH1 2.79Å |
| 48 | M | 86.9 | Confident | 89.4 | Confident | 13 Ų | 13 | 24.5 Ų | 24.5 | 6% | 0.064 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.4 | 173.8 | -176 | 167.5 | 63.6 | 0 | 0 | 109.3 | F31 T32 I34 L52 Q53 L386 L398 | F31-M48 HydrophobicContact CB-CE 4.07Å; F31-M48 HydrophobicContact CD1-CE 4.35Å; F31-M48 WeakPolarHBondContact O-CE 3.3Å; T32-M48 PolarHBondContact O-N 3.4Å; I34-M48 HydrophobicContact CD1-CB 4.27Å; I34-M48 HydrophobicContact CD1-SD 4.07Å; I34-M48 HydrophobicContact CG1-CB 4.41Å; M48-L52 HydrophobicContact SD-CD2 4.21Å; M48-Q53 CarbonylContact C-O 3.58Å; M48-Q53 WeakPolarHBondContact CA-O 3.42Å; M48-L386 HydrophobicContact CE-CD1 3.82Å; M48-L386 HydrophobicContact SD-CD1 4.17Å; M48-L398 HydrophobicContact SD-CD2 4.05Å |
| 49 | T | 83.4 | Confident | 89.4 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | trans | -80.7 | 161.9 | 176.4 | 79.8 | 0 | 0 | 0 | 0 | 111.1 | E51 L52 Q53 | T49-E51 VanDerWaalsContact CB-OE2 3.26Å; T49-E51 WeakPolarHBondContact CB-OE2 3.21Å; T49-E51 PolarHBondContact O-N 2.8Å; T49-E51 VanDerWaalsContact O-N 3.13Å; T49-E51 PolarHBondContact OG1-N 3.23Å; T49-E51 PolarHBondContact OG1-OE2 3Å; T49-L52 PolarHBondContact O-N 3.03Å; T49-Q53 HydrophobicContact CG2-CB 4.42Å; T49-Q53 PolarHBondContact N-O 3.49Å; T49-Q53 PolarHBondContact OG1-N 2.76Å | ||
| 50 | P | 79.4 | Confident | 89.6 | Confident | 104 Ų | 104 | 21.3 Ų | 21.3 | 68% | 0.675 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.5 | 173 | -25.7 | 36 | 0 | 0 | 0 | 113.8 | L52 | P50-L52 PolarHBondContact O-N 2.85Š|
| 51 | E | 80.4 | Confident | 89.8 | Confident | 104 Ų | 104 | 20.6 Ų | 20.6 | 49% | 0.486 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 15.9 | 174.2 | -52 | 74.6 | -159.1 | 0 | 0 | 113.4 | T49 Q53 | T49-E51 VanDerWaalsContact CB-OE2 3.26Å; T49-E51 WeakPolarHBondContact CB-OE2 3.21Å; T49-E51 PolarHBondContact O-N 2.8Å; T49-E51 VanDerWaalsContact O-N 3.13Å; T49-E51 PolarHBondContact OG1-N 3.23Å; T49-E51 PolarHBondContact OG1-OE2 3Å; E51-Q53 PolarHBondContact O-N 2.9Å |
| 52 | L | 84.5 | Confident | 89.6 | Confident | 22 Ų | 22 | 21.1 Ų | 21.1 | 12% | 0.115 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 60 | 27.1 | 179.1 | -58.5 | -179.9 | 0 | 0 | 0 | 114 | M48 T49 P50 L386 L398 S420 | M48-L52 HydrophobicContact SD-CD2 4.21Å; T49-L52 PolarHBondContact O-N 3.03Å; P50-L52 PolarHBondContact O-N 2.85Å; L52-L386 HydrophobicContact CD1-CD2 4.18Å; L52-L386 HydrophobicContact CD2-CD1 4.13Å; L52-L386 HydrophobicContact CD2-CD2 3.95Å; L52-L398 HydrophobicContact CB-CD2 3.73Å; L52-L398 HydrophobicContact CD2-CD2 4.23Å; L52-L398 HydrophobicContact CG-CD2 4.4Å; L52-L398 WeakPolarHBondContact O-CD2 3.38Å; L52-S420 VanDerWaalsContact O-CB 3.24Å; L52-S420 WeakPolarHBondContact O-CB 3.28Å; L52-S420 PolarHBondContact O-OG 2.79Å |
| 53 | Q | 85.3 | Confident | 89.5 | Confident | 60 Ų | 60 | 21.3 Ų | 21.3 | 28% | 0.28 | 12% | 0.115 | S | C | . | . | trans | -93 | 136.1 | 174.2 | -69.5 | 171.4 | -8.3 | 0 | 0 | 110.5 | M48 T49 E51 | M48-Q53 CarbonylContact C-O 3.58Å; M48-Q53 WeakPolarHBondContact CA-O 3.42Å; T49-Q53 HydrophobicContact CG2-CB 4.42Å; T49-Q53 PolarHBondContact N-O 3.49Å; T49-Q53 PolarHBondContact OG1-N 2.76Å; E51-Q53 PolarHBondContact O-N 2.9Å | ||
| 54 | I | 89.7 | Confident | 89.1 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.9 | -175.1 | -56.8 | 171.5 | 0 | 0 | 0 | 108.6 | I34 W46 D47 L396 L398 I422 | I34-I54 HydrophobicContact CD1-CD1 3.92Å; I34-I54 HydrophobicContact CD1-CG1 4.03Å; I34-I54 HydrophobicContact CD1-CG2 4.42Å; W46-I54 HydrophobicContact CB-CG2 3.92Å; W46-I54 HydrophobicContact CD2-CG2 4.26Å; W46-I54 HydrophobicContact CE3-CG2 3.79Å; W46-I54 HydrophobicContact CG-CG2 4.35Å; D47-I54 CarbonylContact O-C 3.57Å; D47-I54 WeakPolarHBondContact O-CA 3.17Å; I54-L396 HydrophobicContact CD1-CB 4.4Å; I54-L396 HydrophobicContact CG2-CD1 4.29Å; I54-L398 HydrophobicContact CD1-CB 4.09Å; I54-L398 HydrophobicContact CD1-CD2 4.33Å; I54-I422 HydrophobicContact CB-CG2 3.75Å; I54-I422 HydrophobicContact CG2-CG2 3.78Å; I54-I422 VanDerWaalsContact O-CD1 3.27Å; I54-I422 WeakPolarHBondContact O-CD1 3.44Å |
| 55 | C | 88.5 | Confident | 88.8 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.6 | 177.9 | -68.6 | 0 | 0 | 0 | 0 | 110 | W46 D47 R57 | W46-C55 CarbonylContact C-O 3.6Å; W46-C55 WeakPolarHBondContact CA-O 3.47Å; D47-C55 PolarHBondContact N-O 3.05Å; D47-C55 PolarHBondContact O-N 3.23Å; C55-R57 PolarHBondContact O-N 3.29Å |
| 56 | P | 92 | Very high | 88.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.2 | 175.3 | 6.5 | -3 | 0 | 0 | 0 | 111.2 | W46 L424 A427 L880 T882 F883 | W46-P56 HydrophobicContact CD2-CB 4.46Å; W46-P56 HydrophobicContact CE3-CB 3.73Å; W46-P56 HydrophobicContact CE3-CG 4Å; W46-P56 HydrophobicContact CZ3-CB 3.76Å; W46-P56 HydrophobicContact CZ3-CG 3.71Å; P56-L424 HydrophobicContact CB-CD2 3.7Å; P56-L424 HydrophobicContact CG-CD2 3.93Å; P56-A427 HydrophobicContact CG-CB 3.5Å; P56-L880 HydrophobicContact CB-CD1 3.56Å; P56-T882 HydrophobicContact CG-CG2 4.11Å; P56-T882 WeakPolarHBondContact CG-OG1 3.12Å; P56-T882 WeakPolarHBondContact O-CB 3.21Å; P56-T882 PolarHBondContact O-OG1 3.17Å; P56-F883 PolarHBondContact O-N 3.36Å |
| 57 | R | 89.1 | Confident | 88.9 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -58.1 | -179.2 | 170.7 | 166.6 | 85.4 | -146.5 | 3.5 | 112.8 | T33 L45 D47 C55 V96 L880 F883 | T33-R57 PolarHBondContact OG1-NH1 2.69Å; L45-R57 HydrophobicContact CB-CB 4.41Å; L45-R57 WeakPolarHBondContact O-CA 3.46Å; L45-R57 WeakPolarHBondContact O-CB 3.28Å; L45-R57 PolarHBondContact O-N 3.26Å; D47-R57 WeakPolarHBondContact OD1-CD 3.44Å; D47-R57 IonicContact OD1-CZ 3.8Å; D47-R57 IonicContact OD1-NE 2.6Å; D47-R57 IonicContact OD1-NH1 3.81Å; D47-R57 PolarHBondContact OD1-NH1 2.79Å; C55-R57 PolarHBondContact O-N 3.29Å; R57-V96 PolarHBondContact NH2-O 3.26Å; R57-L880 PolarHBondContact O-N 3.45Å; R57-F883 HydrophobicContact CB-CD2 3.98Å; R57-F883 HydrophobicContact CG-CD2 3.41Å; R57-F883 VanDerWaalsContact CG-CD2 3.41Å; R57-F883 HydrophobicContact CG-CE2 3.9Å; R57-F883 HydrophobicContact CG-CG 4.19Å |
| 58 | A | 92.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 156.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L45 L878 | L45-A58 HydrophobicContact CD1-CB 4.46Å; L45-A58 PolarHBondContact N-O 3.21Å; L45-A58 PolarHBondContact O-N 2.93Å; A58-L878 CarbonylContact C-O 3.53Å; A58-L878 VanDerWaalsContact CA-O 3.29Å; A58-L878 WeakPolarHBondContact CA-O 3.18Å; A58-L878 WeakPolarHBondContact CB-O 3.5Å |
| 59 | M | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.4 | 174.7 | -172.1 | 172.5 | -76.2 | 0 | 0 | 109.8 | P18 Q42 I43 F61 L424 T726 L878 | P18-M59 HydrophobicContact CB-CE 3.88Å; P18-M59 HydrophobicContact CB-SD 4.16Å; P18-M59 HydrophobicContact CG-CE 3.39Å; P18-M59 HydrophobicContact CG-SD 4Å; Q42-M59 HydrophobicContact CB-CG 4.2Å; Q42-M59 HydrophobicContact CB-SD 4.41Å; Q42-M59 HydrophobicContact CG-SD 4.47Å; I43-M59 CarbonylContact O-C 3.5Å; I43-M59 WeakPolarHBondContact O-CA 3.32Å; M59-F61 HydrophobicContact CB-CE2 4.04Å; M59-F61 HydrophobicContact CB-CZ 4.49Å; M59-F61 HydrophobicContact CG-CD2 4.45Å; M59-F61 HydrophobicContact CG-CE2 3.69Å; M59-F61 HydrophobicContact CG-CZ 3.78Å; M59-F61 HydrophobicContact SD-CE1 4.27Å; M59-F61 HydrophobicContact SD-CE2 4.02Å; M59-F61 HydrophobicContact SD-CZ 3.52Å; M59-F61 VanDerWaalsContact SD-CZ 3.52Å; M59-L424 HydrophobicContact CE-CD1 3.88Å; M59-T726 HydrophobicContact SD-CG2 3.76Å; M59-L878 PolarHBondContact N-O 3.26Å; M59-L878 PolarHBondContact O-N 3.11Å |
| 60 | L | 95.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.8 | -177.8 | -40.4 | -179.6 | 0 | 0 | 0 | 109.6 | Q42 I43 L45 W94 M876 S877 | Q42-L60 WeakPolarHBondContact CA-O 3.2Å; I43-L60 HydrophobicContact CB-CB 4.13Å; I43-L60 HydrophobicContact CB-CD1 4.28Å; I43-L60 HydrophobicContact CB-CG 4.36Å; I43-L60 HydrophobicContact CG2-CD1 4.18Å; I43-L60 PolarHBondContact N-O 3.3Å; I43-L60 PolarHBondContact O-N 3.12Å; L45-L60 HydrophobicContact CD1-CD1 4.19Å; L45-L60 HydrophobicContact CD1-CD2 4.06Å; L45-L60 HydrophobicContact CD1-CG 4.38Å; L45-L60 HydrophobicContact CD2-CD1 4.2Å; L45-L60 HydrophobicContact CG-CD1 4.18Å; L45-L60 HydrophobicContact CG-CD2 4.43Å; L45-L60 HydrophobicContact CG-CG 4.29Å; L60-W94 HydrophobicContact CB-CE3 4.27Å; L60-W94 HydrophobicContact CB-CH2 4.16Å; L60-W94 HydrophobicContact CB-CZ3 3.97Å; L60-W94 HydrophobicContact CD1-CB 4.41Å; L60-W94 HydrophobicContact CD1-CD2 3.9Å; L60-W94 HydrophobicContact CD1-CE3 3.86Å; L60-W94 HydrophobicContact CD1-CG 4.16Å; L60-W94 HydrophobicContact CD1-CZ3 4.41Å; L60-M876 CarbonylContact C-O 3.57Å; L60-M876 WeakPolarHBondContact CA-O 3.44Å; L60-S877 WeakPolarHBondContact CD2-OG 3.46Å |
| 61 | F | 92.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 112 | 179.6 | -63.2 | -94.7 | 0 | 0 | 0 | 108.3 | Q42 M59 T726 H875 M876 L878 | Q42-F61 HydrophobicContact CG-CD1 3.97Å; Q42-F61 HydrophobicContact CG-CE1 3.79Å; M59-F61 HydrophobicContact CB-CE2 4.04Å; M59-F61 HydrophobicContact CB-CZ 4.49Å; M59-F61 HydrophobicContact CG-CD2 4.45Å; M59-F61 HydrophobicContact CG-CE2 3.69Å; M59-F61 HydrophobicContact CG-CZ 3.78Å; M59-F61 HydrophobicContact SD-CE1 4.27Å; M59-F61 HydrophobicContact SD-CE2 4.02Å; M59-F61 HydrophobicContact SD-CZ 3.52Å; M59-F61 VanDerWaalsContact SD-CZ 3.52Å; F61-T726 HydrophobicContact CE1-CG2 3.83Å; F61-T726 HydrophobicContact CZ-CG2 4.03Å; F61-H875 CarbonylContact O-C 3.55Å; F61-H875 VanDerWaalsContact O-CA 3.28Å; F61-H875 WeakPolarHBondContact O-CA 3.46Å; F61-M876 HydrophobicContact CB-CB 4.36Å; F61-M876 HydrophobicContact CB-CE 4.4Å; F61-M876 PolarHBondContact N-O 2.56Å; F61-M876 PolarHBondContact O-N 2.85Å; F61-L878 HydrophobicContact CD2-CD1 3.94Å; F61-L878 HydrophobicContact CD2-CG 4.02Å; F61-L878 HydrophobicContact CE2-CB 4.3Å; F61-L878 HydrophobicContact CE2-CD1 3.39Å; F61-L878 HydrophobicContact CE2-CG 3.8Å; F61-L878 HydrophobicContact CZ-CD1 4.14Å |
| 62 | G | 86.3 | Confident | 91.1 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 13% | 0.134 | 13% | 0.125 | C | C | . | . | trans | -158.8 | -17.2 | 175 | 0 | 0 | 0 | 0 | 0 | 116.7 | H875 | G62-H875 WeakPolarHBondContact CA-ND1 3.38Å; G62-H875 PolarHBondContact O-CE1 3.2Å; G62-H875 VanDerWaalsContact O-CE1 3.25Å; G62-H875 PolarHBondContact O-ND1 2.95Å | ||
| 63 | H | 90.9 | Very high | 91.3 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | trans | -102.7 | 151.8 | 175.2 | -60 | -83.7 | 0 | 0 | 0 | 111 | G41 I67 S84 E90 C92 | G41-H63 WeakPolarHBondContact O-CB 3.44Å; H63-I67 HydrophobicContact CB-CD1 3.64Å; H63-I67 WeakPolarHBondContact CD2-CD1 3.37Å; H63-I67 VanDerWaalsContact CG-CD1 3.42Å; H63-S84 PolarHBondContact NE2-OG 2.83Å; H63-E90 WeakPolarHBondContact CA-OE2 3.36Å; H63-E90 PolarHBondContact CE1-O 3.35Å; H63-E90 WeakPolarHBondContact ND1-CB 3.49Å; H63-E90 IonicContact ND1-OE2 3.59Å; H63-C92 PolarHBondContact CE1-SG 2.62Å; H63-C92 PolarHBondContact NE2-SG 2.99Å; H63-C92 VanDerWaalsContact NE2-SG 3.43Å | ||
| 64 | T | 88.8 | Confident | 91 | Very high | 109 Ų | 109 | 19.1 Ų | 19.1 | 67% | 0.669 | 12% | 0.115 | S | C | * | . | S | Bend | trans | -99.1 | -9 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | E90 | T64-E90 PolarHBondContact N-OE2 3.43Å; T64-E90 VanDerWaalsContact OG1-CD 3.31Å; T64-E90 PolarHBondContact OG1-OE1 2.75Å; T64-E90 PolarHBondContact OG1-OE2 3.14Å |
| 65 | A | 89.4 | Confident | 89.8 | Confident | 24 Ų | 24 | 21.4 Ų | 21.4 | 20% | 0.198 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -138.4 | 170.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G41 I67 E87 | G41-A65 WeakPolarHBondContact CA-O 3.38Å; A65-I67 PolarHBondContact O-N 2.85Å; A65-E87 HydrophobicContact CB-CB 4.38Å |
| 66 | S | 92.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | trans | -47.9 | 131.3 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | H39 T68 S86 E87 | H39-S66 PolarHBondContact ND1-OG 3.21Å; H39-S66 WeakPolarHBondContact O-CA 3.41Å; H39-S66 WeakPolarHBondContact O-CB 3.14Å; H39-S66 PolarHBondContact O-N 2.86Å; S66-T68 PolarHBondContact O-N 3.45Å; S66-S86 CarbonylContact O-C 3.43Å; S66-S86 VanDerWaalsContact O-CA 3.23Å; S66-S86 WeakPolarHBondContact O-CA 3.36Å; S66-E87 PolarHBondContact O-N 2.63Å | ||
| 67 | I | 96 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.6 | 173.6 | -53.3 | -56.2 | 0 | 0 | 0 | 108.5 | S23 S24 C38 I43 H63 A65 L70 | S23-I67 WeakPolarHBondContact CB-O 3.49Å; S23-I67 PolarHBondContact OG-O 3.13Å; S24-I67 WeakPolarHBondContact OG-CG2 3.47Å; C38-I67 PolarHBondContact O-N 2.87Å; I43-I67 HydrophobicContact CD1-CD1 4.48Å; I43-I67 HydrophobicContact CG1-CD1 4.26Å; I43-I67 HydrophobicContact CG1-CG1 4.1Å; H63-I67 HydrophobicContact CB-CD1 3.64Å; H63-I67 WeakPolarHBondContact CD2-CD1 3.37Å; H63-I67 VanDerWaalsContact CG-CD1 3.42Å; A65-I67 PolarHBondContact O-N 2.85Å; I67-L70 HydrophobicContact CG2-CD2 4.04Å; I67-L70 HydrophobicContact CG2-CG 4.15Å |
| 68 | T | 93.1 | Very high | 85.8 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -37.1 | -175.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | S66 A85 E87 H111 | S66-T68 PolarHBondContact O-N 3.45Å; T68-A85 PolarHBondContact N-O 3.47Å; T68-A85 PolarHBondContact OG1-O 3.2Å; T68-E87 HydrophobicContact CG2-CB 3.95Å; T68-H111 VanDerWaalsContact CB-O 3.24Å; T68-H111 WeakPolarHBondContact CB-O 3.19Å; T68-H111 PolarHBondContact OG1-O 2.89Å |
| 69 | C | 92.6 | Very high | 84.8 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 153.9 | -179.7 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | A85 I114 | C69-A85 PolarHBondContact O-N 3.44Å; C69-I114 VanDerWaalsContact SG-CD1 3.57Å; C69-I114 VanDerWaalsContact SG-CG1 3.58Å |
| 70 | L | 95.6 | Very high | 84.4 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.6 | 179.4 | -68.5 | 170 | 0 | 0 | 0 | 108.9 | S24 L26 I35 I43 I67 V83 | S24-L70 WeakPolarHBondContact OG-CD1 3.36Å; L26-L70 HydrophobicContact CB-CB 4.04Å; L26-L70 HydrophobicContact CB-CD1 4.41Å; L26-L70 HydrophobicContact CD2-CB 4.27Å; I35-L70 HydrophobicContact CG2-CD1 3.87Å; I35-L70 HydrophobicContact CG2-CD2 4.45Å; I43-L70 HydrophobicContact CD1-CD2 4.4Å; I67-L70 HydrophobicContact CG2-CD2 4.04Å; I67-L70 HydrophobicContact CG2-CG 4.15Å; L70-V83 WeakPolarHBondContact CA-O 3.37Å |
| 71 | S | 94.1 | Very high | 84.3 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.4 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I82 V83 I114 F116 | S71-I82 CarbonylContact O-C 3.51Å; S71-I82 WeakPolarHBondContact O-CA 3.41Å; S71-V83 PolarHBondContact N-O 3.15Å; S71-V83 PolarHBondContact O-N 2.83Å; S71-I114 VanDerWaalsContact CB-CG2 3.47Å; S71-F116 PolarHBondContact OG-N 3.4Å |
| 72 | K | 91.1 | Very high | 84.4 | Confident | 33 Ų | 33 | 38.8 Ų | 38.8 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 157.1 | 165.9 | -55.4 | -177.9 | -167.9 | -175.5 | 0 | 109.2 | L26 V27 M28 D29 F116 | L26-K72 HydrophobicContact CD1-CG 4.19Å; L26-K72 HydrophobicContact CD2-CG 4.07Å; V27-K72 WeakPolarHBondContact O-CE 3.43Å; V27-K72 PolarHBondContact O-NZ 3.21Å; M28-K72 HydrophobicContact CE-CD 4.32Å; M28-K72 HydrophobicContact CE-CG 4.17Å; M28-K72 HydrophobicContact SD-CD 4.48Å; M28-K72 HydrophobicContact SD-CG 4.14Å; D29-K72 VanDerWaalsContact N-NZ 3.12Å; D29-K72 IonicContact OD1-NZ 2.78Å; D29-K72 PolarHBondContact OD1-NZ 2.47Å; D29-K72 IonicContact OD2-NZ 3.4Å; K72-F116 VanDerWaalsContact O-CB 3.28Å; K72-F116 WeakPolarHBondContact O-CB 3.43Å; K72-F116 VanDerWaalsContact O-CD2 3.31Å; K72-F116 WeakPolarHBondContact O-CD2 3.34Å; K72-F116 WeakPolarHBondContact O-CG 3.33Å |
| 73 | A | 87.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | -130.1 | 1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y81 V83 L93 F116 A143 | A73-Y81 PolarHBondContact N-O 2.78Å; A73-V83 HydrophobicContact CB-CG2 3.86Å; A73-L93 HydrophobicContact CB-CD1 3.62Å; A73-F116 VanDerWaalsContact O-CE2 3.28Å; A73-F116 WeakPolarHBondContact O-CE2 3.19Å; A73-A143 HydrophobicContact CB-CB 4.33Å | ||
| 74 | S | 80.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | trans | -136.6 | 142.3 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | S76 K79 | S74-S76 PolarHBondContact OG-N 3.43Å; S74-K79 WeakPolarHBondContact CB-O 3.3Å; S74-K79 PolarHBondContact OG-O 2.9Å | ||
| 75 | A | 63.8 | Low | 85.4 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 46% | 0.463 | 19% | 0.189 | S | C | . | . | trans | -95 | -11.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F116 L118 | A75-F116 HydrophobicContact CB-CE1 4.09Å; A75-F116 HydrophobicContact CB-CZ 4.48Å; A75-L118 HydrophobicContact CB-CD1 3.67Å; A75-L118 HydrophobicContact CB-CD2 3.58Å; A75-L118 HydrophobicContact CB-CG 4.14Å | ||
| 76 | S | 64.8 | Low | 85.7 | Confident | 56 Ų | 56 | 31.1 Ų | 31.1 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | trans | -90.2 | 142.9 | -177 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | S74 D78 Q80 | S74-S76 PolarHBondContact OG-N 3.43Å; S76-D78 PolarHBondContact O-N 2.96Å; S76-D78 PolarHBondContact OG-N 3.19Å; S76-Q80 PolarHBondContact O-NE2 2.81Å; S76-Q80 VanDerWaalsContact O-NE2 3.07Å | ||
| 77 | S | 61.2 | Low | 85.6 | Confident | 73 Ų | 73 | 36.2 Ų | 36.2 | 51% | 0.51 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -63.6 | -28.3 | 171.3 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | Q80 | S77-Q80 VanDerWaalsContact C-NE2 3.34Å; S77-Q80 VanDerWaalsContact CA-NE2 3.28Å; S77-Q80 PolarHBondContact O-NE2 2.8Å |
| 78 | D | 58.9 | Low | 85.2 | Confident | 134 Ų | 134 | 38 Ų | 38 | 72% | 0.717 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -80.7 | -25.1 | -165 | -62.1 | -3.3 | 0 | 0 | 0 | 112.9 | S76 | S76-D78 PolarHBondContact O-N 2.96Å; S76-D78 PolarHBondContact OG-N 3.19Å |
| 79 | K | 72.1 | Confident | 85 | Confident | 124 Ų | 124 | 36 Ų | 36 | 54% | 0.539 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -133.4 | 107.4 | 177.1 | -71.2 | 178.6 | 171 | -170.6 | 0 | 108.8 | S74 Y81 | S74-K79 WeakPolarHBondContact CB-O 3.3Å; S74-K79 PolarHBondContact OG-O 2.9Å; K79-Y81 HydrophobicContact CB-CD2 4.28Å; K79-Y81 HydrophobicContact CB-CE2 3.63Å; K79-Y81 HydrophobicContact CD-CE2 4.07Å; K79-Y81 WeakPolarHBondContact CD-OH 3.38Å; K79-Y81 HydrophobicContact CG-CE2 4.37Å |
| 80 | Q | 86.3 | Confident | 85 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | trans | -93.2 | 112.7 | 179.9 | -64.5 | -57 | -43.2 | 0 | 0 | 108.8 | M28 S76 S77 V96 | M28-Q80 HydrophobicContact CE-CB 4.11Å; S76-Q80 PolarHBondContact O-NE2 2.81Å; S76-Q80 VanDerWaalsContact O-NE2 3.07Å; S77-Q80 VanDerWaalsContact C-NE2 3.34Å; S77-Q80 VanDerWaalsContact CA-NE2 3.28Å; S77-Q80 PolarHBondContact O-NE2 2.8Å; Q80-V96 HydrophobicContact CB-CB 3.78Å; Q80-V96 HydrophobicContact CB-CG1 4.4Å; Q80-V96 HydrophobicContact CB-CG2 4.05Å; Q80-V96 WeakPolarHBondContact O-CB 3.21Å; Q80-V96 WeakPolarHBondContact O-CG2 3.46Å; Q80-V96 PolarHBondContact O-N 3.21Å | ||
| 81 | Y | 91.4 | Very high | 84.9 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145 | 179.2 | -63.9 | -53.3 | 0 | 0 | 0 | 110.9 | A73 K79 W94 D95 I102 | A73-Y81 PolarHBondContact N-O 2.78Å; K79-Y81 HydrophobicContact CB-CD2 4.28Å; K79-Y81 HydrophobicContact CB-CE2 3.63Å; K79-Y81 HydrophobicContact CD-CE2 4.07Å; K79-Y81 WeakPolarHBondContact CD-OH 3.38Å; K79-Y81 HydrophobicContact CG-CE2 4.37Å; Y81-W94 WeakPolarHBondContact CA-O 3.45Å; Y81-D95 HydrophobicContact CD1-CB 4.24Å; Y81-D95 HydrophobicContact CE1-CB 3.97Å; Y81-D95 WeakPolarHBondContact CE1-OD2 3.18Å; Y81-I102 HydrophobicContact CD1-CD1 3.46Å; Y81-I102 VanDerWaalsContact CD1-CD1 3.46Å; Y81-I102 HydrophobicContact CE1-CD1 3.16Å; Y81-I102 HydrophobicContact CG-CD1 4.49Å |
| 82 | I | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.4 | 176.9 | 61.6 | 165.8 | 0 | 0 | 0 | 110 | L26 M28 I35 L45 S71 L93 W94 V96 | L26-I82 HydrophobicContact CD2-CG2 4.13Å; M28-I82 HydrophobicContact CE-CG2 4.1Å; M28-I82 HydrophobicContact SD-CG2 3.52Å; M28-I82 VanDerWaalsContact SD-CG2 3.52Å; I35-I82 HydrophobicContact CD1-CB 4.48Å; I35-I82 HydrophobicContact CD1-CD1 4.05Å; I35-I82 HydrophobicContact CD1-CG2 3.49Å; I35-I82 VanDerWaalsContact CD1-CG2 3.49Å; I35-I82 HydrophobicContact CG1-CD1 4.26Å; I35-I82 HydrophobicContact CG2-CD1 3.8Å; L45-I82 HydrophobicContact CD2-CD1 4.49Å; S71-I82 CarbonylContact O-C 3.51Å; S71-I82 WeakPolarHBondContact O-CA 3.41Å; I82-L93 WeakPolarHBondContact O-CA 3.04Å; I82-W94 HydrophobicContact CD1-CB 4.21Å; I82-W94 HydrophobicContact CD1-CG 4.47Å; I82-W94 HydrophobicContact CG1-CB 3.73Å; I82-W94 HydrophobicContact CG1-CG 4.26Å; I82-W94 PolarHBondContact N-O 2.88Å; I82-W94 PolarHBondContact O-N 2.78Å; I82-V96 HydrophobicContact CB-CG2 4.26Å; I82-V96 HydrophobicContact CG1-CG2 4.06Å; I82-V96 HydrophobicContact CG2-CG2 3.42Å; I82-V96 VanDerWaalsContact CG2-CG2 3.42Å |
| 83 | V | 95.8 | Very high | 85 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.8 | 168.6 | 171.6 | 0 | 0 | 0 | 0 | 109.1 | L70 S71 A73 M91 C92 L93 I114 L129 L146 | L70-V83 WeakPolarHBondContact CA-O 3.37Å; S71-V83 PolarHBondContact N-O 3.15Å; S71-V83 PolarHBondContact O-N 2.83Å; A73-V83 HydrophobicContact CB-CG2 3.86Å; V83-M91 HydrophobicContact CG1-CE 3.66Å; V83-C92 VanDerWaalsContact CA-O 3.31Å; V83-C92 WeakPolarHBondContact CA-O 3.06Å; V83-L93 HydrophobicContact CG2-CB 4.34Å; V83-L93 HydrophobicContact CG2-CD1 3.64Å; V83-I114 HydrophobicContact CG1-CD1 4.41Å; V83-L129 HydrophobicContact CB-CD1 4.09Å; V83-L129 HydrophobicContact CG1-CD1 4.01Å; V83-L129 HydrophobicContact CG2-CD1 3.84Å; V83-L146 HydrophobicContact CG1-CD2 4.24Å; V83-L146 HydrophobicContact CG2-CD2 3.73Å |
| 84 | S | 96.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.5 | 174 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | I43 H63 M91 C92 W94 | I43-S84 VanDerWaalsContact CD1-CB 3.47Å; H63-S84 PolarHBondContact NE2-OG 2.83Å; S84-M91 WeakPolarHBondContact O-CA 3.49Å; S84-C92 PolarHBondContact N-O 2.92Å; S84-C92 PolarHBondContact O-N 2.81Å; S84-C92 PolarHBondContact OG-O 3.13Å; S84-W94 PolarHBondContact OG-NE1 2.97Å |
| 85 | A | 95.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T68 C69 E90 M91 H111 I114 | T68-A85 PolarHBondContact N-O 3.47Å; T68-A85 PolarHBondContact OG1-O 3.2Å; C69-A85 PolarHBondContact O-N 3.44Å; A85-E90 CarbonylContact C-O 3.56Å; A85-E90 VanDerWaalsContact CA-O 3.27Å; A85-E90 WeakPolarHBondContact CA-O 3.33Å; A85-M91 HydrophobicContact CB-CG 4.07Å; A85-H111 HydrophobicContact CB-CB 4.12Å; A85-I114 HydrophobicContact CB-CD1 3.71Å |
| 86 | S | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 165.2 | 178.4 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | S66 S88 G89 E90 | S66-S86 CarbonylContact O-C 3.43Å; S66-S86 VanDerWaalsContact O-CA 3.23Å; S66-S86 WeakPolarHBondContact O-CA 3.36Å; S86-S88 PolarHBondContact O-N 3.33Å; S86-S88 PolarHBondContact OG-N 3.34Å; S86-S88 PolarHBondContact OG-OG 3.38Å; S86-G89 PolarHBondContact O-N 3.03Å; S86-G89 VanDerWaalsContact O-N 3.08Å; S86-E90 PolarHBondContact N-O 3.45Å; S86-E90 WeakPolarHBondContact OG-CB 3.22Å; S86-E90 PolarHBondContact OG-N 2.89Å |
| 87 | E | 91.2 | Very high | 87.8 | Confident | 122 Ų | 122 | 32.8 Ų | 32.8 | 57% | 0.57 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.4 | 173.8 | -171.9 | 175.8 | -178.1 | 0 | 0 | 112.9 | A65 S66 T68 G89 A110 | A65-E87 HydrophobicContact CB-CB 4.38Å; S66-E87 PolarHBondContact O-N 2.63Å; T68-E87 HydrophobicContact CG2-CB 3.95Å; E87-G89 PolarHBondContact O-N 2.65Å; E87-A110 WeakPolarHBondContact O-CB 3.22Å |
| 88 | S | 86.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 30.3 Ų | 30.3 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.2 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | S86 E90 K106 | S86-S88 PolarHBondContact O-N 3.33Å; S86-S88 PolarHBondContact OG-N 3.34Å; S86-S88 PolarHBondContact OG-OG 3.38Å; S88-E90 VanDerWaalsContact C-N 3.35Å; S88-E90 WeakPolarHBondContact OG-CG 3.43Å; S88-E90 PolarHBondContact OG-OE2 3.09Å; S88-E90 VanDerWaalsContact OG-OE2 3.14Å; S88-K106 VanDerWaalsContact O-CE 3.23Å; S88-K106 WeakPolarHBondContact O-CE 3.28Å |
| 89 | G | 89 | Confident | 90.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 82.2 | 8.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S86 E87 K106 L107 | S86-G89 PolarHBondContact O-N 3.03Å; S86-G89 VanDerWaalsContact O-N 3.08Å; E87-G89 PolarHBondContact O-N 2.65Å; G89-K106 WeakPolarHBondContact O-CA 3.26Å; G89-L107 PolarHBondContact O-N 3.44Å |
| 90 | E | 92.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.065 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.6 | 176.7 | -63.4 | 164.2 | 166 | 0 | 0 | 109.9 | H63 T64 A85 S86 S88 F104 K106 | H63-E90 WeakPolarHBondContact CA-OE2 3.36Å; H63-E90 PolarHBondContact CE1-O 3.35Å; H63-E90 WeakPolarHBondContact ND1-CB 3.49Å; H63-E90 IonicContact ND1-OE2 3.59Å; T64-E90 PolarHBondContact N-OE2 3.43Å; T64-E90 VanDerWaalsContact OG1-CD 3.31Å; T64-E90 PolarHBondContact OG1-OE1 2.75Å; T64-E90 PolarHBondContact OG1-OE2 3.14Å; A85-E90 CarbonylContact C-O 3.56Å; A85-E90 VanDerWaalsContact CA-O 3.27Å; A85-E90 WeakPolarHBondContact CA-O 3.33Å; S86-E90 PolarHBondContact N-O 3.45Å; S86-E90 WeakPolarHBondContact OG-CB 3.22Å; S86-E90 PolarHBondContact OG-N 2.89Å; S88-E90 VanDerWaalsContact C-N 3.35Å; S88-E90 WeakPolarHBondContact OG-CG 3.43Å; S88-E90 PolarHBondContact OG-OE2 3.09Å; S88-E90 VanDerWaalsContact OG-OE2 3.14Å; E90-F104 HydrophobicContact CB-CE2 3.96Å; E90-F104 HydrophobicContact CB-CZ 4.5Å; E90-F104 HydrophobicContact CG-CE2 4.02Å; E90-F104 HydrophobicContact CG-CZ 4.12Å; E90-K106 HydrophobicContact CG-CD 4.08Å; E90-K106 HydrophobicContact CG-CG 4.14Å; E90-K106 IonicContact OE1-NZ 3Å |
| 91 | M | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.7 | 173.2 | -66.1 | -174.9 | 71.8 | 0 | 0 | 110 | V83 S84 A85 F104 T105 L107 H111 I114 L129 L146 | V83-M91 HydrophobicContact CG1-CE 3.66Å; S84-M91 WeakPolarHBondContact O-CA 3.49Å; A85-M91 HydrophobicContact CB-CG 4.07Å; M91-F104 WeakPolarHBondContact O-CA 3.49Å; M91-T105 HydrophobicContact CB-CG2 3.8Å; M91-T105 PolarHBondContact N-O 3.17Å; M91-T105 PolarHBondContact O-N 3.3Å; M91-L107 HydrophobicContact SD-CD1 3.66Å; M91-H111 VanDerWaalsContact SD-CD2 3.55Å; M91-H111 PolarHBondContact SD-NE2 2.88Å; M91-H111 VanDerWaalsContact SD-NE2 3.39Å; M91-I114 HydrophobicContact CE-CD1 4.05Å; M91-L129 HydrophobicContact CE-CD1 4.42Å; M91-L146 HydrophobicContact CB-CD1 4.28Å |
| 92 | C | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.9 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | H63 V83 S84 W94 E103 F104 | H63-C92 PolarHBondContact CE1-SG 2.62Å; H63-C92 PolarHBondContact NE2-SG 2.99Å; H63-C92 VanDerWaalsContact NE2-SG 3.43Å; V83-C92 VanDerWaalsContact CA-O 3.31Å; V83-C92 WeakPolarHBondContact CA-O 3.06Å; S84-C92 PolarHBondContact N-O 2.92Å; S84-C92 PolarHBondContact O-N 2.81Å; S84-C92 PolarHBondContact OG-O 3.13Å; C92-W94 HydrophobicContact CB-CD2 4.37Å; C92-W94 VanDerWaalsContact CB-CE2 3.44Å; C92-W94 HydrophobicContact CB-CZ2 3.62Å; C92-E103 WeakPolarHBondContact CA-O 3.34Å; C92-F104 VanDerWaalsContact SG-CD2 3.55Å |
| 93 | L | 93.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.2 | 169.1 | 177.8 | 67.6 | 0 | 0 | 0 | 109.2 | A73 I82 V83 I102 E103 T144 L146 | A73-L93 HydrophobicContact CB-CD1 3.62Å; I82-L93 WeakPolarHBondContact O-CA 3.04Å; V83-L93 HydrophobicContact CG2-CB 4.34Å; V83-L93 HydrophobicContact CG2-CD1 3.64Å; L93-I102 HydrophobicContact CD2-CB 4.11Å; L93-I102 HydrophobicContact CD2-CD1 4.38Å; L93-I102 HydrophobicContact CD2-CG2 4.27Å; L93-I102 HydrophobicContact CG-CB 4.23Å; L93-I102 HydrophobicContact CG-CD1 4.34Å; L93-I102 PolarHBondContact O-N 2.79Å; L93-E103 HydrophobicContact CB-CB 4.19Å; L93-E103 PolarHBondContact N-O 3.37Å; L93-T144 WeakPolarHBondContact CD2-O 3.48Å; L93-L146 HydrophobicContact CB-CD1 4.09Å; L93-L146 HydrophobicContact CB-CD2 4.42Å; L93-L146 HydrophobicContact CB-CG 4.42Å |
| 94 | W | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.9 | -178 | -48.2 | 86.4 | 0 | 0 | 0 | 112 | I43 L60 Y81 I82 S84 C92 G99 R100 C101 H875 | I43-W94 HydrophobicContact CD1-CZ2 4.35Å; L60-W94 HydrophobicContact CB-CE3 4.27Å; L60-W94 HydrophobicContact CB-CH2 4.16Å; L60-W94 HydrophobicContact CB-CZ3 3.97Å; L60-W94 HydrophobicContact CD1-CB 4.41Å; L60-W94 HydrophobicContact CD1-CD2 3.9Å; L60-W94 HydrophobicContact CD1-CE3 3.86Å; L60-W94 HydrophobicContact CD1-CG 4.16Å; L60-W94 HydrophobicContact CD1-CZ3 4.41Å; Y81-W94 WeakPolarHBondContact CA-O 3.45Å; I82-W94 HydrophobicContact CD1-CB 4.21Å; I82-W94 HydrophobicContact CD1-CG 4.47Å; I82-W94 HydrophobicContact CG1-CB 3.73Å; I82-W94 HydrophobicContact CG1-CG 4.26Å; I82-W94 PolarHBondContact N-O 2.88Å; I82-W94 PolarHBondContact O-N 2.78Å; S84-W94 PolarHBondContact OG-NE1 2.97Å; C92-W94 HydrophobicContact CB-CD2 4.37Å; C92-W94 VanDerWaalsContact CB-CE2 3.44Å; C92-W94 HydrophobicContact CB-CZ2 3.62Å; W94-G99 VanDerWaalsContact CE3-O 3.31Å; W94-R100 WeakPolarHBondContact CA-O 3.38Å; W94-C101 HydrophobicContact CD2-CB 4.44Å; W94-C101 HydrophobicContact CE3-CB 3.75Å; W94-C101 HydrophobicContact CH2-CB 4.15Å; W94-C101 HydrophobicContact CZ3-CB 3.6Å; W94-H875 HydrophobicContact CH2-CB 4.09Å; W94-H875 HydrophobicContact CZ3-CB 4.26Å |
| 95 | D | 89.8 | Confident | 89.9 | Confident | 28 Ų | 28 | 28.1 Ų | 28.1 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 121.9 | 161.5 | -163.4 | -44.9 | 0 | 0 | 0 | 109.1 | Y81 N97 D98 G99 R100 I102 | Y81-D95 HydrophobicContact CD1-CB 4.24Å; Y81-D95 HydrophobicContact CE1-CB 3.97Å; Y81-D95 WeakPolarHBondContact CE1-OD2 3.18Å; D95-N97 VanDerWaalsContact C-N 3.27Å; D95-N97 PolarHBondContact O-N 3.26Å; D95-N97 VanDerWaalsContact OD1-CB 3.3Å; D95-N97 WeakPolarHBondContact OD1-CB 3.34Å; D95-N97 PolarHBondContact OD1-N 3.41Å; D95-N97 PolarHBondContact OD1-ND2 3.46Å; D95-D98 WeakPolarHBondContact CB-OD1 3.41Å; D95-G99 WeakPolarHBondContact O-CA 3.04Å; D95-G99 PolarHBondContact O-N 3.37Å; D95-R100 PolarHBondContact N-O 2.9Å; D95-I102 HydrophobicContact CB-CD1 4.13Å; D95-I102 HydrophobicContact CB-CG1 4.49Å |
| 96 | V | 89.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -33.6 | -179 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | M28 T33 R57 Q80 I82 D98 | M28-V96 HydrophobicContact CE-CG2 4.25Å; M28-V96 HydrophobicContact CG-CG1 4.44Å; M28-V96 HydrophobicContact SD-CG2 4.28Å; T33-V96 HydrophobicContact CG2-CG1 3.81Å; R57-V96 PolarHBondContact NH2-O 3.26Å; Q80-V96 HydrophobicContact CB-CB 3.78Å; Q80-V96 HydrophobicContact CB-CG1 4.4Å; Q80-V96 HydrophobicContact CB-CG2 4.05Å; Q80-V96 WeakPolarHBondContact O-CB 3.21Å; Q80-V96 WeakPolarHBondContact O-CG2 3.46Å; Q80-V96 PolarHBondContact O-N 3.21Å; I82-V96 HydrophobicContact CB-CG2 4.26Å; I82-V96 HydrophobicContact CG1-CG2 4.06Å; I82-V96 HydrophobicContact CG2-CG2 3.42Å; I82-V96 VanDerWaalsContact CG2-CG2 3.42Å; V96-D98 VanDerWaalsContact C-N 3.34Å; V96-D98 PolarHBondContact O-N 3Å |
| 97 | N | 83.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 35.6 Ų | 35.6 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -36.7 | -172 | -60.6 | -68.5 | 0 | 0 | 0 | 112.7 | D95 | D95-N97 VanDerWaalsContact C-N 3.27Å; D95-N97 PolarHBondContact O-N 3.26Å; D95-N97 VanDerWaalsContact OD1-CB 3.3Å; D95-N97 WeakPolarHBondContact OD1-CB 3.34Å; D95-N97 PolarHBondContact OD1-N 3.41Å; D95-N97 PolarHBondContact OD1-ND2 3.46Å |
| 98 | D | 78.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -4.1 | -174.7 | 70.7 | 6 | 0 | 0 | 0 | 114.7 | D95 V96 R100 L869 S877 S913 A915 | D95-D98 WeakPolarHBondContact CB-OD1 3.41Å; V96-D98 VanDerWaalsContact C-N 3.34Å; V96-D98 PolarHBondContact O-N 3Å; D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 WeakPolarHBondContact OD1-CB 3.3Å; D98-R100 PolarHBondContact OD1-N 2.84Å; D98-L869 HydrophobicContact CB-CD1 3.93Å; D98-S877 PolarHBondContact O-OG 2.87Å; D98-S913 WeakPolarHBondContact CB-OG 3.49Å; D98-S913 PolarHBondContact OD2-OG 2.95Å; D98-A915 VanDerWaalsContact OD2-CB 3.24Å; D98-A915 WeakPolarHBondContact OD2-CB 3.43Å |
| 99 | G | 87.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 72.8 | 11.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W94 D95 C101 S877 | W94-G99 VanDerWaalsContact CE3-O 3.31Å; D95-G99 WeakPolarHBondContact O-CA 3.04Å; D95-G99 PolarHBondContact O-N 3.37Å; G99-C101 PolarHBondContact O-N 2.91Å; G99-S877 WeakPolarHBondContact O-CB 3.23Å | ||
| 100 | R | 87.9 | Confident | 88.7 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | trans | -66.3 | 132.5 | 178.4 | -176 | -177.5 | 170.1 | -174.5 | -6.5 | 110.1 | W94 D95 D98 I102 S871 E1010 | W94-R100 WeakPolarHBondContact CA-O 3.38Å; D95-R100 PolarHBondContact N-O 2.9Å; D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 WeakPolarHBondContact OD1-CB 3.3Å; D98-R100 PolarHBondContact OD1-N 2.84Å; R100-I102 PolarHBondContact O-N 2.87Å; R100-S871 WeakPolarHBondContact CG-OG 3.34Å; R100-E1010 IonicContact NH1-OE1 3.54Å | ||
| 101 | C | 90.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 119 | 166.4 | -162.4 | 0 | 0 | 0 | 0 | 108.7 | W94 G99 E103 S871 H875 | W94-C101 HydrophobicContact CD2-CB 4.44Å; W94-C101 HydrophobicContact CE3-CB 3.75Å; W94-C101 HydrophobicContact CH2-CB 4.15Å; W94-C101 HydrophobicContact CZ3-CB 3.6Å; G99-C101 PolarHBondContact O-N 2.91Å; C101-E103 PolarHBondContact SG-O 3.11Å; C101-E103 VanDerWaalsContact SG-O 3.36Å; C101-S871 PolarHBondContact N-OG 2.96Å; C101-S871 WeakPolarHBondContact O-CB 3.42Å; C101-H875 HydrophobicContact CB-CB 3.68Å; C101-H875 PolarHBondContact SG-CD2 3.15Å |
| 102 | I | 87.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 38.8 Ų | 38.8 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -55.1 | -179 | -53.9 | 177.1 | 0 | 0 | 0 | 108.5 | Y81 L93 D95 R100 | Y81-I102 HydrophobicContact CD1-CD1 3.46Å; Y81-I102 VanDerWaalsContact CD1-CD1 3.46Å; Y81-I102 HydrophobicContact CE1-CD1 3.16Å; Y81-I102 HydrophobicContact CG-CD1 4.49Å; L93-I102 HydrophobicContact CD2-CB 4.11Å; L93-I102 HydrophobicContact CD2-CD1 4.38Å; L93-I102 HydrophobicContact CD2-CG2 4.27Å; L93-I102 HydrophobicContact CG-CB 4.23Å; L93-I102 HydrophobicContact CG-CD1 4.34Å; L93-I102 PolarHBondContact O-N 2.79Å; D95-I102 HydrophobicContact CB-CD1 4.13Å; D95-I102 HydrophobicContact CB-CG1 4.49Å; R100-I102 PolarHBondContact O-N 2.87Å |
| 103 | E | 88.6 | Confident | 88.3 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.7 | 179.7 | -68.6 | -52 | 144.2 | 0 | 0 | 111.6 | C92 L93 C101 T144 L146 | C92-E103 WeakPolarHBondContact CA-O 3.34Å; L93-E103 HydrophobicContact CB-CB 4.19Å; L93-E103 PolarHBondContact N-O 3.37Å; C101-E103 PolarHBondContact SG-O 3.11Å; C101-E103 VanDerWaalsContact SG-O 3.36Å; E103-T144 WeakPolarHBondContact CG-O 3.12Å; E103-L146 HydrophobicContact CB-CD1 4.19Å; E103-L146 HydrophobicContact CB-CG 4.47Å |
| 104 | F | 89.8 | Confident | 88.2 | Confident | 84 Ų | 84 | 40 Ų | 40 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.1 | 178.3 | 167.8 | -94.4 | 0 | 0 | 0 | 108.9 | E90 M91 C92 K106 H875 | E90-F104 HydrophobicContact CB-CE2 3.96Å; E90-F104 HydrophobicContact CB-CZ 4.5Å; E90-F104 HydrophobicContact CG-CE2 4.02Å; E90-F104 HydrophobicContact CG-CZ 4.12Å; M91-F104 WeakPolarHBondContact O-CA 3.49Å; C92-F104 VanDerWaalsContact SG-CD2 3.55Å; F104-K106 HydrophobicContact CZ-CB 4.36Å; F104-H875 WeakPolarHBondContact CB-NE2 3.27Å; F104-H875 AromaticContact CD2-CE1 3.53Å; F104-H875 AromaticContact CD2-NE2 3.28Å; F104-H875 VanDerWaalsContact CD2-NE2 3.28Å; F104-H875 WeakPolarHBondContact CD2-NE2 3.34Å; F104-H875 AromaticContact CE2-CE1 3.88Å; F104-H875 AromaticContact CG-NE2 3.37Å; F104-H875 WeakPolarHBondContact CG-NE2 3.3Å |
| 105 | T | 90.2 | Very high | 88.1 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.9 | 170.9 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | M91 L146 | M91-T105 HydrophobicContact CB-CG2 3.8Å; M91-T105 PolarHBondContact N-O 3.17Å; M91-T105 PolarHBondContact O-N 3.3Å; T105-L146 HydrophobicContact CG2-CB 3.56Å; T105-L146 HydrophobicContact CG2-CD1 4.11Å; T105-L146 HydrophobicContact CG2-CG 4.5Å |
| 106 | K | 89.2 | Confident | 88.2 | Confident | 123 Ų | 123 | 43.4 Ų | 43.4 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.8 | 173.5 | -174.7 | 172.1 | -175.7 | 164.1 | 0 | 108.9 | S88 G89 E90 F104 | S88-K106 VanDerWaalsContact O-CE 3.23Å; S88-K106 WeakPolarHBondContact O-CE 3.28Å; G89-K106 WeakPolarHBondContact O-CA 3.26Å; E90-K106 HydrophobicContact CG-CD 4.08Å; E90-K106 HydrophobicContact CG-CG 4.14Å; E90-K106 IonicContact OE1-NZ 3Å; F104-K106 HydrophobicContact CZ-CB 4.36Å |
| 107 | L | 86.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | trans | -95.4 | 156.3 | 177.6 | -62.7 | 178 | 0 | 0 | 0 | 110 | G89 M91 C109 H111 V148 | G89-L107 PolarHBondContact O-N 3.44Å; M91-L107 HydrophobicContact SD-CD1 3.66Å; L107-C109 PolarHBondContact O-N 2.87Å; L107-H111 WeakPolarHBondContact CD1-NE2 3.32Å; L107-V148 HydrophobicContact CD1-CG2 4.2Å; L107-V148 HydrophobicContact CD2-CG2 4.12Å | ||
| 108 | A | 82.8 | Confident | 88.1 | Confident | 122 Ų | 122 | 41.2 Ų | 41.2 | 100% | 1.008 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -72.9 | -11.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 109 | C | 84.2 | Confident | 88 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -113.7 | 145.7 | -178 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | L107 H111 Y135 | L107-C109 PolarHBondContact O-N 2.87Å; C109-H111 VanDerWaalsContact SG-CE1 3.58Å; C109-Y135 HydrophobicContact CB-CD1 3.68Å; C109-Y135 HydrophobicContact CB-CE1 3.85Å; C109-Y135 HydrophobicContact CB-CG 4.48Å |
| 110 | A | 88.1 | Confident | 87.3 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 22% | 0.223 | 25% | 0.246 | C | C | . | . | trans | -91.3 | 127.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E87 | E87-A110 WeakPolarHBondContact O-CB 3.22Š| ||
| 111 | H | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136.2 | 177.7 | -54 | -54.5 | 0 | 0 | 0 | 110.3 | T68 A85 M91 L107 C109 I114 N132 Y135 | T68-H111 VanDerWaalsContact CB-O 3.24Å; T68-H111 WeakPolarHBondContact CB-O 3.19Å; T68-H111 PolarHBondContact OG1-O 2.89Å; A85-H111 HydrophobicContact CB-CB 4.12Å; M91-H111 VanDerWaalsContact SD-CD2 3.55Å; M91-H111 PolarHBondContact SD-NE2 2.88Å; M91-H111 VanDerWaalsContact SD-NE2 3.39Å; L107-H111 WeakPolarHBondContact CD1-NE2 3.32Å; C109-H111 VanDerWaalsContact SG-CE1 3.58Å; H111-I114 HydrophobicContact CB-CD1 4.42Å; H111-I114 HydrophobicContact CB-CG1 4.32Å; H111-N132 CarbonylContact C-O 3.58Å; H111-N132 WeakPolarHBondContact CA-O 3.43Å; H111-Y135 PolarHBondContact CE1-OH 3.27Å; H111-Y135 AromaticContact ND1-CE1 3.73Å; H111-Y135 AromaticContact ND1-CZ 3.66Å; H111-Y135 PolarHBondContact ND1-OH 2.87Å |
| 112 | T | 89.8 | Confident | 85.4 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -18.1 | 173.6 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | N132 G133 | T112-N132 PolarHBondContact N-O 2.9Å; T112-G133 WeakPolarHBondContact OG1-CA 3.24Å |
| 113 | G | 90.8 | Very high | 84.4 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 138.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | C131 N132 | G113-C131 WeakPolarHBondContact O-CA 3.28Å; G113-N132 VanDerWaalsContact CA-OD1 3.24Å; G113-N132 WeakPolarHBondContact CA-OD1 3.46Å; G113-N132 PolarHBondContact N-O 2.94Å; G113-N132 VanDerWaalsContact N-O 3.1Å; G113-N132 PolarHBondContact O-N 3.29Å; G113-N132 PolarHBondContact O-OD1 2.95Å; G113-N132 VanDerWaalsContact O-OD1 3.11Å |
| 114 | I | 93.8 | Very high | 83.3 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.4 | 174.8 | -61.4 | 171.9 | 0 | 0 | 0 | 108 | C69 S71 V83 A85 M91 H111 L129 L130 C131 | C69-I114 VanDerWaalsContact SG-CD1 3.57Å; C69-I114 VanDerWaalsContact SG-CG1 3.58Å; S71-I114 VanDerWaalsContact CB-CG2 3.47Å; V83-I114 HydrophobicContact CG1-CD1 4.41Å; A85-I114 HydrophobicContact CB-CD1 3.71Å; M91-I114 HydrophobicContact CE-CD1 4.05Å; H111-I114 HydrophobicContact CB-CD1 4.42Å; H111-I114 HydrophobicContact CB-CG1 4.32Å; I114-L129 HydrophobicContact CG2-CB 4.04Å; I114-L129 HydrophobicContact CG2-CD2 3.94Å; I114-L129 HydrophobicContact CG2-CG 4.4Å; I114-L130 CarbonylContact C-O 3.46Å; I114-L130 VanDerWaalsContact CA-O 3.31Å; I114-L130 WeakPolarHBondContact CA-O 3.47Å; I114-C131 HydrophobicContact CG1-CB 4.39Å |
| 115 | Q | 90.9 | Very high | 82.6 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.5 | 171.7 | -69.7 | -166.4 | 1.1 | 0 | 0 | 111.4 | L130 M164 I166 | Q115-L130 PolarHBondContact N-O 3.35Å; Q115-L130 PolarHBondContact O-N 2.78Å; Q115-M164 HydrophobicContact CB-CE 4.2Å; Q115-M164 HydrophobicContact CG-CE 4.12Å; Q115-M164 PolarHBondContact NE2-O 3.4Å; Q115-I166 HydrophobicContact CB-CD1 4.34Å |
| 116 | F | 90.7 | Very high | 82 | Confident | 40 Ų | 40 | 61 Ų | 61 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.8 | 174 | -175.1 | -108.9 | 0 | 0 | 0 | 111.7 | S71 K72 A73 A75 L118 L129 A143 | S71-F116 PolarHBondContact OG-N 3.4Å; K72-F116 VanDerWaalsContact O-CB 3.28Å; K72-F116 WeakPolarHBondContact O-CB 3.43Å; K72-F116 VanDerWaalsContact O-CD2 3.31Å; K72-F116 WeakPolarHBondContact O-CD2 3.34Å; K72-F116 WeakPolarHBondContact O-CG 3.33Å; A73-F116 VanDerWaalsContact O-CE2 3.28Å; A73-F116 WeakPolarHBondContact O-CE2 3.19Å; A75-F116 HydrophobicContact CB-CE1 4.09Å; A75-F116 HydrophobicContact CB-CZ 4.48Å; F116-L118 HydrophobicContact CE1-CB 4.33Å; F116-L118 HydrophobicContact CZ-CD1 4.42Å; F116-L129 HydrophobicContact CB-CD2 4.42Å; F116-L129 HydrophobicContact CD2-CD2 3.91Å; F116-A143 HydrophobicContact CD2-CB 4.36Å; F116-A143 HydrophobicContact CE2-CB 3.93Å |
| 117 | Y | 86.8 | Confident | 81.8 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.3 | 178.8 | 179.6 | -122.8 | 0 | 0 | 0 | 109.8 | F119 R128 I166 D175 I191 | Y117-F119 HydrophobicContact CD1-CB 4.41Å; Y117-F119 HydrophobicContact CD1-CD2 4.47Å; Y117-F119 HydrophobicContact CE1-CB 4.1Å; Y117-F119 AromaticContact CE1-CD2 3.49Å; Y117-F119 HydrophobicContact CE1-CD2 3.49Å; Y117-F119 VanDerWaalsContact CE1-CD2 3.49Å; Y117-F119 HydrophobicContact CE1-CE2 4.34Å; Y117-F119 HydrophobicContact CE1-CG 4.25Å; Y117-F119 AromaticContact CZ-CD2 3.98Å; Y117-R128 HydrophobicContact CD1-CB 4.44Å; Y117-R128 PolarHBondContact N-O 2.82Å; Y117-R128 PolarHBondContact O-N 3.16Å; Y117-I166 HydrophobicContact CD2-CD1 3.89Å; Y117-I166 HydrophobicContact CD2-CG2 4.07Å; Y117-I166 HydrophobicContact CE2-CG2 4.22Å; Y117-I166 HydrophobicContact CG-CD1 4.12Å; Y117-D175 HydrophobicContact CE2-CB 4.12Å; Y117-D175 WeakPolarHBondContact CE2-OD2 3.46Å; Y117-D175 VanDerWaalsContact CZ-OD2 3.28Å; Y117-D175 WeakPolarHBondContact OH-CB 3.48Å; Y117-D175 PolarHBondContact OH-OD2 2.67Å; Y117-I191 HydrophobicContact CE1-CG2 4.21Å |
| 118 | L | 84.8 | Confident | 82 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 104.9 | 177 | -174.2 | 67.3 | 0 | 0 | 0 | 108.7 | A75 F116 K125 | A75-L118 HydrophobicContact CB-CD1 3.67Å; A75-L118 HydrophobicContact CB-CD2 3.58Å; A75-L118 HydrophobicContact CB-CG 4.14Å; F116-L118 HydrophobicContact CE1-CB 4.33Å; F116-L118 HydrophobicContact CZ-CD1 4.42Å; L118-K125 HydrophobicContact CD1-CB 4.1Å; L118-K125 HydrophobicContact CD2-CD 4.18Å; L118-K125 HydrophobicContact CG-CB 4.5Å |
| 119 | F | 76.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.5 | 178.8 | -163.8 | -117.9 | 0 | 0 | 0 | 110.4 | Y117 I121 K125 E126 R128 I191 | Y117-F119 HydrophobicContact CD1-CB 4.41Å; Y117-F119 HydrophobicContact CD1-CD2 4.47Å; Y117-F119 HydrophobicContact CE1-CB 4.1Å; Y117-F119 AromaticContact CE1-CD2 3.49Å; Y117-F119 HydrophobicContact CE1-CD2 3.49Å; Y117-F119 VanDerWaalsContact CE1-CD2 3.49Å; Y117-F119 HydrophobicContact CE1-CE2 4.34Å; Y117-F119 HydrophobicContact CE1-CG 4.25Å; Y117-F119 AromaticContact CZ-CD2 3.98Å; F119-I121 HydrophobicContact CD1-CD1 3.8Å; F119-I121 HydrophobicContact CD1-CG1 3.53Å; F119-I121 HydrophobicContact CE1-CD1 3.58Å; F119-I121 HydrophobicContact CE1-CG1 3.34Å; F119-I121 HydrophobicContact CZ-CG1 4.43Å; F119-K125 CarbonylContact O-C 3.56Å; F119-K125 WeakPolarHBondContact O-CA 3.39Å; F119-E126 PolarHBondContact N-O 3.39Å; F119-E126 PolarHBondContact O-N 3.25Å; F119-R128 HydrophobicContact CB-CG 4.42Å; F119-I191 HydrophobicContact CE2-CG2 3.95Å |
| 120 | T | 72.2 | Confident | 82.9 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.7 | -179.8 | -54.3 | 0 | 0 | 0 | 0 | 110 | Q124 K125 | T120-Q124 CarbonylContact C-O 3.59Å; T120-Q124 WeakPolarHBondContact CA-O 3.44Å; T120-K125 HydrophobicContact CG2-CG 4.24Å |
| 121 | I | 67.1 | Low | 83.2 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 32% | 0.323 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 103 | 175.5 | -53.9 | 174 | 0 | 0 | 0 | 108.1 | F119 T123 Q124 | F119-I121 HydrophobicContact CD1-CD1 3.8Å; F119-I121 HydrophobicContact CD1-CG1 3.53Å; F119-I121 HydrophobicContact CE1-CD1 3.58Å; F119-I121 HydrophobicContact CE1-CG1 3.34Å; F119-I121 HydrophobicContact CZ-CG1 4.43Å; I121-T123 PolarHBondContact O-N 3.37Å; I121-T123 VanDerWaalsContact O-N 3.07Å; I121-Q124 PolarHBondContact N-O 2.91Å; I121-Q124 PolarHBondContact O-N 3.46Å |
| 122 | G | 71.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 76% | 0.763 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -112.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 123 | T | 66.1 | Low | 83.1 | Confident | 138 Ų | 138 | 43.5 Ų | 43.5 | 85% | 0.847 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -11.1 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | I121 | I121-T123 PolarHBondContact O-N 3.37Å; I121-T123 VanDerWaalsContact O-N 3.07Å |
| 124 | Q | 66.4 | Low | 82.8 | Confident | 129 Ų | 129 | 48.6 Ų | 48.6 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.9 | -178 | -65.6 | -67.2 | -5.1 | 0 | 0 | 111 | T120 I121 | T120-Q124 CarbonylContact C-O 3.59Å; T120-Q124 WeakPolarHBondContact CA-O 3.44Å; I121-Q124 PolarHBondContact N-O 2.91Å; I121-Q124 PolarHBondContact O-N 3.46Å |
| 125 | K | 73.6 | Confident | 82.6 | Confident | 144 Ų | 144 | 48.8 Ų | 48.8 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.2 | 176.9 | -70.8 | 179.3 | 173.2 | -177.4 | 0 | 109.1 | L118 F119 T120 | L118-K125 HydrophobicContact CD1-CB 4.1Å; L118-K125 HydrophobicContact CD2-CD 4.18Å; L118-K125 HydrophobicContact CG-CB 4.5Å; F119-K125 CarbonylContact O-C 3.56Å; F119-K125 WeakPolarHBondContact O-CA 3.39Å; T120-K125 HydrophobicContact CG2-CG 4.24Å |
| 126 | E | 78.4 | Confident | 82.3 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.6 | -178.4 | -69.5 | 178.4 | 175.5 | 0 | 0 | 110.2 | F119 | F119-E126 PolarHBondContact N-O 3.39Å; F119-E126 PolarHBondContact O-N 3.25Å |
| 127 | G | 85.8 | Confident | 82.3 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A143 | G127-A143 WeakPolarHBondContact O-CB 3.31Å; G127-A143 PolarHBondContact O-N 2.82Å |
| 128 | R | 89.8 | Confident | 82.6 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.1 | 172.4 | -63.7 | -176.8 | -178 | -177 | 0.1 | 110.2 | Y117 F119 V140 V141 L149 Y150 | Y117-R128 HydrophobicContact CD1-CB 4.44Å; Y117-R128 PolarHBondContact N-O 2.82Å; Y117-R128 PolarHBondContact O-N 3.16Å; F119-R128 HydrophobicContact CB-CG 4.42Å; R128-V140 HydrophobicContact CB-CG1 4.21Å; R128-V141 CarbonylContact C-O 3.59Å; R128-V141 WeakPolarHBondContact CA-O 3.25Å; R128-L149 HydrophobicContact CG-CD1 4.39Å; R128-Y150 PolarHBondContact NH1-OH 3.12Å |
| 129 | L | 92.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.8 | 175 | -58.4 | 171.2 | 0 | 0 | 0 | 108.1 | V83 M91 I114 F116 V140 V141 A143 L146 | V83-L129 HydrophobicContact CB-CD1 4.09Å; V83-L129 HydrophobicContact CG1-CD1 4.01Å; V83-L129 HydrophobicContact CG2-CD1 3.84Å; M91-L129 HydrophobicContact CE-CD1 4.42Å; I114-L129 HydrophobicContact CG2-CB 4.04Å; I114-L129 HydrophobicContact CG2-CD2 3.94Å; I114-L129 HydrophobicContact CG2-CG 4.4Å; F116-L129 HydrophobicContact CB-CD2 4.42Å; F116-L129 HydrophobicContact CD2-CD2 3.91Å; L129-V140 CarbonylContact O-C 3.35Å; L129-V140 WeakPolarHBondContact O-CA 3.43Å; L129-V141 HydrophobicContact CB-CB 4.24Å; L129-V141 PolarHBondContact N-O 2.92Å; L129-V141 PolarHBondContact O-N 2.89Å; L129-A143 HydrophobicContact CD1-CB 4.31Å; L129-A143 HydrophobicContact CD2-CB 4.24Å; L129-A143 HydrophobicContact CG-CB 3.92Å; L129-L146 HydrophobicContact CD1-CD2 4.23Å |
| 130 | L | 93.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.7 | 165.8 | -61.7 | 175.2 | 0 | 0 | 0 | 106.9 | I114 Q115 I138 L139 V140 L152 M164 I166 V177 I191 | I114-L130 CarbonylContact C-O 3.46Å; I114-L130 VanDerWaalsContact CA-O 3.31Å; I114-L130 WeakPolarHBondContact CA-O 3.47Å; Q115-L130 PolarHBondContact N-O 3.35Å; Q115-L130 PolarHBondContact O-N 2.78Å; L130-I138 HydrophobicContact CB-CG2 4.08Å; L130-I138 HydrophobicContact CD2-CG2 4.33Å; L130-L139 WeakPolarHBondContact CA-O 3.29Å; L130-V140 HydrophobicContact CD2-CB 4.32Å; L130-V140 HydrophobicContact CD2-CG1 4.19Å; L130-V140 HydrophobicContact CD2-CG2 3.54Å; L130-L152 HydrophobicContact CD2-CD1 4.43Å; L130-M164 VanDerWaalsContact C-CE 3.48Å; L130-M164 HydrophobicContact CB-CE 3.98Å; L130-M164 HydrophobicContact CB-SD 3.95Å; L130-M164 WeakPolarHBondContact O-CE 3.38Å; L130-I166 HydrophobicContact CD1-CD1 3.61Å; L130-I166 HydrophobicContact CD1-CG1 3.75Å; L130-V177 HydrophobicContact CD1-CG1 4.31Å; L130-V177 HydrophobicContact CD1-CG2 3.64Å; L130-I191 HydrophobicContact CD2-CD1 4.44Å |
| 131 | C | 93.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.5 | -176.4 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | G113 I114 Y135 L139 | G113-C131 WeakPolarHBondContact O-CA 3.28Å; I114-C131 HydrophobicContact CG1-CB 4.39Å; C131-Y135 PolarHBondContact O-OH 3.48Å; C131-L139 HydrophobicContact CB-CB 4.33Å; C131-L139 PolarHBondContact N-O 2.64Å; C131-L139 PolarHBondContact O-N 3.06Å |
| 132 | N | 93.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.5 | 170.6 | 74.8 | -67 | 0 | 0 | 0 | 111.2 | H111 T112 G113 Y135 I161 S162 M164 | H111-N132 CarbonylContact C-O 3.58Å; H111-N132 WeakPolarHBondContact CA-O 3.43Å; T112-N132 PolarHBondContact N-O 2.9Å; G113-N132 VanDerWaalsContact CA-OD1 3.24Å; G113-N132 WeakPolarHBondContact CA-OD1 3.46Å; G113-N132 PolarHBondContact N-O 2.94Å; G113-N132 VanDerWaalsContact N-O 3.1Å; G113-N132 PolarHBondContact O-N 3.29Å; G113-N132 PolarHBondContact O-OD1 2.95Å; G113-N132 VanDerWaalsContact O-OD1 3.11Å; N132-Y135 WeakPolarHBondContact CA-OH 3.47Å; N132-Y135 PolarHBondContact N-OH 3.02Å; N132-I161 HydrophobicContact CB-CB 4.03Å; N132-I161 HydrophobicContact CB-CG2 3.85Å; N132-I161 PolarHBondContact ND2-O 2.79Å; N132-S162 PolarHBondContact ND2-O 3.29Å; N132-M164 HydrophobicContact CB-CE 4.29Å; N132-M164 HydrophobicContact CB-SD 4.16Å; N132-M164 WeakPolarHBondContact OD1-CE 3.37Å |
| 133 | G | 88.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | -155.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T112 Y135 | T112-G133 WeakPolarHBondContact OG1-CA 3.24Å; G133-Y135 VanDerWaalsContact CA-CE1 3.48Å; G133-Y135 PolarHBondContact O-N 3.26Å |
| 134 | H | 83.9 | Confident | 87.4 | Confident | 123 Ų | 123 | 37 Ų | 37 | 57% | 0.569 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -78.7 | 51.6 | 175.7 | -60.3 | -29.8 | 0 | 0 | 0 | 112 | W160 | H134-W160 HydrophobicContact CB-CD2 4.49Š|
| 135 | Y | 88.8 | Confident | 88.3 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -152.6 | 155.3 | 179.4 | 53.9 | -92.3 | 0 | 0 | 0 | 109.9 | C109 H111 C131 N132 G133 E137 L139 | C109-Y135 HydrophobicContact CB-CD1 3.68Å; C109-Y135 HydrophobicContact CB-CE1 3.85Å; C109-Y135 HydrophobicContact CB-CG 4.48Å; H111-Y135 PolarHBondContact CE1-OH 3.27Å; H111-Y135 AromaticContact ND1-CE1 3.73Å; H111-Y135 AromaticContact ND1-CZ 3.66Å; H111-Y135 PolarHBondContact ND1-OH 2.87Å; C131-Y135 PolarHBondContact O-OH 3.48Å; N132-Y135 WeakPolarHBondContact CA-OH 3.47Å; N132-Y135 PolarHBondContact N-OH 3.02Å; G133-Y135 VanDerWaalsContact CA-CE1 3.48Å; G133-Y135 PolarHBondContact O-N 3.26Å; Y135-E137 HydrophobicContact CD2-CG 3.78Å; Y135-E137 WeakPolarHBondContact CD2-O 3.43Å; Y135-E137 HydrophobicContact CE2-CG 4.3Å; Y135-E137 WeakPolarHBondContact CE2-O 3.48Å; Y135-E137 PolarHBondContact O-N 3.46Å; Y135-L139 HydrophobicContact CE2-CD1 4.17Å; Y135-L139 HydrophobicContact CE2-CG 3.83Å |
| 136 | P | 85.3 | Confident | 89.1 | Confident | 55 Ų | 55 | 26.3 Ų | 26.3 | 36% | 0.357 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -83.1 | -9.9 | -166.8 | 31.9 | -36.5 | 0 | 0 | 0 | 115.7 | P158 D159 | P136-P158 HydrophobicContact CB-CB 4.15Å; P136-D159 VanDerWaalsContact CA-O 3.29Å; P136-D159 WeakPolarHBondContact CA-O 3.29Å |
| 137 | E | 89.9 | Confident | 89.5 | Confident | 64 Ų | 64 | 26.4 Ų | 26.4 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -103.9 | 163.2 | -178.9 | 58.7 | -173 | 170.8 | 0 | 0 | 111.8 | Y135 L139 S151 L152 V153 | Y135-E137 HydrophobicContact CD2-CG 3.78Å; Y135-E137 WeakPolarHBondContact CD2-O 3.43Å; Y135-E137 HydrophobicContact CE2-CG 4.3Å; Y135-E137 WeakPolarHBondContact CE2-O 3.48Å; Y135-E137 PolarHBondContact O-N 3.46Å; E137-L139 HydrophobicContact CG-CD2 3.96Å; E137-S151 WeakPolarHBondContact OE2-CB 3.35Å; E137-S151 PolarHBondContact OE2-OG 2.92Å; E137-L152 CarbonylContact C-O 3.55Å; E137-L152 WeakPolarHBondContact CA-O 3.36Å; E137-L152 WeakPolarHBondContact CB-O 3.34Å; E137-V153 HydrophobicContact CB-CG2 4.09Å |
| 138 | I | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 167.3 | -56.4 | 172.8 | 0 | 0 | 0 | 107.1 | L130 S151 L152 I161 M164 V177 A179 W189 | L130-I138 HydrophobicContact CB-CG2 4.08Å; L130-I138 HydrophobicContact CD2-CG2 4.33Å; I138-S151 CarbonylContact O-C 3.07Å; I138-S151 WeakPolarHBondContact O-CA 3.44Å; I138-L152 HydrophobicContact CB-CB 4.04Å; I138-L152 HydrophobicContact CB-CD1 4.14Å; I138-L152 HydrophobicContact CB-CG 4.27Å; I138-L152 HydrophobicContact CD1-CD1 4.33Å; I138-L152 HydrophobicContact CG2-CD1 4.27Å; I138-L152 PolarHBondContact N-O 2.86Å; I138-L152 PolarHBondContact O-N 2.56Å; I138-I161 HydrophobicContact CG1-CG1 4.07Å; I138-I161 HydrophobicContact CG1-CG2 4.47Å; I138-M164 HydrophobicContact CD1-SD 4.42Å; I138-M164 HydrophobicContact CG2-SD 3.95Å; I138-V177 HydrophobicContact CD1-CG1 4.11Å; I138-A179 HydrophobicContact CD1-CB 3.91Å; I138-W189 HydrophobicContact CD1-CE3 4.2Å; I138-W189 HydrophobicContact CD1-CH2 3.94Å; I138-W189 HydrophobicContact CD1-CZ3 3.76Å |
| 139 | L | 92 | Very high | 89.5 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.2 | 178.8 | -61.2 | -179 | 0 | 0 | 0 | 109.8 | L130 C131 Y135 E137 V141 V148 | L130-L139 WeakPolarHBondContact CA-O 3.29Å; C131-L139 HydrophobicContact CB-CB 4.33Å; C131-L139 PolarHBondContact N-O 2.64Å; C131-L139 PolarHBondContact O-N 3.06Å; Y135-L139 HydrophobicContact CE2-CD1 4.17Å; Y135-L139 HydrophobicContact CE2-CG 3.83Å; E137-L139 HydrophobicContact CG-CD2 3.96Å; L139-V141 HydrophobicContact CB-CG2 4.31Å; L139-V148 HydrophobicContact CD2-CG1 4.35Å |
| 140 | V | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114 | 172.4 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | R128 L129 L130 L149 Y150 L152 | R128-V140 HydrophobicContact CB-CG1 4.21Å; L129-V140 CarbonylContact O-C 3.35Å; L129-V140 WeakPolarHBondContact O-CA 3.43Å; L130-V140 HydrophobicContact CD2-CB 4.32Å; L130-V140 HydrophobicContact CD2-CG1 4.19Å; L130-V140 HydrophobicContact CD2-CG2 3.54Å; V140-L149 WeakPolarHBondContact O-CB 3.33Å; V140-L149 PolarHBondContact O-N 3.42Å; V140-Y150 HydrophobicContact CB-CD1 4.28Å; V140-Y150 HydrophobicContact CB-CD2 4.03Å; V140-Y150 HydrophobicContact CB-CE1 4.02Å; V140-Y150 HydrophobicContact CB-CE2 3.76Å; V140-Y150 HydrophobicContact CB-CG 4.28Å; V140-Y150 WeakPolarHBondContact CB-O 3.24Å; V140-Y150 HydrophobicContact CG1-CE1 3.87Å; V140-Y150 HydrophobicContact CG1-CE2 4.17Å; V140-Y150 HydrophobicContact CG2-CD2 3.72Å; V140-Y150 HydrophobicContact CG2-CE1 4.43Å; V140-Y150 HydrophobicContact CG2-CE2 3.27Å; V140-Y150 HydrophobicContact CG2-CG 4.46Å; V140-Y150 PolarHBondContact N-O 3.38Å; V140-Y150 PolarHBondContact O-N 2.93Å; V140-L152 HydrophobicContact CG2-CD2 4.36Å; V140-L152 HydrophobicContact CG2-CG 4.15Å |
| 141 | V | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.3 | -172.9 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | R128 L129 L139 L146 E147 V148 | R128-V141 CarbonylContact C-O 3.59Å; R128-V141 WeakPolarHBondContact CA-O 3.25Å; L129-V141 HydrophobicContact CB-CB 4.24Å; L129-V141 PolarHBondContact N-O 2.92Å; L129-V141 PolarHBondContact O-N 2.89Å; L139-V141 HydrophobicContact CB-CG2 4.31Å; V141-L146 WeakPolarHBondContact CG1-O 3.19Å; V141-E147 CarbonylContact C-O 3.56Å; V141-E147 WeakPolarHBondContact CA-O 3.49Å; V141-E147 WeakPolarHBondContact CG1-O 3.42Å; V141-V148 HydrophobicContact CG2-CG2 4.2Å |
| 142 | D | 88.1 | Confident | 88.9 | Confident | 25 Ų | 25 | 32.5 Ų | 32.5 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.1 | 170.8 | -176.2 | 73.5 | 0 | 0 | 0 | 110.6 | T144 S145 L146 E147 L149 | D142-T144 PolarHBondContact O-N 2.88Å; D142-T144 WeakPolarHBondContact OD2-CA 3.42Å; D142-T144 WeakPolarHBondContact OD2-CB 3.44Å; D142-T144 PolarHBondContact OD2-N 2.86Å; D142-T144 PolarHBondContact OD2-OG1 3.23Å; D142-S145 WeakPolarHBondContact CB-OG 3.48Å; D142-S145 PolarHBondContact OD2-N 2.95Å; D142-S145 PolarHBondContact OD2-OG 2.92Å; D142-L146 VanDerWaalsContact O-CA 3.27Å; D142-L146 WeakPolarHBondContact O-CA 3.37Å; D142-L146 PolarHBondContact O-N 2.86Å; D142-E147 PolarHBondContact N-O 2.77Å; D142-L149 HydrophobicContact CB-CD1 4.22Å; D142-L149 HydrophobicContact CB-CD2 4.23Å; D142-L149 HydrophobicContact CB-CG 4.28Å |
| 143 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -14.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A73 F116 G127 L129 | A73-A143 HydrophobicContact CB-CB 4.33Å; F116-A143 HydrophobicContact CD2-CB 4.36Å; F116-A143 HydrophobicContact CE2-CB 3.93Å; G127-A143 WeakPolarHBondContact O-CB 3.31Å; G127-A143 PolarHBondContact O-N 2.82Å; L129-A143 HydrophobicContact CD1-CB 4.31Å; L129-A143 HydrophobicContact CD2-CB 4.24Å; L129-A143 HydrophobicContact CG-CB 3.92Å |
| 144 | T | 87.5 | Confident | 88.8 | Confident | 87 Ų | 87 | 34.1 Ų | 34.1 | 53% | 0.534 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -46.5 | -176.7 | 64.7 | 0 | 0 | 0 | 0 | 113 | L93 E103 D142 | L93-T144 WeakPolarHBondContact CD2-O 3.48Å; E103-T144 WeakPolarHBondContact CG-O 3.12Å; D142-T144 PolarHBondContact O-N 2.88Å; D142-T144 WeakPolarHBondContact OD2-CA 3.42Å; D142-T144 WeakPolarHBondContact OD2-CB 3.44Å; D142-T144 PolarHBondContact OD2-N 2.86Å; D142-T144 PolarHBondContact OD2-OG1 3.23Å |
| 145 | S | 85.5 | Confident | 88.8 | Confident | 47 Ų | 47 | 35 Ų | 35 | 33% | 0.329 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16.5 | 178.5 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | D142 E147 | D142-S145 WeakPolarHBondContact CB-OG 3.48Å; D142-S145 PolarHBondContact OD2-N 2.95Å; D142-S145 PolarHBondContact OD2-OG 2.92Å; S145-E147 PolarHBondContact O-N 3.41Å; S145-E147 PolarHBondContact OG-N 2.86Å |
| 146 | L | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | 59.1 | 19.7 | -171.4 | -50.5 | 178.4 | 0 | 0 | 0 | 113.6 | V83 M91 L93 E103 T105 L129 V141 D142 | V83-L146 HydrophobicContact CG1-CD2 4.24Å; V83-L146 HydrophobicContact CG2-CD2 3.73Å; M91-L146 HydrophobicContact CB-CD1 4.28Å; L93-L146 HydrophobicContact CB-CD1 4.09Å; L93-L146 HydrophobicContact CB-CD2 4.42Å; L93-L146 HydrophobicContact CB-CG 4.42Å; E103-L146 HydrophobicContact CB-CD1 4.19Å; E103-L146 HydrophobicContact CB-CG 4.47Å; T105-L146 HydrophobicContact CG2-CB 3.56Å; T105-L146 HydrophobicContact CG2-CD1 4.11Å; T105-L146 HydrophobicContact CG2-CG 4.5Å; L129-L146 HydrophobicContact CD1-CD2 4.23Å; V141-L146 WeakPolarHBondContact CG1-O 3.19Å; D142-L146 VanDerWaalsContact O-CA 3.27Å; D142-L146 WeakPolarHBondContact O-CA 3.37Å; D142-L146 PolarHBondContact O-N 2.86Å | ||
| 147 | E | 88.2 | Confident | 88.3 | Confident | 88 Ų | 88 | 39 Ų | 39 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | trans | -83.2 | 141 | 174.6 | -66.6 | -172.7 | 153.4 | 0 | 0 | 111.3 | V141 D142 S145 L149 | V141-E147 CarbonylContact C-O 3.56Å; V141-E147 WeakPolarHBondContact CA-O 3.49Å; V141-E147 WeakPolarHBondContact CG1-O 3.42Å; D142-E147 PolarHBondContact N-O 2.77Å; S145-E147 PolarHBondContact O-N 3.41Å; S145-E147 PolarHBondContact OG-N 2.86Å; E147-L149 PolarHBondContact O-N 3.28Å | ||
| 148 | V | 88.7 | Confident | 88 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 33% | 0.333 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.7 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L107 L139 V141 | L107-V148 HydrophobicContact CD1-CG2 4.2Å; L107-V148 HydrophobicContact CD2-CG2 4.12Å; L139-V148 HydrophobicContact CD2-CG1 4.35Å; V141-V148 HydrophobicContact CG2-CG2 4.2Å |
| 149 | L | 86.1 | Confident | 87.8 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -51.6 | -179.6 | -59.6 | 177.7 | 0 | 0 | 0 | 111.4 | R128 V140 D142 E147 | R128-L149 HydrophobicContact CG-CD1 4.39Å; V140-L149 WeakPolarHBondContact O-CB 3.33Å; V140-L149 PolarHBondContact O-N 3.42Å; D142-L149 HydrophobicContact CB-CD1 4.22Å; D142-L149 HydrophobicContact CB-CD2 4.23Å; D142-L149 HydrophobicContact CB-CG 4.28Å; E147-L149 PolarHBondContact O-N 3.28Å |
| 150 | Y | 87.4 | Confident | 87.7 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 172.8 | 179.6 | 58.7 | -89.3 | 0 | 0 | 0 | 110.3 | R128 V140 L152 I204 | R128-Y150 PolarHBondContact NH1-OH 3.12Å; V140-Y150 HydrophobicContact CB-CD1 4.28Å; V140-Y150 HydrophobicContact CB-CD2 4.03Å; V140-Y150 HydrophobicContact CB-CE1 4.02Å; V140-Y150 HydrophobicContact CB-CE2 3.76Å; V140-Y150 HydrophobicContact CB-CG 4.28Å; V140-Y150 WeakPolarHBondContact CB-O 3.24Å; V140-Y150 HydrophobicContact CG1-CE1 3.87Å; V140-Y150 HydrophobicContact CG1-CE2 4.17Å; V140-Y150 HydrophobicContact CG2-CD2 3.72Å; V140-Y150 HydrophobicContact CG2-CE1 4.43Å; V140-Y150 HydrophobicContact CG2-CE2 3.27Å; V140-Y150 HydrophobicContact CG2-CG 4.46Å; V140-Y150 PolarHBondContact N-O 3.38Å; V140-Y150 PolarHBondContact O-N 2.93Å; Y150-L152 HydrophobicContact CD2-CD2 4.32Å; Y150-L152 HydrophobicContact CE2-CD2 3.89Å; Y150-I204 HydrophobicContact CD2-CD1 3.58Å; Y150-I204 HydrophobicContact CD2-CG1 4.09Å; Y150-I204 HydrophobicContact CE2-CD1 3.29Å; Y150-I204 HydrophobicContact CE2-CG1 4.27Å |
| 151 | S | 89.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.4 | 175.9 | 68.4 | 0 | 0 | 0 | 0 | 113.1 | E137 I138 V153 P203 I204 | E137-S151 WeakPolarHBondContact OE2-CB 3.35Å; E137-S151 PolarHBondContact OE2-OG 2.92Å; I138-S151 CarbonylContact O-C 3.07Å; I138-S151 WeakPolarHBondContact O-CA 3.44Å; S151-V153 WeakPolarHBondContact OG-CG2 3.45Å; S151-P203 WeakPolarHBondContact O-CA 3.46Å; S151-I204 PolarHBondContact O-N 3.04Å |
| 152 | L | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.1 | 169 | -46.9 | 178.7 | 0 | 0 | 0 | 108.1 | L130 E137 I138 V140 Y150 V177 W189 I204 | L130-L152 HydrophobicContact CD2-CD1 4.43Å; E137-L152 CarbonylContact C-O 3.55Å; E137-L152 WeakPolarHBondContact CA-O 3.36Å; E137-L152 WeakPolarHBondContact CB-O 3.34Å; I138-L152 HydrophobicContact CB-CB 4.04Å; I138-L152 HydrophobicContact CB-CD1 4.14Å; I138-L152 HydrophobicContact CB-CG 4.27Å; I138-L152 HydrophobicContact CD1-CD1 4.33Å; I138-L152 HydrophobicContact CG2-CD1 4.27Å; I138-L152 PolarHBondContact N-O 2.86Å; I138-L152 PolarHBondContact O-N 2.56Å; V140-L152 HydrophobicContact CG2-CD2 4.36Å; V140-L152 HydrophobicContact CG2-CG 4.15Å; Y150-L152 HydrophobicContact CD2-CD2 4.32Å; Y150-L152 HydrophobicContact CE2-CD2 3.89Å; L152-V177 HydrophobicContact CD1-CB 4.42Å; L152-V177 HydrophobicContact CD1-CG1 4.35Å; L152-V177 HydrophobicContact CD1-CG2 4.43Å; L152-W189 HydrophobicContact CB-CD2 4.24Å; L152-W189 HydrophobicContact CB-CG 4.13Å; L152-W189 HydrophobicContact CD1-CB 4.25Å; L152-W189 HydrophobicContact CD1-CD2 4.4Å; L152-W189 HydrophobicContact CD1-CG 4.16Å; L152-I204 CarbonylContact C-O 3.58Å; L152-I204 WeakPolarHBondContact CA-O 3.38Å; L152-I204 HydrophobicContact CD2-CB 3.75Å; L152-I204 HydrophobicContact CD2-CD1 3.8Å; L152-I204 HydrophobicContact CD2-CG1 4.26Å; L152-I204 HydrophobicContact CD2-CG2 4.19Å |
| 153 | V | 90.1 | Very high | 87.7 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.8 | -171.2 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | E137 S151 W189 P203 I204 F205 E206 | E137-V153 HydrophobicContact CB-CG2 4.09Å; S151-V153 WeakPolarHBondContact OG-CG2 3.45Å; V153-W189 PolarHBondContact O-NE1 2.95Å; V153-P203 HydrophobicContact CB-CB 4.12Å; V153-P203 HydrophobicContact CG2-CB 3.52Å; V153-I204 PolarHBondContact N-O 2.82Å; V153-F205 HydrophobicContact CB-CD1 4.17Å; V153-F205 HydrophobicContact CB-CE1 4.1Å; V153-F205 HydrophobicContact CG1-CE1 4.25Å; V153-F205 WeakPolarHBondContact O-CA 3.39Å; V153-E206 PolarHBondContact O-N 2.92Å |
| 154 | S | 87.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | trans | -98.3 | 122.3 | 173 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | S157 K187 E206 | S154-S157 PolarHBondContact OG-N 2.87Å; S154-S157 PolarHBondContact OG-O 2.92Å; S154-K187 WeakPolarHBondContact OG-CE 3.14Å; S154-K187 PolarHBondContact OG-NZ 2.93Å; S154-E206 WeakPolarHBondContact CA-OE1 3.43Å; S154-E206 WeakPolarHBondContact CA-OE2 3.35Å; S154-E206 WeakPolarHBondContact CB-OE2 2.95Å; S154-E206 PolarHBondContact OG-OE1 3.05Å; S154-E206 PolarHBondContact OG-OE2 3.18Å | ||
| 155 | K | 83.6 | Confident | 87.9 | Confident | 143 Ų | 143 | 45.1 Ų | 45.1 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -84.3 | -31.9 | 175.9 | -79.2 | 179.7 | 175 | 160.8 | 0 | 112 | F205 E206 | K155-F205 HydrophobicContact CD-CB 4.35Å; K155-F205 HydrophobicContact CD-CD1 3.75Å; K155-F205 HydrophobicContact CD-CD2 4.3Å; K155-F205 HydrophobicContact CD-CE1 4.04Å; K155-F205 HydrophobicContact CD-CG 3.84Å; K155-F205 HydrophobicContact CD-CZ 4.43Å; K155-F205 HydrophobicContact CG-CD1 3.42Å; K155-F205 VanDerWaalsContact CG-CD1 3.42Å; K155-F205 HydrophobicContact CG-CE1 3.68Å; K155-F205 HydrophobicContact CG-CG 4.02Å; K155-F205 HydrophobicContact CG-CZ 4.49Å; K155-E206 PolarHBondContact N-OE1 3.37Å; K155-E206 VanDerWaalsContact N-OE1 3.15Å |
| 156 | I | 81.3 | Confident | 88 | Confident | 129 Ų | 129 | 44.2 Ų | 44.2 | 66% | 0.662 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -80.7 | -43.8 | -169 | -60.1 | 169.4 | 0 | 0 | 0 | 109.9 | E206 | I156-E206 WeakPolarHBondContact CB-OE1 3.25Å; I156-E206 PolarHBondContact N-OE1 2.71Å; I156-E206 VanDerWaalsContact N-OE1 3.1Å |
| 157 | S | 82.3 | Confident | 87.7 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | trans | -150 | 73.3 | -173.2 | 54.4 | 0 | 0 | 0 | 0 | 112 | S154 D159 K187 | S154-S157 PolarHBondContact OG-N 2.87Å; S154-S157 PolarHBondContact OG-O 2.92Å; S157-D159 PolarHBondContact O-N 2.86Å; S157-D159 VanDerWaalsContact O-N 3.11Å; S157-K187 WeakPolarHBondContact O-CE 3.43Å; S157-K187 PolarHBondContact O-NZ 2.89Å | ||
| 158 | P | 84.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | trans | -60.9 | 118.9 | 178.8 | 26.6 | -33.7 | 0 | 0 | 0 | 110.1 | P136 | P136-P158 HydrophobicContact CB-CB 4.15Š| ||
| 159 | D | 88 | Confident | 86.2 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -156.7 | 154.1 | -176.7 | -175.8 | 27.4 | 0 | 0 | 0 | 108.6 | P136 S157 I161 S181 V182 T183 | P136-D159 VanDerWaalsContact CA-O 3.29Å; P136-D159 WeakPolarHBondContact CA-O 3.29Å; S157-D159 PolarHBondContact O-N 2.86Å; S157-D159 VanDerWaalsContact O-N 3.11Å; D159-I161 PolarHBondContact O-N 2.94Å; D159-S181 WeakPolarHBondContact OD2-CB 3.1Å; D159-S181 PolarHBondContact OD2-OG 3.49Å; D159-V182 PolarHBondContact OD2-N 2.66Å; D159-T183 VanDerWaalsContact OD2-CB 3.22Å; D159-T183 WeakPolarHBondContact OD2-CB 3.34Å; D159-T183 WeakPolarHBondContact OD2-CG2 2.94Å; D159-T183 PolarHBondContact OD2-N 3.41Å; D159-T183 PolarHBondContact OD2-OG1 3.32Å | ||
| 160 | W | 89.3 | Confident | 85 | Confident | 127 Ų | 127 | 49.9 Ų | 49.9 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | trans | -59.9 | 136.4 | -177.5 | -63.9 | -11.1 | 0 | 0 | 0 | 111.5 | H134 S181 V182 | H134-W160 HydrophobicContact CB-CD2 4.49Å; W160-S181 CarbonylContact O-C 3.59Å; W160-S181 WeakPolarHBondContact O-CA 3.43Å; W160-V182 HydrophobicContact CB-CG2 3.77Å; W160-V182 PolarHBondContact O-N 2.99Å | ||
| 161 | I | 90.8 | Very high | 83.7 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.3 | 179.5 | -59.4 | -57.5 | 0 | 0 | 0 | 109.4 | N132 I138 D159 A179 K187 W189 | N132-I161 HydrophobicContact CB-CB 4.03Å; N132-I161 HydrophobicContact CB-CG2 3.85Å; N132-I161 PolarHBondContact ND2-O 2.79Å; I138-I161 HydrophobicContact CG1-CG1 4.07Å; I138-I161 HydrophobicContact CG1-CG2 4.47Å; D159-I161 PolarHBondContact O-N 2.94Å; I161-A179 HydrophobicContact CD1-CB 4.33Å; I161-A179 HydrophobicContact CG2-CB 3.66Å; I161-K187 HydrophobicContact CD1-CD 4.2Å; I161-W189 HydrophobicContact CD1-CH2 4.21Å |
| 162 | S | 89.2 | Confident | 82.3 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -47.5 | -179.2 | -59.1 | 0 | 0 | 0 | 0 | 112 | N132 V180 V182 C217 | N132-S162 PolarHBondContact ND2-O 3.29Å; S162-V180 PolarHBondContact N-O 3.42Å; S162-V182 VanDerWaalsContact OG-CA 3.28Å; S162-V182 WeakPolarHBondContact OG-CA 3.46Å; S162-V182 VanDerWaalsContact OG-CG2 3.25Å; S162-V182 WeakPolarHBondContact OG-CG2 3.44Å; S162-V182 PolarHBondContact OG-N 2.65Å; S162-C217 VanDerWaalsContact CB-O 3.28Å; S162-C217 WeakPolarHBondContact CB-O 3.2Å |
| 163 | S | 90.4 | Very high | 81 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 153.4 | -179.9 | -162.1 | 0 | 0 | 0 | 0 | 110.6 | A179 V180 I220 | S163-A179 WeakPolarHBondContact O-CA 3.31Å; S163-V180 PolarHBondContact O-N 2.73Å; S163-I220 PolarHBondContact OG-N 3.47Å |
| 164 | M | 92.4 | Very high | 80.2 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.3 | -179.4 | 65.1 | -173.5 | 168.7 | 0 | 0 | 111 | Q115 L130 N132 I138 V178 A179 | Q115-M164 HydrophobicContact CB-CE 4.2Å; Q115-M164 HydrophobicContact CG-CE 4.12Å; Q115-M164 PolarHBondContact NE2-O 3.4Å; L130-M164 VanDerWaalsContact C-CE 3.48Å; L130-M164 HydrophobicContact CB-CE 3.98Å; L130-M164 HydrophobicContact CB-SD 3.95Å; L130-M164 WeakPolarHBondContact O-CE 3.38Å; N132-M164 HydrophobicContact CB-CE 4.29Å; N132-M164 HydrophobicContact CB-SD 4.16Å; N132-M164 WeakPolarHBondContact OD1-CE 3.37Å; I138-M164 HydrophobicContact CD1-SD 4.42Å; I138-M164 HydrophobicContact CG2-SD 3.95Å; M164-V178 CarbonylContact C-O 3.55Å; M164-V178 VanDerWaalsContact CA-O 3.31Å; M164-V178 WeakPolarHBondContact CA-O 3.44Å; M164-A179 HydrophobicContact CB-CB 3.86Å |
| 165 | S | 89.7 | Confident | 80 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.4 | 174.7 | -166.7 | 0 | 0 | 0 | 0 | 109.8 | V178 | S165-V178 PolarHBondContact N-O 3.41Å; S165-V178 PolarHBondContact O-N 2.91Å |
| 166 | I | 87.8 | Confident | 80.2 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.1 | 179.6 | -51.6 | 169.8 | 0 | 0 | 0 | 108.9 | Q115 Y117 L130 R168 | Q115-I166 HydrophobicContact CB-CD1 4.34Å; Y117-I166 HydrophobicContact CD2-CD1 3.89Å; Y117-I166 HydrophobicContact CD2-CG2 4.07Å; Y117-I166 HydrophobicContact CE2-CG2 4.22Å; Y117-I166 HydrophobicContact CG-CD1 4.12Å; L130-I166 HydrophobicContact CD1-CD1 3.61Å; L130-I166 HydrophobicContact CD1-CG1 3.75Å; I166-R168 HydrophobicContact CG2-CG 4.31Å |
| 167 | I | 84.3 | Confident | 80.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118 | 174 | -56.5 | 174.9 | 0 | 0 | 0 | 107.7 | T176 V178 F222 | I167-T176 PolarHBondContact N-O 3.24Å; I167-T176 PolarHBondContact O-N 3.46Å; I167-V178 HydrophobicContact CD1-CG2 3.63Å; I167-V178 HydrophobicContact CG1-CG2 4.36Å; I167-F222 HydrophobicContact CD1-CD2 3.71Å; I167-F222 HydrophobicContact CD1-CE2 3.62Å; I167-F222 HydrophobicContact CD1-CG 4.32Å; I167-F222 HydrophobicContact CD1-CZ 4.18Å; I167-F222 HydrophobicContact CG1-CD1 4.24Å; I167-F222 HydrophobicContact CG1-CD2 3.88Å; I167-F222 HydrophobicContact CG1-CE1 4.38Å; I167-F222 HydrophobicContact CG1-CE2 4.02Å; I167-F222 HydrophobicContact CG1-CG 3.97Å; I167-F222 HydrophobicContact CG1-CZ 4.26Å; I167-F222 HydrophobicContact CG2-CD1 4.48Å; I167-F222 HydrophobicContact CG2-CE1 3.89Å; I167-F222 HydrophobicContact CG2-CE2 4.33Å; I167-F222 HydrophobicContact CG2-CZ 3.79Å |
| 168 | R | 76.8 | Confident | 81.1 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116 | 177 | -62.8 | -167.5 | -171.6 | 177.5 | 3.8 | 110.8 | I166 D175 | I166-R168 HydrophobicContact CG2-CG 4.31Å; R168-D175 VanDerWaalsContact CA-OD1 3.3Å; R168-D175 WeakPolarHBondContact CA-OD1 3.5Å |
| 169 | S | 67.4 | Low | 81.5 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | trans | -93.1 | 107.4 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | R171 T172 Q173 E174 | S169-R171 PolarHBondContact O-N 2.78Å; S169-R171 PolarHBondContact OG-N 2.97Å; S169-T172 WeakPolarHBondContact CB-OG1 3.43Å; S169-T172 PolarHBondContact OG-N 3.26Å; S169-T172 VanDerWaalsContact OG-N 3.11Å; S169-T172 PolarHBondContact OG-OG1 3.29Å; S169-Q173 PolarHBondContact O-N 2.88Å; S169-E174 WeakPolarHBondContact CB-O 3.37Å | ||
| 170 | H | 61.9 | Low | 81.7 | Confident | 160 Ų | 160 | 56.3 Ų | 56.3 | 74% | 0.741 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.9 | 172 | -66.1 | -61.7 | 0 | 0 | 0 | 113.1 | ||
| 171 | R | 59.1 | Low | 81.8 | Confident | 240 Ų | 240 | 50.2 Ų | 50.2 | 91% | 0.906 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -39.9 | -174.4 | -67.5 | -174.5 | 179.2 | -175.6 | 1.8 | 113.4 | S169 | S169-R171 PolarHBondContact O-N 2.78Å; S169-R171 PolarHBondContact OG-N 2.97Å |
| 172 | T | 59.9 | Low | 81.6 | Confident | 81 Ų | 81 | 53 Ų | 53 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -12.4 | -172.6 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | S169 E174 | S169-T172 WeakPolarHBondContact CB-OG1 3.43Å; S169-T172 PolarHBondContact OG-N 3.26Å; S169-T172 VanDerWaalsContact OG-N 3.11Å; S169-T172 PolarHBondContact OG-OG1 3.29Å; T172-E174 PolarHBondContact O-N 2.88Å; T172-E174 VanDerWaalsContact O-N 3.1Å |
| 173 | Q | 63.5 | Low | 81.6 | Confident | 178 Ų | 178 | 54.3 Ų | 54.3 | 83% | 0.832 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 56.3 | 13.4 | -170.2 | -59.9 | -167.1 | -4.8 | 0 | 0 | 114.4 | S169 | S169-Q173 PolarHBondContact O-N 2.88Š|
| 174 | E | 72.9 | Confident | 81.4 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | trans | -102.8 | 121.4 | 172.3 | -63.6 | 175.3 | 162.9 | 0 | 0 | 107.6 | S169 T172 M190 T192 | S169-E174 WeakPolarHBondContact CB-O 3.37Å; T172-E174 PolarHBondContact O-N 2.88Å; T172-E174 VanDerWaalsContact O-N 3.1Å; E174-M190 HydrophobicContact CB-CE 3.48Å; E174-M190 VanDerWaalsContact CB-CE 3.48Å; E174-M190 HydrophobicContact CG-CE 4.12Å; E174-M190 WeakPolarHBondContact OE2-CE 3.35Å; E174-T192 HydrophobicContact CG-CG2 4.43Å | ||
| 175 | D | 84.8 | Confident | 81.3 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.8 | 175.7 | -72.4 | -26.1 | 0 | 0 | 0 | 108.8 | Y117 R168 I191 | Y117-D175 HydrophobicContact CE2-CB 4.12Å; Y117-D175 WeakPolarHBondContact CE2-OD2 3.46Å; Y117-D175 VanDerWaalsContact CZ-OD2 3.28Å; Y117-D175 WeakPolarHBondContact OH-CB 3.48Å; Y117-D175 PolarHBondContact OH-OD2 2.67Å; R168-D175 VanDerWaalsContact CA-OD1 3.3Å; R168-D175 WeakPolarHBondContact CA-OD1 3.5Å; D175-I191 PolarHBondContact N-O 2.76Å; D175-I191 PolarHBondContact O-N 3.21Å |
| 176 | T | 88.1 | Confident | 81.4 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.7 | -174.6 | -50 | 0 | 0 | 0 | 0 | 109.6 | I167 V178 V188 W189 M190 | I167-T176 PolarHBondContact N-O 3.24Å; I167-T176 PolarHBondContact O-N 3.46Å; T176-V178 HydrophobicContact CG2-CG2 4.16Å; T176-V188 HydrophobicContact CG2-CG1 3.26Å; T176-W189 CarbonylContact C-O 3.59Å; T176-W189 WeakPolarHBondContact CA-O 3.5Å; T176-M190 HydrophobicContact CG2-SD 3.83Å; T176-M190 PolarHBondContact OG1-SD 3.08Å |
| 177 | V | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.2 | 169 | 179 | 0 | 0 | 0 | 0 | 108 | L130 I138 L152 V188 W189 I191 | L130-V177 HydrophobicContact CD1-CG1 4.31Å; L130-V177 HydrophobicContact CD1-CG2 3.64Å; I138-V177 HydrophobicContact CD1-CG1 4.11Å; L152-V177 HydrophobicContact CD1-CB 4.42Å; L152-V177 HydrophobicContact CD1-CG1 4.35Å; L152-V177 HydrophobicContact CD1-CG2 4.43Å; V177-V188 WeakPolarHBondContact O-CA 3.33Å; V177-W189 HydrophobicContact CB-CB 4.4Å; V177-W189 HydrophobicContact CG1-CE3 4.28Å; V177-W189 PolarHBondContact N-O 2.89Å; V177-W189 PolarHBondContact O-N 3.31Å; V177-I191 HydrophobicContact CG2-CD1 3.38Å; V177-I191 HydrophobicContact CG2-CG1 4.03Å |
| 178 | V | 91.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.4 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | M164 S165 I167 T176 L186 K187 I220 L230 | M164-V178 CarbonylContact C-O 3.55Å; M164-V178 VanDerWaalsContact CA-O 3.31Å; M164-V178 WeakPolarHBondContact CA-O 3.44Å; S165-V178 PolarHBondContact N-O 3.41Å; S165-V178 PolarHBondContact O-N 2.91Å; I167-V178 HydrophobicContact CD1-CG2 3.63Å; I167-V178 HydrophobicContact CG1-CG2 4.36Å; T176-V178 HydrophobicContact CG2-CG2 4.16Å; V178-L186 HydrophobicContact CG1-CD1 3.91Å; V178-L186 HydrophobicContact CG1-CD2 4.12Å; V178-L186 HydrophobicContact CG1-CG 3.89Å; V178-K187 WeakPolarHBondContact CA-O 3.3Å; V178-I220 WeakPolarHBondContact O-CD1 3.04Å; V178-L230 HydrophobicContact CG1-CD2 4.43Å |
| 179 | A | 92 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I138 I161 S163 M164 L186 K187 W189 | I138-A179 HydrophobicContact CD1-CB 3.91Å; I161-A179 HydrophobicContact CD1-CB 4.33Å; I161-A179 HydrophobicContact CG2-CB 3.66Å; S163-A179 WeakPolarHBondContact O-CA 3.31Å; M164-A179 HydrophobicContact CB-CB 3.86Å; A179-L186 WeakPolarHBondContact O-CA 3.46Å; A179-K187 PolarHBondContact N-O 2.83Å; A179-K187 PolarHBondContact O-N 2.91Å; A179-W189 HydrophobicContact CB-CH2 4.19Å; A179-W189 HydrophobicContact CB-CZ3 3.62Å |
| 180 | V | 92.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.8 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | S162 S163 I185 I212 C217 I220 | S162-V180 PolarHBondContact N-O 3.42Å; S163-V180 PolarHBondContact O-N 2.73Å; V180-I185 WeakPolarHBondContact CA-O 3.39Å; V180-I212 HydrophobicContact CG1-CD1 4.26Å; V180-I212 HydrophobicContact CG2-CD1 4Å; V180-C217 HydrophobicContact CG1-CB 3.84Å; V180-I220 HydrophobicContact CB-CG2 4.31Å; V180-I220 HydrophobicContact CG2-CD1 4.39Å; V180-I220 HydrophobicContact CG2-CG2 3.78Å |
| 181 | S | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 164.7 | 176.4 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | D159 W160 T183 G184 I185 | D159-S181 WeakPolarHBondContact OD2-CB 3.1Å; D159-S181 PolarHBondContact OD2-OG 3.49Å; W160-S181 CarbonylContact O-C 3.59Å; W160-S181 WeakPolarHBondContact O-CA 3.43Å; S181-T183 PolarHBondContact O-N 2.81Å; S181-T183 PolarHBondContact OG-OG1 3.15Å; S181-G184 PolarHBondContact O-N 2.91Å; S181-G184 PolarHBondContact OG-N 2.94Å; S181-I185 PolarHBondContact N-O 3.4Å; S181-I185 WeakPolarHBondContact OG-CB 3.23Å; S181-I185 PolarHBondContact OG-N 3.2Å; S181-I185 PolarHBondContact OG-O 3.11Å |
| 182 | V | 88 | Confident | 84.9 | Confident | 59 Ų | 59 | 30.8 Ų | 30.8 | 36% | 0.358 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.8 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | D159 W160 S162 G184 Q215 | D159-V182 PolarHBondContact OD2-N 2.66Å; W160-V182 HydrophobicContact CB-CG2 3.77Å; W160-V182 PolarHBondContact O-N 2.99Å; S162-V182 VanDerWaalsContact OG-CA 3.28Å; S162-V182 WeakPolarHBondContact OG-CA 3.46Å; S162-V182 VanDerWaalsContact OG-CG2 3.25Å; S162-V182 WeakPolarHBondContact OG-CG2 3.44Å; S162-V182 PolarHBondContact OG-N 2.65Å; V182-G184 PolarHBondContact O-N 2.93Å; V182-Q215 PolarHBondContact O-OE1 3.03Å |
| 183 | T | 87.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 36% | 0.362 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 0.9 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | D159 S181 Q215 | D159-T183 VanDerWaalsContact OD2-CB 3.22Å; D159-T183 WeakPolarHBondContact OD2-CB 3.34Å; D159-T183 WeakPolarHBondContact OD2-CG2 2.94Å; D159-T183 PolarHBondContact OD2-N 3.41Å; D159-T183 PolarHBondContact OD2-OG1 3.32Å; S181-T183 PolarHBondContact O-N 2.81Å; S181-T183 PolarHBondContact OG-OG1 3.15Å; T183-Q215 PolarHBondContact O-NE2 3.32Å |
| 184 | G | 87.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | 75.8 | 28.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | S181 V182 I212 Y213 C214 | S181-G184 PolarHBondContact O-N 2.91Å; S181-G184 PolarHBondContact OG-N 2.94Å; V182-G184 PolarHBondContact O-N 2.93Å; G184-I212 WeakPolarHBondContact O-CG1 3.46Å; G184-I212 PolarHBondContact O-N 3.48Å; G184-I212 VanDerWaalsContact O-N 3.17Å; G184-Y213 PolarHBondContact O-N 2.85Å; G184-Y213 VanDerWaalsContact O-N 3.09Å; G184-C214 VanDerWaalsContact CA-O 3.3Å; G184-C214 WeakPolarHBondContact CA-O 3.26Å | ||
| 185 | I | 90.6 | Very high | 84.4 | Confident | 37 Ų | 37 | 25.4 Ų | 25.4 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.3 | 171.6 | -56.9 | 175.3 | 0 | 0 | 0 | 108.1 | V180 S181 K187 | V180-I185 WeakPolarHBondContact CA-O 3.39Å; S181-I185 PolarHBondContact N-O 3.4Å; S181-I185 WeakPolarHBondContact OG-CB 3.23Å; S181-I185 PolarHBondContact OG-N 3.2Å; S181-I185 PolarHBondContact OG-O 3.11Å; I185-K187 HydrophobicContact CG2-CG 4.31Å |
| 186 | L | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.7 | 172.6 | -176.1 | 146.5 | 0 | 0 | 0 | 109.1 | V178 A179 V188 S209 K210 I212 L230 Y246 | V178-L186 HydrophobicContact CG1-CD1 3.91Å; V178-L186 HydrophobicContact CG1-CD2 4.12Å; V178-L186 HydrophobicContact CG1-CG 3.89Å; A179-L186 WeakPolarHBondContact O-CA 3.46Å; L186-V188 HydrophobicContact CD2-CG2 3.54Å; L186-S209 CarbonylContact O-C 3.56Å; L186-S209 WeakPolarHBondContact O-CA 3.46Å; L186-K210 PolarHBondContact N-O 2.94Å; L186-K210 PolarHBondContact O-N 3.31Å; L186-I212 HydrophobicContact CB-CD1 4.1Å; L186-I212 HydrophobicContact CB-CG1 4.17Å; L186-I212 HydrophobicContact CB-CG2 3.99Å; L186-I212 HydrophobicContact CD1-CD1 4.28Å; L186-I212 HydrophobicContact CD1-CG2 4.42Å; L186-L230 HydrophobicContact CD1-CD2 3.75Å; L186-Y246 HydrophobicContact CD1-CD1 3.59Å; L186-Y246 HydrophobicContact CD1-CE1 3.8Å; L186-Y246 HydrophobicContact CD1-CG 4.19Å; L186-Y246 HydrophobicContact CD2-CD1 4.06Å; L186-Y246 HydrophobicContact CD2-CD2 4.13Å; L186-Y246 HydrophobicContact CD2-CE1 3.82Å; L186-Y246 HydrophobicContact CD2-CE2 3.9Å; L186-Y246 HydrophobicContact CD2-CG 4.2Å; L186-Y246 HydrophobicContact CG-CE1 4.49Å |
| 187 | K | 91.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.4 | -177.6 | -61.9 | 179.6 | -179 | -172.8 | 0 | 110.2 | S154 S157 I161 V178 A179 I185 W189 E206 E208 | S154-K187 WeakPolarHBondContact OG-CE 3.14Å; S154-K187 PolarHBondContact OG-NZ 2.93Å; S157-K187 WeakPolarHBondContact O-CE 3.43Å; S157-K187 PolarHBondContact O-NZ 2.89Å; I161-K187 HydrophobicContact CD1-CD 4.2Å; V178-K187 WeakPolarHBondContact CA-O 3.3Å; A179-K187 PolarHBondContact N-O 2.83Å; A179-K187 PolarHBondContact O-N 2.91Å; I185-K187 HydrophobicContact CG2-CG 4.31Å; K187-W189 HydrophobicContact CB-CE3 4.27Å; K187-W189 HydrophobicContact CB-CH2 3.29Å; K187-W189 HydrophobicContact CB-CZ2 3.99Å; K187-W189 HydrophobicContact CB-CZ3 3.43Å; K187-W189 VanDerWaalsContact CB-CZ3 3.43Å; K187-W189 HydrophobicContact CD-CH2 3.67Å; K187-W189 HydrophobicContact CD-CZ2 4.05Å; K187-W189 HydrophobicContact CG-CH2 4.13Å; K187-E206 WeakPolarHBondContact CD-OE2 3.48Å; K187-E208 WeakPolarHBondContact CA-O 3.27Å |
| 188 | V | 91.3 | Very high | 79.5 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124 | -173.8 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | T176 V177 L186 E206 E207 E208 Y246 | T176-V188 HydrophobicContact CG2-CG1 3.26Å; V177-V188 WeakPolarHBondContact O-CA 3.33Å; L186-V188 HydrophobicContact CD2-CG2 3.54Å; V188-E206 WeakPolarHBondContact O-CA 3.38Å; V188-E207 PolarHBondContact O-N 3.29Å; V188-E208 HydrophobicContact CB-CB 4.04Å; V188-E208 HydrophobicContact CG2-CB 4.1Å; V188-E208 PolarHBondContact N-O 2.85Å; V188-E208 PolarHBondContact O-N 3.03Å; V188-Y246 HydrophobicContact CG2-CE2 4.19Å; V188-Y246 WeakPolarHBondContact CG2-OH 3.23Å |
| 189 | W | 90.4 | Very high | 77.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.3 | 172 | -61.7 | -97.2 | 0 | 0 | 0 | 110.1 | I138 L152 V153 I161 T176 V177 A179 K187 E206 | I138-W189 HydrophobicContact CD1-CE3 4.2Å; I138-W189 HydrophobicContact CD1-CH2 3.94Å; I138-W189 HydrophobicContact CD1-CZ3 3.76Å; L152-W189 HydrophobicContact CB-CD2 4.24Å; L152-W189 HydrophobicContact CB-CG 4.13Å; L152-W189 HydrophobicContact CD1-CB 4.25Å; L152-W189 HydrophobicContact CD1-CD2 4.4Å; L152-W189 HydrophobicContact CD1-CG 4.16Å; V153-W189 PolarHBondContact O-NE1 2.95Å; I161-W189 HydrophobicContact CD1-CH2 4.21Å; T176-W189 CarbonylContact C-O 3.59Å; T176-W189 WeakPolarHBondContact CA-O 3.5Å; V177-W189 HydrophobicContact CB-CB 4.4Å; V177-W189 HydrophobicContact CG1-CE3 4.28Å; V177-W189 PolarHBondContact N-O 2.89Å; V177-W189 PolarHBondContact O-N 3.31Å; A179-W189 HydrophobicContact CB-CH2 4.19Å; A179-W189 HydrophobicContact CB-CZ3 3.62Å; K187-W189 HydrophobicContact CB-CE3 4.27Å; K187-W189 HydrophobicContact CB-CH2 3.29Å; K187-W189 HydrophobicContact CB-CZ2 3.99Å; K187-W189 HydrophobicContact CB-CZ3 3.43Å; K187-W189 VanDerWaalsContact CB-CZ3 3.43Å; K187-W189 HydrophobicContact CD-CH2 3.67Å; K187-W189 HydrophobicContact CD-CZ2 4.05Å; K187-W189 HydrophobicContact CG-CH2 4.13Å; W189-E206 HydrophobicContact CD2-CB 4.42Å; W189-E206 HydrophobicContact CZ2-CB 4.39Å |
| 190 | M | 85.9 | Confident | 75.6 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.2 | 174.6 | -65.5 | -64.5 | -81.1 | 0 | 0 | 109.4 | E174 T176 E207 | E174-M190 HydrophobicContact CB-CE 3.48Å; E174-M190 VanDerWaalsContact CB-CE 3.48Å; E174-M190 HydrophobicContact CG-CE 4.12Å; E174-M190 WeakPolarHBondContact OE2-CE 3.35Å; T176-M190 HydrophobicContact CG2-SD 3.83Å; T176-M190 PolarHBondContact OG1-SD 3.08Å; M190-E207 HydrophobicContact CB-CG 4.2Å; M190-E207 HydrophobicContact CG-CG 3.76Å |
| 191 | I | 80.4 | Confident | 74 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.3 | 175.7 | -56.5 | -176.3 | 0 | 0 | 0 | 107.7 | Y117 F119 L130 D175 V177 | Y117-I191 HydrophobicContact CE1-CG2 4.21Å; F119-I191 HydrophobicContact CE2-CG2 3.95Å; L130-I191 HydrophobicContact CD2-CD1 4.44Å; D175-I191 PolarHBondContact N-O 2.76Å; D175-I191 PolarHBondContact O-N 3.21Å; V177-I191 HydrophobicContact CG2-CD1 3.38Å; V177-I191 HydrophobicContact CG2-CG1 4.03Å |
| 192 | T | 72.3 | Confident | 73 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | trans | -107.1 | 161.6 | 177.7 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | E174 E194 V195 | E174-T192 HydrophobicContact CG-CG2 4.43Å; T192-E194 PolarHBondContact O-N 2.86Å; T192-E194 PolarHBondContact OG1-N 2.73Å; T192-V195 WeakPolarHBondContact O-CB 3.38Å; T192-V195 PolarHBondContact O-N 3.5Å | ||
| 193 | A | 64.2 | Low | 72.5 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S196 | A193-S196 PolarHBondContact O-OG 2.82Å; A193-S196 VanDerWaalsContact O-OG 3.04Å |
| 194 | E | 58.3 | Low | 72.4 | Confident | 148 Ų | 148 | 61 Ų | 61 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -27.5 | -179.1 | -64.5 | -179.8 | 164 | 0 | 0 | 112.7 | T192 S196 K197 | T192-E194 PolarHBondContact O-N 2.86Å; T192-E194 PolarHBondContact OG1-N 2.73Å; E194-S196 PolarHBondContact O-N 3.18Å; E194-S196 VanDerWaalsContact O-N 3.11Å; E194-K197 PolarHBondContact O-N 3.22Å |
| 195 | V | 61.5 | Low | 72.4 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -53.7 | -31 | 174.6 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | T192 K197 M198 I204 | T192-V195 WeakPolarHBondContact O-CB 3.38Å; T192-V195 PolarHBondContact O-N 3.5Å; V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 2.9Å; V195-M198 PolarHBondContact O-N 2.74Å; V195-I204 HydrophobicContact CB-CD1 4.36Å; V195-I204 HydrophobicContact CG1-CD1 3.17Å; V195-I204 HydrophobicContact CG1-CG1 4.19Å; V195-I204 HydrophobicContact CG2-CD1 4.27Å |
| 196 | S | 52.5 | Low | 72.4 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -75.4 | -9 | 179.6 | 71.1 | 0 | 0 | 0 | 0 | 114.9 | A193 E194 | A193-S196 PolarHBondContact O-OG 2.82Å; A193-S196 VanDerWaalsContact O-OG 3.04Å; E194-S196 PolarHBondContact O-N 3.18Å; E194-S196 VanDerWaalsContact O-N 3.11Å |
| 197 | K | 53.8 | Low | 72.1 | Confident | 173 Ų | 173 | 70.7 Ų | 70.7 | 75% | 0.752 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -89.1 | -9.5 | 174.3 | -66.8 | -179.2 | -176.8 | 170.6 | 0 | 112.6 | E194 V195 Q199 | E194-K197 PolarHBondContact O-N 3.22Å; V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 2.9Å; K197-Q199 PolarHBondContact O-N 3.11Å |
| 198 | M | 54.8 | Low | 72 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -65.9 | 123.8 | 172.9 | -71 | -164.7 | 173.1 | 0 | 0 | 108.9 | V195 | V195-M198 PolarHBondContact O-N 2.74Š|
| 199 | Q | 47.2 | Very low | 71.9 | Confident | 175 Ų | 175 | 75.9 Ų | 75.9 | 82% | 0.818 | 39% | 0.39 | S | S | * | . | trans | -71.1 | 126.4 | 173.2 | -73.5 | 176.2 | -9.9 | 0 | 0 | 108.2 | K197 | K197-Q199 PolarHBondContact O-N 3.11Š| ||
| 200 | D | 54.9 | Low | 71.8 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 56.4 | 117.5 | 162 | -77.7 | -20.2 | 0 | 0 | 0 | 119.1 | D202 K1112 | D200-D202 PolarHBondContact O-N 3.42Å; D200-K1112 IonicContact OD1-NZ 3.81Å; D200-K1112 PolarHBondContact OD1-NZ 2.88Å; D200-K1112 IonicContact OD2-NZ 3.87Å; D200-K1112 PolarHBondContact OD2-NZ 3.03Å |
| 201 | L | 60.1 | Low | 71.8 | Confident | 112 Ų | 112 | 80 Ų | 80 | 59% | 0.586 | 41% | 0.413 | S | S | * | . | trans | 52.4 | -1.6 | 152.8 | -70.2 | 163 | 0 | 0 | 0 | 119.3 | P203 | L201-P203 WeakPolarHBondContact O-CD 3.28Š| ||
| 202 | D | 68.6 | Low | 72.1 | Confident | 103 Ų | 103 | 80.5 Ų | 80.5 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 124.4 | -176.9 | -83.2 | -21.4 | 0 | 0 | 0 | 110.2 | D200 | D200-D202 PolarHBondContact O-N 3.42Š|
| 203 | P | 78.8 | Confident | 72.5 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 138.2 | -177.5 | 26.6 | -33.6 | 0 | 0 | 0 | 111.2 | S151 V153 L201 F205 | S151-P203 WeakPolarHBondContact O-CA 3.46Å; V153-P203 HydrophobicContact CB-CB 4.12Å; V153-P203 HydrophobicContact CG2-CB 3.52Å; L201-P203 WeakPolarHBondContact O-CD 3.28Å; P203-F205 HydrophobicContact CB-CE1 4.3Å; P203-F205 HydrophobicContact CB-CZ 4.24Å; P203-F205 HydrophobicContact CG-CE1 4.17Å; P203-F205 HydrophobicContact CG-CE2 4.4Å; P203-F205 HydrophobicContact CG-CZ 3.71Å; P203-F205 WeakPolarHBondContact O-CE2 3.27Å |
| 204 | I | 84.6 | Confident | 73.4 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134.3 | 175 | -55.4 | 174.7 | 0 | 0 | 0 | 108.7 | Y150 S151 L152 V153 V195 | Y150-I204 HydrophobicContact CD2-CD1 3.58Å; Y150-I204 HydrophobicContact CD2-CG1 4.09Å; Y150-I204 HydrophobicContact CE2-CD1 3.29Å; Y150-I204 HydrophobicContact CE2-CG1 4.27Å; S151-I204 PolarHBondContact O-N 3.04Å; L152-I204 CarbonylContact C-O 3.58Å; L152-I204 WeakPolarHBondContact CA-O 3.38Å; L152-I204 HydrophobicContact CD2-CB 3.75Å; L152-I204 HydrophobicContact CD2-CD1 3.8Å; L152-I204 HydrophobicContact CD2-CG1 4.26Å; L152-I204 HydrophobicContact CD2-CG2 4.19Å; V153-I204 PolarHBondContact N-O 2.82Å; V195-I204 HydrophobicContact CB-CD1 4.36Å; V195-I204 HydrophobicContact CG1-CD1 3.17Å; V195-I204 HydrophobicContact CG1-CG1 4.19Å; V195-I204 HydrophobicContact CG2-CD1 4.27Å |
| 205 | F | 87.6 | Confident | 74.6 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 154.8 | -176.9 | -58.1 | -66.7 | 0 | 0 | 0 | 112.4 | V153 K155 P203 | V153-F205 HydrophobicContact CB-CD1 4.17Å; V153-F205 HydrophobicContact CB-CE1 4.1Å; V153-F205 HydrophobicContact CG1-CE1 4.25Å; V153-F205 WeakPolarHBondContact O-CA 3.39Å; K155-F205 HydrophobicContact CD-CB 4.35Å; K155-F205 HydrophobicContact CD-CD1 3.75Å; K155-F205 HydrophobicContact CD-CD2 4.3Å; K155-F205 HydrophobicContact CD-CE1 4.04Å; K155-F205 HydrophobicContact CD-CG 3.84Å; K155-F205 HydrophobicContact CD-CZ 4.43Å; K155-F205 HydrophobicContact CG-CD1 3.42Å; K155-F205 VanDerWaalsContact CG-CD1 3.42Å; K155-F205 HydrophobicContact CG-CE1 3.68Å; K155-F205 HydrophobicContact CG-CG 4.02Å; K155-F205 HydrophobicContact CG-CZ 4.49Å; P203-F205 HydrophobicContact CB-CE1 4.3Å; P203-F205 HydrophobicContact CB-CZ 4.24Å; P203-F205 HydrophobicContact CG-CE1 4.17Å; P203-F205 HydrophobicContact CG-CE2 4.4Å; P203-F205 HydrophobicContact CG-CZ 3.71Å; P203-F205 WeakPolarHBondContact O-CE2 3.27Å |
| 206 | E | 89.8 | Confident | 75.6 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 142.9 | 176.8 | 71.1 | -151.1 | 156.1 | 0 | 0 | 111.8 | V153 S154 K155 I156 K187 V188 W189 S209 | V153-E206 PolarHBondContact O-N 2.92Å; S154-E206 WeakPolarHBondContact CA-OE1 3.43Å; S154-E206 WeakPolarHBondContact CA-OE2 3.35Å; S154-E206 WeakPolarHBondContact CB-OE2 2.95Å; S154-E206 PolarHBondContact OG-OE1 3.05Å; S154-E206 PolarHBondContact OG-OE2 3.18Å; K155-E206 PolarHBondContact N-OE1 3.37Å; K155-E206 VanDerWaalsContact N-OE1 3.15Å; I156-E206 WeakPolarHBondContact CB-OE1 3.25Å; I156-E206 PolarHBondContact N-OE1 2.71Å; I156-E206 VanDerWaalsContact N-OE1 3.1Å; K187-E206 WeakPolarHBondContact CD-OE2 3.48Å; V188-E206 WeakPolarHBondContact O-CA 3.38Å; W189-E206 HydrophobicContact CD2-CB 4.42Å; W189-E206 HydrophobicContact CZ2-CB 4.39Å; E206-S209 PolarHBondContact OE1-OG 3.43Å; E206-S209 PolarHBondContact OE2-OG 2.87Å |
| 207 | E | 86.8 | Confident | 77.4 | Confident | 148 Ų | 148 | 80 Ų | 80 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -85.7 | -40.1 | 174.2 | -70.1 | -64 | 150.9 | 0 | 0 | 110.9 | V188 M190 | V188-E207 PolarHBondContact O-N 3.29Å; M190-E207 HydrophobicContact CB-CG 4.2Å; M190-E207 HydrophobicContact CG-CG 3.76Å |
| 208 | E | 87.6 | Confident | 79.1 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.8 | -179.3 | -165.6 | -179.7 | 172.6 | 0 | 0 | 111 | K187 V188 | K187-E208 WeakPolarHBondContact CA-O 3.27Å; V188-E208 HydrophobicContact CB-CB 4.04Å; V188-E208 HydrophobicContact CG2-CB 4.1Å; V188-E208 PolarHBondContact N-O 2.85Å; V188-E208 PolarHBondContact O-N 3.03Å |
| 209 | S | 89.4 | Confident | 80.9 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 118.5 | 169.2 | -78.5 | 0 | 0 | 0 | 0 | 109.2 | L186 E206 | L186-S209 CarbonylContact O-C 3.56Å; L186-S209 WeakPolarHBondContact O-CA 3.46Å; E206-S209 PolarHBondContact OE1-OG 3.43Å; E206-S209 PolarHBondContact OE2-OG 2.87Å |
| 210 | K | 88.6 | Confident | 83 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.8 | -176.1 | -171.9 | 171.3 | 177.6 | 172.6 | 0 | 111.2 | L186 I212 D245 Y246 | L186-K210 PolarHBondContact N-O 2.94Å; L186-K210 PolarHBondContact O-N 3.31Å; K210-I212 PolarHBondContact O-N 2.88Å; K210-D245 PolarHBondContact NZ-O 2.9Å; K210-Y246 HydrophobicContact CD-CD2 4.28Å |
| 211 | P | 86.6 | Confident | 84.7 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.8 | 176.4 | 29.6 | -33 | 0 | 0 | 0 | 110.2 | Y213 | P211-Y213 HydrophobicContact CB-CD2 4.35Å; P211-Y213 HydrophobicContact CB-CE1 4.12Å; P211-Y213 HydrophobicContact CB-CE2 3.85Å; P211-Y213 HydrophobicContact CG-CE2 4.19Å |
| 212 | I | 86.6 | Confident | 86.1 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | trans | -104.1 | -4.7 | 172.5 | 60 | 167.5 | 0 | 0 | 0 | 112.3 | V180 G184 L186 K210 C214 V232 F241 | V180-I212 HydrophobicContact CG1-CD1 4.26Å; V180-I212 HydrophobicContact CG2-CD1 4Å; G184-I212 WeakPolarHBondContact O-CG1 3.46Å; G184-I212 PolarHBondContact O-N 3.48Å; G184-I212 VanDerWaalsContact O-N 3.17Å; L186-I212 HydrophobicContact CB-CD1 4.1Å; L186-I212 HydrophobicContact CB-CG1 4.17Å; L186-I212 HydrophobicContact CB-CG2 3.99Å; L186-I212 HydrophobicContact CD1-CD1 4.28Å; L186-I212 HydrophobicContact CD1-CG2 4.42Å; K210-I212 PolarHBondContact O-N 2.88Å; I212-C214 HydrophobicContact CD1-CB 3.98Å; I212-C214 HydrophobicContact CG1-CB 4.09Å; I212-C214 PolarHBondContact O-N 3.43Å; I212-C214 VanDerWaalsContact O-N 3.12Å; I212-V232 HydrophobicContact CD1-CG2 4.36Å; I212-F241 HydrophobicContact CB-CE1 4.26Å; I212-F241 HydrophobicContact CB-CZ 4.17Å; I212-F241 HydrophobicContact CD1-CE2 4.5Å; I212-F241 HydrophobicContact CG2-CE1 4.35Å | ||
| 213 | Y | 81.1 | Confident | 86.8 | Confident | 165 Ų | 165 | 50.3 Ų | 50.3 | 65% | 0.647 | 25% | 0.254 | S | S | * | . | trans | 52.4 | 31.7 | 177.3 | -56 | -75.4 | 0 | 0 | 0 | 114.1 | G184 P211 Q215 Y237 | G184-Y213 PolarHBondContact O-N 2.85Å; G184-Y213 VanDerWaalsContact O-N 3.09Å; P211-Y213 HydrophobicContact CB-CD2 4.35Å; P211-Y213 HydrophobicContact CB-CE1 4.12Å; P211-Y213 HydrophobicContact CB-CE2 3.85Å; P211-Y213 HydrophobicContact CG-CE2 4.19Å; Y213-Q215 PolarHBondContact O-N 3.1Å; Y213-Y237 PolarHBondContact O-OH 3.1Å | ||
| 214 | C | 82.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -87.7 | 77.4 | 174.4 | -74.2 | 0 | 0 | 0 | 0 | 110.3 | G184 I212 V232 Y237 | G184-C214 VanDerWaalsContact CA-O 3.3Å; G184-C214 WeakPolarHBondContact CA-O 3.26Å; I212-C214 HydrophobicContact CD1-CB 3.98Å; I212-C214 HydrophobicContact CG1-CB 4.09Å; I212-C214 PolarHBondContact O-N 3.43Å; I212-C214 VanDerWaalsContact O-N 3.12Å; C214-V232 HydrophobicContact CB-CG1 3.94Å; C214-Y237 WeakPolarHBondContact CA-OH 3.41Å | ||
| 215 | Q | 83.6 | Confident | 86.5 | Confident | 100 Ų | 100 | 55 Ų | 55 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 138.1 | 179 | -62.5 | -62.3 | -27.6 | 0 | 0 | 111.4 | V182 T183 Y213 Y237 | V182-Q215 PolarHBondContact O-OE1 3.03Å; T183-Q215 PolarHBondContact O-NE2 3.32Å; Y213-Q215 PolarHBondContact O-N 3.1Å; Q215-Y237 PolarHBondContact N-OH 3.28Å |
| 216 | G | 82.7 | Confident | 86 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q218 C234 S235 | G216-Q218 PolarHBondContact O-N 3.29Å; G216-C234 WeakPolarHBondContact O-CA 3.43Å; G216-S235 PolarHBondContact O-N 3.32Å; G216-S235 VanDerWaalsContact O-N 3.14Å |
| 217 | C | 89.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 126.9 | 172 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | S162 V180 | S162-C217 VanDerWaalsContact CB-O 3.28Å; S162-C217 WeakPolarHBondContact CB-O 3.2Å; V180-C217 HydrophobicContact CG1-CB 3.84Å |
| 218 | Q | 89.8 | Confident | 84.9 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -39.2 | 178.8 | -62.6 | -65 | -12.9 | 0 | 0 | 111.6 | G216 V233 T261 | G216-Q218 PolarHBondContact O-N 3.29Å; Q218-V233 PolarHBondContact N-O 3.16Å; Q218-T261 WeakPolarHBondContact CB-O 3.12Å |
| 219 | S | 91.1 | Very high | 84.9 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 146.1 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | V233 | S219-V233 PolarHBondContact N-O 3.28Å; S219-V233 PolarHBondContact O-N 3.29Å |
| 220 | I | 93 | Very high | 84.9 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.4 | 166.6 | 65.6 | 172.3 | 0 | 0 | 0 | 110.6 | S163 V178 V180 L230 L231 V232 | S163-I220 PolarHBondContact OG-N 3.47Å; V178-I220 WeakPolarHBondContact O-CD1 3.04Å; V180-I220 HydrophobicContact CB-CG2 4.31Å; V180-I220 HydrophobicContact CG2-CD1 4.39Å; V180-I220 HydrophobicContact CG2-CG2 3.78Å; I220-L230 HydrophobicContact CB-CD1 4.43Å; I220-L231 CarbonylContact C-O 3.57Å; I220-L231 VanDerWaalsContact CA-O 3.26Å; I220-L231 WeakPolarHBondContact CA-O 3.49Å; I220-V232 HydrophobicContact CG2-CB 4.4Å; I220-V232 HydrophobicContact CG2-CG1 4.18Å; I220-V232 HydrophobicContact CG2-CG2 4.01Å |
| 221 | S | 90 | Very high | 85.1 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.3 | 179.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | L231 F265 | S221-L231 PolarHBondContact N-O 2.58Å; S221-L231 PolarHBondContact O-N 3.13Å; S221-F265 WeakPolarHBondContact O-CE2 3.33Å |
| 222 | F | 88.3 | Confident | 85.4 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.7 | 178.3 | -174.5 | -105 | 0 | 0 | 0 | 111 | I167 S224 Q227 A243 | I167-F222 HydrophobicContact CD1-CD2 3.71Å; I167-F222 HydrophobicContact CD1-CE2 3.62Å; I167-F222 HydrophobicContact CD1-CG 4.32Å; I167-F222 HydrophobicContact CD1-CZ 4.18Å; I167-F222 HydrophobicContact CG1-CD1 4.24Å; I167-F222 HydrophobicContact CG1-CD2 3.88Å; I167-F222 HydrophobicContact CG1-CE1 4.38Å; I167-F222 HydrophobicContact CG1-CE2 4.02Å; I167-F222 HydrophobicContact CG1-CG 3.97Å; I167-F222 HydrophobicContact CG1-CZ 4.26Å; I167-F222 HydrophobicContact CG2-CD1 4.48Å; I167-F222 HydrophobicContact CG2-CE1 3.89Å; I167-F222 HydrophobicContact CG2-CE2 4.33Å; I167-F222 HydrophobicContact CG2-CZ 3.79Å; F222-S224 PolarHBondContact O-N 3.49Å; F222-Q227 HydrophobicContact CE1-CB 3.84Å; F222-Q227 HydrophobicContact CE1-CG 4.08Å; F222-Q227 VanDerWaalsContact CZ-C 3.42Å; F222-Q227 VanDerWaalsContact CZ-CA 3.46Å; F222-Q227 HydrophobicContact CZ-CB 3.92Å; F222-Q227 WeakPolarHBondContact CZ-O 3.4Å; F222-A243 HydrophobicContact CD2-CB 4.42Å; F222-A243 HydrophobicContact CE2-CB 3.51Å; F222-A243 HydrophobicContact CZ-CB 4.3Å |
| 223 | C | 84.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -71.9 | 103.4 | 178.1 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | F225 T226 Q227 S229 F265 | C223-F225 PolarHBondContact O-N 3.5Å; C223-T226 PolarHBondContact SG-OG1 3.31Å; C223-Q227 VanDerWaalsContact O-CA 3.25Å; C223-Q227 WeakPolarHBondContact O-CA 3.49Å; C223-Q227 PolarHBondContact O-N 3.35Å; C223-S229 WeakPolarHBondContact CB-O 3.43Å; C223-S229 PolarHBondContact N-O 3.34Å; C223-F265 HydrophobicContact CB-CD1 3.93Å; C223-F265 HydrophobicContact CB-CD2 3.83Å; C223-F265 HydrophobicContact CB-CE1 3.9Å; C223-F265 HydrophobicContact CB-CE2 3.81Å; C223-F265 HydrophobicContact CB-CG 3.89Å; C223-F265 HydrophobicContact CB-CZ 3.85Å | ||
| 224 | S | 78.8 | Confident | 86.2 | Confident | 81 Ų | 81 | 30.9 Ų | 30.9 | 57% | 0.566 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.3 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 114 | F222 | F222-S224 PolarHBondContact O-N 3.49Š|
| 225 | F | 78.2 | Confident | 86.4 | Confident | 93 Ų | 93 | 32.7 Ų | 32.7 | 41% | 0.408 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -45.1 | -176.9 | -56.4 | -81.2 | 0 | 0 | 0 | 113.2 | C223 A268 F377 | C223-F225 PolarHBondContact O-N 3.5Å; F225-A268 HydrophobicContact CB-CB 4.11Å; F225-F377 HydrophobicContact CZ-CE2 4.38Å |
| 226 | T | 76.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -21.9 | -178 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | C223 S228 A268 | C223-T226 PolarHBondContact SG-OG1 3.31Å; T226-S228 WeakPolarHBondContact CB-OG 3.36Å; T226-S228 PolarHBondContact O-N 2.84Å; T226-S228 VanDerWaalsContact O-N 3.16Å; T226-S228 PolarHBondContact OG1-N 2.89Å; T226-S228 PolarHBondContact OG1-OG 2.77Å; T226-A268 HydrophobicContact CG2-CB 3.6Å |
| 227 | Q | 75.4 | Confident | 86.9 | Confident | 98 Ų | 98 | 36 Ų | 36 | 46% | 0.458 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 53.7 | 26.1 | -172.3 | -54.6 | -174.6 | -13.5 | 0 | 0 | 113.7 | F222 C223 | F222-Q227 HydrophobicContact CE1-CB 3.84Å; F222-Q227 HydrophobicContact CE1-CG 4.08Å; F222-Q227 VanDerWaalsContact CZ-C 3.42Å; F222-Q227 VanDerWaalsContact CZ-CA 3.46Å; F222-Q227 HydrophobicContact CZ-CB 3.92Å; F222-Q227 WeakPolarHBondContact CZ-O 3.4Å; C223-Q227 VanDerWaalsContact O-CA 3.25Å; C223-Q227 WeakPolarHBondContact O-CA 3.49Å; C223-Q227 PolarHBondContact O-N 3.35Å |
| 228 | S | 79.3 | Confident | 87 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | trans | -122.3 | -5.8 | -173.5 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | T226 A243 | T226-S228 WeakPolarHBondContact CB-OG 3.36Å; T226-S228 PolarHBondContact O-N 2.84Å; T226-S228 VanDerWaalsContact O-N 3.16Å; T226-S228 PolarHBondContact OG1-N 2.89Å; T226-S228 PolarHBondContact OG1-OG 2.77Å; S228-A243 VanDerWaalsContact C-CB 3.49Å; S228-A243 PolarHBondContact O-N 2.91Å | ||
| 229 | S | 87.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.2 | -168.9 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | C223 F241 | C223-S229 WeakPolarHBondContact CB-O 3.43Å; C223-S229 PolarHBondContact N-O 3.34Å; S229-F241 CarbonylContact C-O 3.41Å; S229-F241 WeakPolarHBondContact CA-O 2.98Å |
| 230 | L | 89.8 | Confident | 87 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.4 | 178.8 | 178.6 | 68.4 | 0 | 0 | 0 | 109.5 | V178 L186 I220 V232 V240 F241 Y246 | V178-L230 HydrophobicContact CG1-CD2 4.43Å; L186-L230 HydrophobicContact CD1-CD2 3.75Å; I220-L230 HydrophobicContact CB-CD1 4.43Å; L230-V232 HydrophobicContact CD2-CG2 4.26Å; L230-V232 HydrophobicContact CG-CG2 4.19Å; L230-V240 CarbonylContact O-C 3.59Å; L230-V240 WeakPolarHBondContact O-CA 3.43Å; L230-F241 HydrophobicContact CB-CB 4.4Å; L230-F241 PolarHBondContact N-O 3.22Å; L230-F241 PolarHBondContact O-N 3.42Å; L230-Y246 HydrophobicContact CD2-CD1 4.38Å; L230-Y246 HydrophobicContact CD2-CE1 4.45Å |
| 231 | L | 91.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.8 | 172.1 | 174.8 | 67.9 | 0 | 0 | 0 | 109.1 | I220 S221 V233 W238 V240 F265 V271 I273 | I220-L231 CarbonylContact C-O 3.57Å; I220-L231 VanDerWaalsContact CA-O 3.26Å; I220-L231 WeakPolarHBondContact CA-O 3.49Å; S221-L231 PolarHBondContact N-O 2.58Å; S221-L231 PolarHBondContact O-N 3.13Å; L231-V233 HydrophobicContact CD1-CG2 4.29Å; L231-V233 HydrophobicContact CD2-CG2 4.17Å; L231-V233 HydrophobicContact CG-CG2 4Å; L231-W238 HydrophobicContact CD1-CE3 3.87Å; L231-W238 HydrophobicContact CD1-CZ3 4.5Å; L231-V240 HydrophobicContact CD1-CG2 3.94Å; L231-F265 HydrophobicContact CB-CD2 4.28Å; L231-F265 HydrophobicContact CB-CE2 3.49Å; L231-F265 VanDerWaalsContact CB-CE2 3.49Å; L231-F265 HydrophobicContact CB-CZ 3.97Å; L231-V271 HydrophobicContact CD2-CG1 4.42Å; L231-I273 HydrophobicContact CD1-CD1 3.95Å; L231-I273 HydrophobicContact CD2-CD1 3.74Å; L231-I273 HydrophobicContact CG-CD1 4.41Å |
| 232 | V | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.3 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | I212 C214 I220 L230 W238 R239 F241 | I212-V232 HydrophobicContact CD1-CG2 4.36Å; C214-V232 HydrophobicContact CB-CG1 3.94Å; I220-V232 HydrophobicContact CG2-CB 4.4Å; I220-V232 HydrophobicContact CG2-CG1 4.18Å; I220-V232 HydrophobicContact CG2-CG2 4.01Å; L230-V232 HydrophobicContact CD2-CG2 4.26Å; L230-V232 HydrophobicContact CG-CG2 4.19Å; V232-W238 WeakPolarHBondContact O-CA 3.22Å; V232-R239 PolarHBondContact N-O 3.5Å; V232-R239 PolarHBondContact O-N 2.88Å; V232-F241 HydrophobicContact CB-CD2 4.3Å; V232-F241 HydrophobicContact CB-CE2 4.01Å; V232-F241 HydrophobicContact CG2-CD2 3.74Å; V232-F241 HydrophobicContact CG2-CE2 3.82Å |
| 233 | V | 92.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.5 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | Q218 S219 L231 W238 W260 I273 | Q218-V233 PolarHBondContact N-O 3.16Å; S219-V233 PolarHBondContact N-O 3.28Å; S219-V233 PolarHBondContact O-N 3.29Å; L231-V233 HydrophobicContact CD1-CG2 4.29Å; L231-V233 HydrophobicContact CD2-CG2 4.17Å; L231-V233 HydrophobicContact CG-CG2 4Å; V233-W238 HydrophobicContact CB-CB 4.45Å; V233-W238 HydrophobicContact CG1-CB 4.36Å; V233-W238 HydrophobicContact CG2-CB 4.16Å; V233-W260 HydrophobicContact CG1-CB 3.61Å; V233-I273 HydrophobicContact CG1-CG2 4.3Å; V233-I273 HydrophobicContact CG2-CD1 4.15Å |
| 234 | C | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 158.3 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | G216 K236 Y237 W260 | G216-C234 WeakPolarHBondContact O-CA 3.43Å; C234-K236 PolarHBondContact O-N 3.27Å; C234-Y237 CarbonylContact C-O 3.49Å; C234-Y237 VanDerWaalsContact CA-O 3.3Å; C234-Y237 WeakPolarHBondContact CA-O 3.32Å; C234-Y237 HydrophobicContact CB-CD2 3.99Å; C234-Y237 HydrophobicContact CB-CE1 4.47Å; C234-Y237 HydrophobicContact CB-CE2 3.75Å; C234-Y237 HydrophobicContact CB-CG 4.44Å; C234-Y237 VanDerWaalsContact CB-O 3.27Å; C234-Y237 WeakPolarHBondContact CB-O 3.1Å; C234-Y237 PolarHBondContact N-O 3.47Å; C234-Y237 CarbonylContact O-C 3.54Å; C234-Y237 PolarHBondContact O-N 3.44Å; C234-Y237 VanDerWaalsContact SG-CE2 3.53Å; C234-W260 WeakPolarHBondContact O-CB 3.38Å |
| 235 | S | 88.4 | Confident | 85.9 | Confident | 37 Ų | 37 | 35 Ų | 35 | 26% | 0.259 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -37.6 | -178.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | G216 S259 W260 | G216-S235 PolarHBondContact O-N 3.32Å; G216-S235 VanDerWaalsContact O-N 3.14Å; S235-S259 CarbonylContact O-C 3.57Å; S235-S259 VanDerWaalsContact O-CA 3.28Å; S235-S259 WeakPolarHBondContact O-CA 3.02Å; S235-W260 PolarHBondContact O-N 3.13Å |
| 236 | K | 87.7 | Confident | 86.2 | Confident | 157 Ų | 157 | 31.7 Ų | 31.7 | 68% | 0.683 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -8.1 | -176.5 | -64.4 | -172.6 | 178 | -176 | 0 | 115.3 | C234 S254 | C234-K236 PolarHBondContact O-N 3.27Å; K236-S254 VanDerWaalsContact O-CB 3.3Å; K236-S254 WeakPolarHBondContact O-CB 2.94Å; K236-S254 PolarHBondContact O-N 3.34Å |
| 237 | Y | 89 | Confident | 86.6 | Confident | 40 Ų | 40 | 31.1 Ų | 31.1 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 157.8 | -177 | 53.2 | -97 | 0 | 0 | 0 | 110.4 | Y213 C214 Q215 C234 R239 V252 | Y213-Y237 PolarHBondContact O-OH 3.1Å; C214-Y237 WeakPolarHBondContact CA-OH 3.41Å; Q215-Y237 PolarHBondContact N-OH 3.28Å; C234-Y237 CarbonylContact C-O 3.49Å; C234-Y237 VanDerWaalsContact CA-O 3.3Å; C234-Y237 WeakPolarHBondContact CA-O 3.32Å; C234-Y237 HydrophobicContact CB-CD2 3.99Å; C234-Y237 HydrophobicContact CB-CE1 4.47Å; C234-Y237 HydrophobicContact CB-CE2 3.75Å; C234-Y237 HydrophobicContact CB-CG 4.44Å; C234-Y237 VanDerWaalsContact CB-O 3.27Å; C234-Y237 WeakPolarHBondContact CB-O 3.1Å; C234-Y237 PolarHBondContact N-O 3.47Å; C234-Y237 CarbonylContact O-C 3.54Å; C234-Y237 PolarHBondContact O-N 3.44Å; C234-Y237 VanDerWaalsContact SG-CE2 3.53Å; Y237-R239 HydrophobicContact CD2-CG 3.97Å; Y237-R239 HydrophobicContact CE2-CG 4.36Å; Y237-R239 PolarHBondContact OH-NH1 3.12Å; Y237-V252 CarbonylContact C-O 3.57Å; Y237-V252 WeakPolarHBondContact CA-O 3.23Å; Y237-V252 VanDerWaalsContact CB-O 3.25Å; Y237-V252 WeakPolarHBondContact CB-O 3.35Å |
| 238 | W | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.6 | 167.6 | 60.2 | -93.1 | 0 | 0 | 0 | 110.4 | L231 V232 V233 V240 S251 V252 V271 I273 Y283 L285 P309 | L231-W238 HydrophobicContact CD1-CE3 3.87Å; L231-W238 HydrophobicContact CD1-CZ3 4.5Å; V232-W238 WeakPolarHBondContact O-CA 3.22Å; V233-W238 HydrophobicContact CB-CB 4.45Å; V233-W238 HydrophobicContact CG1-CB 4.36Å; V233-W238 HydrophobicContact CG2-CB 4.16Å; W238-V240 HydrophobicContact CE3-CG2 4.34Å; W238-V240 HydrophobicContact CZ3-CG2 3.99Å; W238-S251 WeakPolarHBondContact O-CA 3.41Å; W238-V252 HydrophobicContact CD2-CB 3.96Å; W238-V252 HydrophobicContact CD2-CG2 4.22Å; W238-V252 VanDerWaalsContact CE2-CB 3.41Å; W238-V252 HydrophobicContact CE3-CG2 4.41Å; W238-V252 HydrophobicContact CG-CB 4.42Å; W238-V252 HydrophobicContact CH2-CB 4.31Å; W238-V252 HydrophobicContact CH2-CG2 3.57Å; W238-V252 HydrophobicContact CZ2-CB 3.63Å; W238-V252 HydrophobicContact CZ2-CG1 4.06Å; W238-V252 HydrophobicContact CZ2-CG2 3.29Å; W238-V252 HydrophobicContact CZ3-CG2 4.11Å; W238-V252 PolarHBondContact N-O 3.36Å; W238-V252 PolarHBondContact O-N 3.06Å; W238-V271 HydrophobicContact CH2-CG2 3.97Å; W238-V271 HydrophobicContact CZ3-CG2 4.13Å; W238-I273 HydrophobicContact CB-CD1 4.44Å; W238-I273 HydrophobicContact CD2-CD1 4.08Å; W238-I273 HydrophobicContact CD2-CG1 4.03Å; W238-I273 HydrophobicContact CE3-CD1 4.37Å; W238-I273 HydrophobicContact CG-CD1 4.13Å; W238-I273 HydrophobicContact CG-CG1 4.11Å; W238-I273 HydrophobicContact CG-CG2 4.28Å; W238-I273 HydrophobicContact CZ2-CG1 4.39Å; W238-Y283 HydrophobicContact CH2-CD2 4.45Å; W238-Y283 HydrophobicContact CH2-CG 4.29Å; W238-Y283 HydrophobicContact CZ2-CD1 4.17Å; W238-Y283 AromaticContact CZ2-CD2 3.68Å; W238-Y283 HydrophobicContact CZ2-CD2 3.68Å; W238-Y283 HydrophobicContact CZ2-CE1 4.46Å; W238-Y283 HydrophobicContact CZ2-CE2 4Å; W238-Y283 AromaticContact CZ2-CG 3.76Å; W238-Y283 HydrophobicContact CZ2-CG 3.76Å; W238-L285 HydrophobicContact CH2-CD2 4.45Å; W238-L285 HydrophobicContact CZ3-CD2 4.32Å; W238-P309 HydrophobicContact CH2-CG 3.6Å; W238-P309 HydrophobicContact CZ2-CG 3.93Å |
| 239 | R | 90.9 | Very high | 87.2 | Confident | 51 Ų | 51 | 30.9 Ų | 30.9 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.5 | -173.8 | -73.9 | 178.1 | -177.3 | 148.9 | 4.4 | 111.1 | V232 Y237 F241 L248 C250 S251 | V232-R239 PolarHBondContact N-O 3.5Å; V232-R239 PolarHBondContact O-N 2.88Å; Y237-R239 HydrophobicContact CD2-CG 3.97Å; Y237-R239 HydrophobicContact CE2-CG 4.36Å; Y237-R239 PolarHBondContact OH-NH1 3.12Å; R239-F241 HydrophobicContact CB-CD2 4.3Å; R239-F241 HydrophobicContact CB-CE2 3.61Å; R239-F241 HydrophobicContact CB-CZ 4.14Å; R239-L248 HydrophobicContact CB-CD1 3.79Å; R239-L248 HydrophobicContact CG-CD1 3.84Å; R239-C250 CarbonylContact C-O 3.51Å; R239-C250 WeakPolarHBondContact CA-O 3.14Å; R239-S251 WeakPolarHBondContact CG-OG 3.22Å; R239-S251 PolarHBondContact NE-OG 3.37Å |
| 240 | V | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.3 | 172 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L230 L231 W238 L249 C250 F265 L285 | L230-V240 CarbonylContact O-C 3.59Å; L230-V240 WeakPolarHBondContact O-CA 3.43Å; L231-V240 HydrophobicContact CD1-CG2 3.94Å; W238-V240 HydrophobicContact CE3-CG2 4.34Å; W238-V240 HydrophobicContact CZ3-CG2 3.99Å; V240-L249 HydrophobicContact CG1-CD1 4.29Å; V240-L249 WeakPolarHBondContact O-CA 3.22Å; V240-L249 WeakPolarHBondContact O-CB 3.44Å; V240-L249 PolarHBondContact O-N 2.85Å; V240-C250 HydrophobicContact CB-CB 4.26Å; V240-C250 PolarHBondContact N-O 3.41Å; V240-C250 PolarHBondContact O-N 3.19Å; V240-F265 HydrophobicContact CG1-CZ 4.37Å; V240-L285 HydrophobicContact CG2-CD2 4.08Å |
| 241 | F | 87.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 153.5 | 178.2 | -65.2 | -92.3 | 0 | 0 | 0 | 110.7 | I212 S229 L230 V232 R239 Y246 S247 L248 | I212-F241 HydrophobicContact CB-CE1 4.26Å; I212-F241 HydrophobicContact CB-CZ 4.17Å; I212-F241 HydrophobicContact CD1-CE2 4.5Å; I212-F241 HydrophobicContact CG2-CE1 4.35Å; S229-F241 CarbonylContact C-O 3.41Å; S229-F241 WeakPolarHBondContact CA-O 2.98Å; L230-F241 HydrophobicContact CB-CB 4.4Å; L230-F241 PolarHBondContact N-O 3.22Å; L230-F241 PolarHBondContact O-N 3.42Å; V232-F241 HydrophobicContact CB-CD2 4.3Å; V232-F241 HydrophobicContact CB-CE2 4.01Å; V232-F241 HydrophobicContact CG2-CD2 3.74Å; V232-F241 HydrophobicContact CG2-CE2 3.82Å; R239-F241 HydrophobicContact CB-CD2 4.3Å; R239-F241 HydrophobicContact CB-CE2 3.61Å; R239-F241 HydrophobicContact CB-CZ 4.14Å; F241-Y246 WeakPolarHBondContact CD1-O 3.08Å; F241-S247 CarbonylContact C-O 3.59Å; F241-S247 WeakPolarHBondContact CA-O 3.47Å; F241-L248 HydrophobicContact CD1-CB 4.26Å; F241-L248 HydrophobicContact CD1-CD1 4.29Å; F241-L248 HydrophobicContact CE1-CB 4.06Å; F241-L248 HydrophobicContact CE1-CD1 3.89Å; F241-L248 HydrophobicContact CE2-CD1 4.37Å; F241-L248 HydrophobicContact CZ-CD1 3.94Å |
| 242 | D | 84.8 | Confident | 86.5 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137.1 | 165.5 | -173.8 | -88.7 | 0 | 0 | 0 | 109.6 | G244 D245 Y246 S247 L249 | D242-G244 WeakPolarHBondContact OD1-CA 3.33Å; D242-G244 PolarHBondContact OD1-N 3.33Å; D242-D245 WeakPolarHBondContact CB-OD1 3.2Å; D242-D245 PolarHBondContact OD1-N 2.95Å; D242-Y246 WeakPolarHBondContact O-CA 3.03Å; D242-Y246 PolarHBondContact O-N 3.28Å; D242-S247 PolarHBondContact N-O 3.1Å; D242-L249 HydrophobicContact CB-CD1 4.15Å; D242-L249 HydrophobicContact CB-CD2 4.32Å; D242-L249 HydrophobicContact CB-CG 4.3Å |
| 243 | A | 81.8 | Confident | 86.2 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -19.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F222 S228 | F222-A243 HydrophobicContact CD2-CB 4.42Å; F222-A243 HydrophobicContact CE2-CB 3.51Å; F222-A243 HydrophobicContact CZ-CB 4.3Å; S228-A243 VanDerWaalsContact C-CB 3.49Å; S228-A243 PolarHBondContact O-N 2.91Å |
| 244 | G | 77 | Confident | 85.5 | Confident | 69 Ų | 69 | 38.6 Ų | 38.6 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -42 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D242 | D242-G244 WeakPolarHBondContact OD1-CA 3.33Å; D242-G244 PolarHBondContact OD1-N 3.33Å |
| 245 | D | 80.9 | Confident | 84.7 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 0.8 | -177.3 | 76.4 | -5.7 | 0 | 0 | 0 | 114.8 | K210 D242 S247 | K210-D245 PolarHBondContact NZ-O 2.9Å; D242-D245 WeakPolarHBondContact CB-OD1 3.2Å; D242-D245 PolarHBondContact OD1-N 2.95Å; D245-S247 PolarHBondContact O-N 3.21Å; D245-S247 WeakPolarHBondContact OD1-CB 3.24Å; D245-S247 PolarHBondContact OD1-N 2.63Å; D245-S247 PolarHBondContact OD1-OG 3.11Å; D245-S247 PolarHBondContact OD2-OG 2.92Å |
| 246 | Y | 84.8 | Confident | 83 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | trans | 56.2 | 29.7 | -177.4 | -48.9 | -69.6 | 0 | 0 | 0 | 113.7 | L186 V188 K210 L230 F241 D242 | L186-Y246 HydrophobicContact CD1-CD1 3.59Å; L186-Y246 HydrophobicContact CD1-CE1 3.8Å; L186-Y246 HydrophobicContact CD1-CG 4.19Å; L186-Y246 HydrophobicContact CD2-CD1 4.06Å; L186-Y246 HydrophobicContact CD2-CD2 4.13Å; L186-Y246 HydrophobicContact CD2-CE1 3.82Å; L186-Y246 HydrophobicContact CD2-CE2 3.9Å; L186-Y246 HydrophobicContact CD2-CG 4.2Å; L186-Y246 HydrophobicContact CG-CE1 4.49Å; V188-Y246 HydrophobicContact CG2-CE2 4.19Å; V188-Y246 WeakPolarHBondContact CG2-OH 3.23Å; K210-Y246 HydrophobicContact CD-CD2 4.28Å; L230-Y246 HydrophobicContact CD2-CD1 4.38Å; L230-Y246 HydrophobicContact CD2-CE1 4.45Å; F241-Y246 WeakPolarHBondContact CD1-O 3.08Å; D242-Y246 WeakPolarHBondContact O-CA 3.03Å; D242-Y246 PolarHBondContact O-N 3.28Å | ||
| 247 | S | 84.4 | Confident | 82 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | trans | -75.8 | 146.4 | 170.7 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | F241 D242 D245 L249 | F241-S247 CarbonylContact C-O 3.59Å; F241-S247 WeakPolarHBondContact CA-O 3.47Å; D242-S247 PolarHBondContact N-O 3.1Å; D245-S247 PolarHBondContact O-N 3.21Å; D245-S247 WeakPolarHBondContact OD1-CB 3.24Å; D245-S247 PolarHBondContact OD1-N 2.63Å; D245-S247 PolarHBondContact OD1-OG 3.11Å; D245-S247 PolarHBondContact OD2-OG 2.92Å; S247-L249 PolarHBondContact O-N 2.84Å | ||
| 248 | L | 84.1 | Confident | 81.3 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 45% | 0.45 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.7 | -178.8 | -179.7 | 65.2 | 0 | 0 | 0 | 110.8 | R239 F241 C250 | R239-L248 HydrophobicContact CB-CD1 3.79Å; R239-L248 HydrophobicContact CG-CD1 3.84Å; F241-L248 HydrophobicContact CD1-CB 4.26Å; F241-L248 HydrophobicContact CD1-CD1 4.29Å; F241-L248 HydrophobicContact CE1-CB 4.06Å; F241-L248 HydrophobicContact CE1-CD1 3.89Å; F241-L248 HydrophobicContact CE2-CD1 4.37Å; F241-L248 HydrophobicContact CZ-CD1 3.94Å; L248-C250 WeakPolarHBondContact CD1-O 3.24Å |
| 249 | L | 83.9 | Confident | 81 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -43.2 | 178.7 | -60.1 | 175 | 0 | 0 | 0 | 112.4 | V240 D242 S247 | V240-L249 HydrophobicContact CG1-CD1 4.29Å; V240-L249 WeakPolarHBondContact O-CA 3.22Å; V240-L249 WeakPolarHBondContact O-CB 3.44Å; V240-L249 PolarHBondContact O-N 2.85Å; D242-L249 HydrophobicContact CB-CD1 4.15Å; D242-L249 HydrophobicContact CB-CD2 4.32Å; D242-L249 HydrophobicContact CB-CG 4.3Å; S247-L249 PolarHBondContact O-N 2.84Å |
| 250 | C | 84.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.2 | -176.4 | -175.8 | 0 | 0 | 0 | 0 | 111 | R239 V240 L248 | R239-C250 CarbonylContact C-O 3.51Å; R239-C250 WeakPolarHBondContact CA-O 3.14Å; V240-C250 HydrophobicContact CB-CB 4.26Å; V240-C250 PolarHBondContact N-O 3.41Å; V240-C250 PolarHBondContact O-N 3.19Å; L248-C250 WeakPolarHBondContact CD1-O 3.24Å |
| 251 | S | 84.6 | Confident | 80.9 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.5 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | W238 R239 | W238-S251 WeakPolarHBondContact O-CA 3.41Å; R239-S251 WeakPolarHBondContact CG-OG 3.22Å; R239-S251 PolarHBondContact NE-OG 3.37Å |
| 252 | V | 85.5 | Confident | 81.1 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.8 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 109 | Y237 W238 I308 P309 | Y237-V252 CarbonylContact C-O 3.57Å; Y237-V252 WeakPolarHBondContact CA-O 3.23Å; Y237-V252 VanDerWaalsContact CB-O 3.25Å; Y237-V252 WeakPolarHBondContact CB-O 3.35Å; W238-V252 HydrophobicContact CD2-CB 3.96Å; W238-V252 HydrophobicContact CD2-CG2 4.22Å; W238-V252 VanDerWaalsContact CE2-CB 3.41Å; W238-V252 HydrophobicContact CE3-CG2 4.41Å; W238-V252 HydrophobicContact CG-CB 4.42Å; W238-V252 HydrophobicContact CH2-CB 4.31Å; W238-V252 HydrophobicContact CH2-CG2 3.57Å; W238-V252 HydrophobicContact CZ2-CB 3.63Å; W238-V252 HydrophobicContact CZ2-CG1 4.06Å; W238-V252 HydrophobicContact CZ2-CG2 3.29Å; W238-V252 HydrophobicContact CZ3-CG2 4.11Å; W238-V252 PolarHBondContact N-O 3.36Å; W238-V252 PolarHBondContact O-N 3.06Å; V252-I308 HydrophobicContact CG1-CG2 4.37Å; V252-P309 HydrophobicContact CG2-CG 3.65Å |
| 253 | P | 84.7 | Confident | 81.4 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 156.4 | 175.4 | 32.6 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 254 | S | 80 | Confident | 81.9 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 146 | 165.3 | -156.9 | 0 | 0 | 0 | 0 | 110.6 | K236 Q258 W260 | K236-S254 VanDerWaalsContact O-CB 3.3Å; K236-S254 WeakPolarHBondContact O-CB 2.94Å; K236-S254 PolarHBondContact O-N 3.34Å; S254-Q258 WeakPolarHBondContact CB-O 3.31Å; S254-Q258 PolarHBondContact OG-O 3.22Å; S254-W260 PolarHBondContact OG-NE1 2.9Å |
| 255 | D | 73.2 | Confident | 82.5 | Confident | 132 Ų | 132 | 46.7 Ų | 46.7 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -68 | 151.6 | 163.8 | -67.4 | -37.8 | 0 | 0 | 0 | 109.1 | D257 Q258 | D255-D257 PolarHBondContact O-N 3.31Å; D255-Q258 PolarHBondContact O-N 3.32Å |
| 256 | S | 54.2 | Low | 82.7 | Confident | 109 Ų | 109 | 43.4 Ų | 43.4 | 76% | 0.762 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 4.3 | -153.3 | 54.2 | 0 | 0 | 0 | 0 | 118.6 | ||
| 257 | D | 65.6 | Low | 82.5 | Confident | 117 Ų | 117 | 43.4 Ų | 43.4 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 2.2 | -177.3 | -121.3 | 20.7 | 0 | 0 | 0 | 115 | D255 R360 | D255-D257 PolarHBondContact O-N 3.31Å; D257-R360 IonicContact OD2-CZ 3.72Å; D257-R360 IonicContact OD2-NH1 2.78Å; D257-R360 PolarHBondContact OD2-NH1 3.41Å |
| 258 | Q | 74.2 | Confident | 82.3 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | trans | -106.3 | 138.4 | 177.5 | -73 | -171.9 | -32.5 | 0 | 0 | 111.9 | S254 D255 T275 D277 Y281 | S254-Q258 WeakPolarHBondContact CB-O 3.31Å; S254-Q258 PolarHBondContact OG-O 3.22Å; D255-Q258 PolarHBondContact O-N 3.32Å; Q258-T275 HydrophobicContact CB-CG2 4.25Å; Q258-D277 PolarHBondContact NE2-OD2 3.16Å; Q258-Y281 PolarHBondContact NE2-OH 3.32Å | ||
| 259 | S | 85.2 | Confident | 82.3 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | trans | -107.9 | 129.4 | 174 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | S235 T275 E276 | S235-S259 CarbonylContact O-C 3.57Å; S235-S259 VanDerWaalsContact O-CA 3.28Å; S235-S259 WeakPolarHBondContact O-CA 3.02Å; S259-T275 CarbonylContact O-C 3.59Å; S259-T275 WeakPolarHBondContact O-CA 3.42Å; S259-T275 WeakPolarHBondContact O-CB 3.12Å; S259-E276 WeakPolarHBondContact CB-OE2 3.16Å; S259-E276 PolarHBondContact O-N 3.02Å; S259-E276 WeakPolarHBondContact OG-CB 3.38Å; S259-E276 PolarHBondContact OG-OE2 3.35Å | ||
| 260 | W | 89.3 | Confident | 82.4 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.9 | 173.9 | -54.7 | 105.5 | 0 | 0 | 0 | 110.9 | V233 C234 S235 S254 I273 T275 Y281 | V233-W260 HydrophobicContact CG1-CB 3.61Å; C234-W260 WeakPolarHBondContact O-CB 3.38Å; S235-W260 PolarHBondContact O-N 3.13Å; S254-W260 PolarHBondContact OG-NE1 2.9Å; W260-I273 HydrophobicContact CB-CG2 4.5Å; W260-I273 HydrophobicContact CD2-CG2 3.86Å; W260-I273 HydrophobicContact CE3-CB 4.19Å; W260-I273 HydrophobicContact CE3-CG2 3.34Å; W260-I273 HydrophobicContact CG-CG2 4.36Å; W260-I273 HydrophobicContact CZ3-CB 4.17Å; W260-I273 HydrophobicContact CZ3-CG2 3.82Å; W260-T275 HydrophobicContact CD2-CG2 4.08Å; W260-T275 HydrophobicContact CE3-CG2 3.35Å; W260-T275 HydrophobicContact CH2-CG2 4.01Å; W260-T275 HydrophobicContact CZ3-CG2 3.34Å; W260-Y281 AromaticContact CH2-CD2 3.77Å; W260-Y281 HydrophobicContact CH2-CD2 3.77Å; W260-Y281 HydrophobicContact CH2-CE2 4.04Å; W260-Y281 HydrophobicContact CH2-CG 4.42Å; W260-Y281 AromaticContact CZ3-CD2 3.59Å; W260-Y281 HydrophobicContact CZ3-CD2 3.59Å; W260-Y281 AromaticContact CZ3-CE2 3.98Å; W260-Y281 HydrophobicContact CZ3-CE2 3.98Å |
| 261 | T | 89.3 | Confident | 82.7 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -19.4 | -178 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | Q218 W274 T275 E276 | Q218-T261 WeakPolarHBondContact CB-O 3.12Å; T261-W274 PolarHBondContact N-O 2.99Å; T261-W274 PolarHBondContact OG1-O 3.27Å; T261-T275 PolarHBondContact OG1-O 3.46Å; T261-E276 HydrophobicContact CG2-CB 3.62Å; T261-E276 HydrophobicContact CG2-CG 4.1Å |
| 262 | G | 90.9 | Very high | 83 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I273 W274 | G262-I273 WeakPolarHBondContact O-CG2 3.46Å; G262-W274 VanDerWaalsContact CA-CE2 3.49Å; G262-W274 PolarHBondContact O-N 2.66Å |
| 263 | G | 92.1 | Very high | 83.2 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 159.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I272 | G263-I272 CarbonylContact C-O 3.48Å; G263-I272 WeakPolarHBondContact CA-O 3.43Å |
| 264 | E | 91.6 | Very high | 83.6 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.6 | -177.5 | -164.1 | 167.8 | 176.2 | 0 | 0 | 112.2 | V271 I272 W274 F375 | E264-V271 WeakPolarHBondContact O-CA 3.49Å; E264-I272 HydrophobicContact CB-CG2 4.37Å; E264-I272 PolarHBondContact N-O 2.97Å; E264-I272 WeakPolarHBondContact O-CG2 3.4Å; E264-I272 PolarHBondContact O-N 3.03Å; E264-W274 HydrophobicContact CB-CH2 4.33Å; E264-W274 HydrophobicContact CB-CZ3 4.38Å; E264-F375 HydrophobicContact CB-CB 4.33Å; E264-F375 HydrophobicContact CB-CD1 4.32Å; E264-F375 HydrophobicContact CG-CD1 4.25Å |
| 265 | F | 89.2 | Confident | 84 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.4 | 172.3 | -73.1 | -90.2 | 0 | 0 | 0 | 111.5 | S221 C223 L231 V240 V271 L285 | S221-F265 WeakPolarHBondContact O-CE2 3.33Å; C223-F265 HydrophobicContact CB-CD1 3.93Å; C223-F265 HydrophobicContact CB-CD2 3.83Å; C223-F265 HydrophobicContact CB-CE1 3.9Å; C223-F265 HydrophobicContact CB-CE2 3.81Å; C223-F265 HydrophobicContact CB-CG 3.89Å; C223-F265 HydrophobicContact CB-CZ 3.85Å; L231-F265 HydrophobicContact CB-CD2 4.28Å; L231-F265 HydrophobicContact CB-CE2 3.49Å; L231-F265 VanDerWaalsContact CB-CE2 3.49Å; L231-F265 HydrophobicContact CB-CZ 3.97Å; V240-F265 HydrophobicContact CG1-CZ 4.37Å; F265-V271 HydrophobicContact CD1-CG1 3.56Å; F265-V271 HydrophobicContact CE1-CG1 3.67Å; F265-V271 HydrophobicContact CG-CG1 4.1Å; F265-V271 HydrophobicContact CZ-CG1 4.27Å; F265-L285 HydrophobicContact CD1-CD1 4.28Å; F265-L285 HydrophobicContact CE1-CD1 3.67Å |
| 266 | I | 86.2 | Confident | 84.5 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -33.8 | 175 | -58.6 | 166.5 | 0 | 0 | 0 | 111.4 | K270 I272 I282 F375 K385 | I266-K270 HydrophobicContact CB-CB 4.28Å; I266-K270 PolarHBondContact N-O 3.4Å; I266-I272 HydrophobicContact CD1-CB 3.57Å; I266-I272 HydrophobicContact CD1-CG2 3.99Å; I266-I272 HydrophobicContact CG1-CB 3.92Å; I266-I272 HydrophobicContact CG1-CG2 3.75Å; I266-I282 HydrophobicContact CD1-CB 4.34Å; I266-I282 HydrophobicContact CD1-CD1 3.79Å; I266-I282 HydrophobicContact CD1-CG1 3.79Å; I266-I282 HydrophobicContact CD1-CG2 3.72Å; I266-F375 HydrophobicContact CB-CZ 4.3Å; I266-F375 HydrophobicContact CG1-CE1 4.27Å; I266-F375 HydrophobicContact CG1-CE2 4.23Å; I266-F375 HydrophobicContact CG1-CZ 3.96Å; I266-F375 HydrophobicContact CG2-CZ 4.01Å; I266-K385 HydrophobicContact CG2-CD 3.73Å; I266-K385 PolarHBondContact O-NZ 3.12Å |
| 267 | S | 81 | Confident | 85.7 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 175.7 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 108.9 | D269 K270 | S267-D269 PolarHBondContact O-N 3.05Å; S267-D269 PolarHBondContact OG-OD1 2.89Å; S267-K270 PolarHBondContact N-O 3.44Å; S267-K270 PolarHBondContact O-N 2.85Å; S267-K270 WeakPolarHBondContact OG-CB 3.45Å; S267-K270 WeakPolarHBondContact OG-CG 3.2Å; S267-K270 PolarHBondContact OG-N 2.93Å |
| 268 | A | 80.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 25 Ų | 25 | 31% | 0.306 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | F225 T226 | F225-A268 HydrophobicContact CB-CB 4.11Å; T226-A268 HydrophobicContact CG2-CB 3.6Å |
| 269 | D | 82.4 | Confident | 87 | Confident | 37 Ų | 37 | 23.3 Ų | 23.3 | 20% | 0.198 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 6.7 | -175.2 | 74.6 | -37 | 0 | 0 | 0 | 114.4 | S267 K284 L285 Q290 | S267-D269 PolarHBondContact O-N 3.05Å; S267-D269 PolarHBondContact OG-OD1 2.89Å; D269-K284 CarbonylContact O-C 3.53Å; D269-K284 WeakPolarHBondContact O-CA 3.36Å; D269-K284 WeakPolarHBondContact OD2-CE 3.49Å; D269-L285 PolarHBondContact O-N 2.77Å; D269-Q290 VanDerWaalsContact CB-NE2 3.32Å |
| 270 | K | 87.3 | Confident | 87.2 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.3 | -178.3 | -61.5 | 172.9 | -168.2 | 169.7 | 0 | 111.8 | I266 S267 Y283 I312 D403 | I266-K270 HydrophobicContact CB-CB 4.28Å; I266-K270 PolarHBondContact N-O 3.4Å; S267-K270 PolarHBondContact N-O 3.44Å; S267-K270 PolarHBondContact O-N 2.85Å; S267-K270 WeakPolarHBondContact OG-CB 3.45Å; S267-K270 WeakPolarHBondContact OG-CG 3.2Å; S267-K270 PolarHBondContact OG-N 2.93Å; K270-Y283 VanDerWaalsContact CA-O 3.27Å; K270-Y283 WeakPolarHBondContact CA-O 3.29Å; K270-I312 HydrophobicContact CD-CD1 4.06Å; K270-I312 HydrophobicContact CG-CD1 4.16Å; K270-D403 PolarHBondContact NZ-O 2.57Å |
| 271 | V | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.4 | 173.2 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | L231 W238 E264 F265 I273 I282 Y283 L285 | L231-V271 HydrophobicContact CD2-CG1 4.42Å; W238-V271 HydrophobicContact CH2-CG2 3.97Å; W238-V271 HydrophobicContact CZ3-CG2 4.13Å; E264-V271 WeakPolarHBondContact O-CA 3.49Å; F265-V271 HydrophobicContact CD1-CG1 3.56Å; F265-V271 HydrophobicContact CE1-CG1 3.67Å; F265-V271 HydrophobicContact CG-CG1 4.1Å; F265-V271 HydrophobicContact CZ-CG1 4.27Å; V271-I273 HydrophobicContact CB-CD1 4.34Å; V271-I273 HydrophobicContact CG2-CD1 4.27Å; V271-I273 HydrophobicContact CG2-CG1 4.37Å; V271-I282 CarbonylContact O-C 3.58Å; V271-I282 WeakPolarHBondContact O-CA 3.39Å; V271-Y283 PolarHBondContact N-O 2.98Å; V271-Y283 PolarHBondContact O-N 3.26Å; V271-L285 HydrophobicContact CG1-CD1 3.87Å; V271-L285 HydrophobicContact CG1-CD2 4.14Å; V271-L285 HydrophobicContact CG1-CG 4.14Å; V271-L285 HydrophobicContact CG2-CD2 3.93Å; V271-L285 HydrophobicContact CG2-CG 4.41Å |
| 272 | I | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.2 | 166.5 | -173.9 | 161.2 | 0 | 0 | 0 | 108.4 | G263 E264 I266 W274 Y281 I282 F375 L387 | G263-I272 CarbonylContact C-O 3.48Å; G263-I272 WeakPolarHBondContact CA-O 3.43Å; E264-I272 HydrophobicContact CB-CG2 4.37Å; E264-I272 PolarHBondContact N-O 2.97Å; E264-I272 WeakPolarHBondContact O-CG2 3.4Å; E264-I272 PolarHBondContact O-N 3.03Å; I266-I272 HydrophobicContact CD1-CB 3.57Å; I266-I272 HydrophobicContact CD1-CG2 3.99Å; I266-I272 HydrophobicContact CG1-CB 3.92Å; I266-I272 HydrophobicContact CG1-CG2 3.75Å; I272-W274 HydrophobicContact CG1-CE3 4.39Å; I272-W274 HydrophobicContact CG2-CE3 4.46Å; I272-W274 HydrophobicContact CG2-CZ3 4.05Å; I272-Y281 WeakPolarHBondContact CA-O 3.34Å; I272-I282 HydrophobicContact CB-CG1 4.2Å; I272-I282 HydrophobicContact CD1-CD1 4.28Å; I272-I282 HydrophobicContact CD1-CG1 3.94Å; I272-I282 HydrophobicContact CG1-CG1 4.03Å; I272-F375 HydrophobicContact CG2-CB 4.13Å; I272-F375 HydrophobicContact CG2-CD2 4.25Å; I272-F375 HydrophobicContact CG2-CG 4.06Å; I272-L387 HydrophobicContact CD1-CD1 3.86Å; I272-L387 HydrophobicContact CD1-CD2 4.05Å; I272-L387 HydrophobicContact CD1-CG 4.45Å |
| 273 | I | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.1 | 177.4 | -44.7 | -67.8 | 0 | 0 | 0 | 107.5 | L231 V233 W238 W260 G262 V271 S280 Y281 Y283 | L231-I273 HydrophobicContact CD1-CD1 3.95Å; L231-I273 HydrophobicContact CD2-CD1 3.74Å; L231-I273 HydrophobicContact CG-CD1 4.41Å; V233-I273 HydrophobicContact CG1-CG2 4.3Å; V233-I273 HydrophobicContact CG2-CD1 4.15Å; W238-I273 HydrophobicContact CB-CD1 4.44Å; W238-I273 HydrophobicContact CD2-CD1 4.08Å; W238-I273 HydrophobicContact CD2-CG1 4.03Å; W238-I273 HydrophobicContact CE3-CD1 4.37Å; W238-I273 HydrophobicContact CG-CD1 4.13Å; W238-I273 HydrophobicContact CG-CG1 4.11Å; W238-I273 HydrophobicContact CG-CG2 4.28Å; W238-I273 HydrophobicContact CZ2-CG1 4.39Å; W260-I273 HydrophobicContact CB-CG2 4.5Å; W260-I273 HydrophobicContact CD2-CG2 3.86Å; W260-I273 HydrophobicContact CE3-CB 4.19Å; W260-I273 HydrophobicContact CE3-CG2 3.34Å; W260-I273 HydrophobicContact CG-CG2 4.36Å; W260-I273 HydrophobicContact CZ3-CB 4.17Å; W260-I273 HydrophobicContact CZ3-CG2 3.82Å; G262-I273 WeakPolarHBondContact O-CG2 3.46Å; V271-I273 HydrophobicContact CB-CD1 4.34Å; V271-I273 HydrophobicContact CG2-CD1 4.27Å; V271-I273 HydrophobicContact CG2-CG1 4.37Å; I273-S280 WeakPolarHBondContact O-CA 3.49Å; I273-Y281 PolarHBondContact N-O 2.83Å; I273-Y281 PolarHBondContact O-N 3.46Å; I273-Y283 HydrophobicContact CG1-CD2 4.15Å; I273-Y283 HydrophobicContact CG1-CE2 4.33Å |
| 274 | W | 92 | Very high | 86.3 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.7 | -178.9 | 56.2 | 81.6 | 0 | 0 | 0 | 112.5 | T261 G262 E264 I272 C279 S280 T373 F375 | T261-W274 PolarHBondContact N-O 2.99Å; T261-W274 PolarHBondContact OG1-O 3.27Å; G262-W274 VanDerWaalsContact CA-CE2 3.49Å; G262-W274 PolarHBondContact O-N 2.66Å; E264-W274 HydrophobicContact CB-CH2 4.33Å; E264-W274 HydrophobicContact CB-CZ3 4.38Å; I272-W274 HydrophobicContact CG1-CE3 4.39Å; I272-W274 HydrophobicContact CG2-CE3 4.46Å; I272-W274 HydrophobicContact CG2-CZ3 4.05Å; W274-C279 CarbonylContact C-O 3.47Å; W274-C279 WeakPolarHBondContact CA-O 3.39Å; W274-C279 WeakPolarHBondContact CB-O 3.43Å; W274-S280 WeakPolarHBondContact CB-OG 3.28Å; W274-T373 HydrophobicContact CB-CG2 4.06Å; W274-T373 HydrophobicContact CD2-CG2 3.89Å; W274-T373 HydrophobicContact CE3-CG2 4.23Å; W274-T373 HydrophobicContact CG-CG2 3.81Å; W274-T373 WeakPolarHBondContact CZ2-O 3.39Å; W274-T373 PolarHBondContact NE1-O 3.47Å; W274-F375 HydrophobicContact CZ3-CB 4.18Å |
| 275 | T | 88.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 166.4 | -172.9 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | Q258 S259 W260 T261 D277 G278 C279 Y281 | Q258-T275 HydrophobicContact CB-CG2 4.25Å; S259-T275 CarbonylContact O-C 3.59Å; S259-T275 WeakPolarHBondContact O-CA 3.42Å; S259-T275 WeakPolarHBondContact O-CB 3.12Å; W260-T275 HydrophobicContact CD2-CG2 4.08Å; W260-T275 HydrophobicContact CE3-CG2 3.35Å; W260-T275 HydrophobicContact CH2-CG2 4.01Å; W260-T275 HydrophobicContact CZ3-CG2 3.34Å; T261-T275 PolarHBondContact OG1-O 3.46Å; T275-D277 VanDerWaalsContact C-N 3.26Å; T275-D277 WeakPolarHBondContact CB-OD1 3.27Å; T275-D277 PolarHBondContact O-N 2.88Å; T275-D277 PolarHBondContact OG1-OD1 3.35Å; T275-G278 PolarHBondContact O-N 3.35Å; T275-C279 PolarHBondContact N-O 2.76Å; T275-C279 WeakPolarHBondContact OG1-CA 2.93Å; T275-C279 WeakPolarHBondContact OG1-CB 3.33Å; T275-C279 PolarHBondContact OG1-N 2.84Å; T275-C279 PolarHBondContact OG1-O 2.79Å; T275-Y281 HydrophobicContact CG2-CE2 4.05Å |
| 276 | E | 84.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 24.5 Ų | 24.5 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | 176.3 | -166.6 | 176 | 172.3 | 0 | 0 | 113.1 | S259 T261 G278 P370 P371 | S259-E276 WeakPolarHBondContact CB-OE2 3.16Å; S259-E276 PolarHBondContact O-N 3.02Å; S259-E276 WeakPolarHBondContact OG-CB 3.38Å; S259-E276 PolarHBondContact OG-OE2 3.35Å; T261-E276 HydrophobicContact CG2-CB 3.62Å; T261-E276 HydrophobicContact CG2-CG 4.1Å; E276-G278 PolarHBondContact O-N 3.18Å; E276-P370 HydrophobicContact CG-CB 3.84Å; E276-P371 VanDerWaalsContact O-CD 3.22Å; E276-P371 WeakPolarHBondContact O-CD 3.49Å; E276-P371 WeakPolarHBondContact O-CG 3.39Å |
| 277 | D | 79.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 27.1 Ų | 27.1 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.6 | 175.3 | 65.2 | 2.2 | 0 | 0 | 0 | 113.4 | Q258 T275 C279 | Q258-D277 PolarHBondContact NE2-OD2 3.16Å; T275-D277 VanDerWaalsContact C-N 3.26Å; T275-D277 WeakPolarHBondContact CB-OD1 3.27Å; T275-D277 PolarHBondContact O-N 2.88Å; T275-D277 PolarHBondContact OG1-OD1 3.35Å; D277-C279 PolarHBondContact OD1-N 2.56Å; D277-C279 VanDerWaalsContact OD1-N 3.15Å; D277-C279 PolarHBondContact OD1-SG 3.1Å |
| 278 | G | 81 | Confident | 83.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 88.5 | 1.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T275 E276 Q389 | T275-G278 PolarHBondContact O-N 3.35Å; E276-G278 PolarHBondContact O-N 3.18Å; G278-Q389 PolarHBondContact O-OE1 2.87Å; G278-Q389 VanDerWaalsContact O-OE1 3.11Å |
| 279 | C | 85.6 | Confident | 82.5 | Confident | 20 Ų | 20 | 26.2 Ų | 26.2 | 14% | 0.135 | 14% | 0.142 | C | C | . | . | trans | -74.9 | 147.3 | 174.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | W274 T275 D277 Y281 I315 | W274-C279 CarbonylContact C-O 3.47Å; W274-C279 WeakPolarHBondContact CA-O 3.39Å; W274-C279 WeakPolarHBondContact CB-O 3.43Å; T275-C279 PolarHBondContact N-O 2.76Å; T275-C279 WeakPolarHBondContact OG1-CA 2.93Å; T275-C279 WeakPolarHBondContact OG1-CB 3.33Å; T275-C279 PolarHBondContact OG1-N 2.84Å; T275-C279 PolarHBondContact OG1-O 2.79Å; D277-C279 PolarHBondContact OD1-N 2.56Å; D277-C279 VanDerWaalsContact OD1-N 3.15Å; D277-C279 PolarHBondContact OD1-SG 3.1Å; C279-Y281 HydrophobicContact CB-CE2 3.68Å; C279-I315 CarbonylContact C-O 3.55Å; C279-I315 WeakPolarHBondContact CA-O 3.39Å | ||
| 280 | S | 88.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.9 | 175 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | I273 W274 I315 | I273-S280 WeakPolarHBondContact O-CA 3.49Å; W274-S280 WeakPolarHBondContact CB-OG 3.28Å; S280-I315 PolarHBondContact N-O 3.39Å; S280-I315 PolarHBondContact O-N 3.03Å |
| 281 | Y | 87.3 | Confident | 79.6 | Confident | 31 Ų | 31 | 30.4 Ų | 30.4 | 12% | 0.122 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.9 | -171.7 | -59.2 | -90.1 | 0 | 0 | 0 | 110.3 | Q258 W260 I272 I273 T275 C279 L311 | Q258-Y281 PolarHBondContact NE2-OH 3.32Å; W260-Y281 AromaticContact CH2-CD2 3.77Å; W260-Y281 HydrophobicContact CH2-CD2 3.77Å; W260-Y281 HydrophobicContact CH2-CE2 4.04Å; W260-Y281 HydrophobicContact CH2-CG 4.42Å; W260-Y281 AromaticContact CZ3-CD2 3.59Å; W260-Y281 HydrophobicContact CZ3-CD2 3.59Å; W260-Y281 AromaticContact CZ3-CE2 3.98Å; W260-Y281 HydrophobicContact CZ3-CE2 3.98Å; I272-Y281 WeakPolarHBondContact CA-O 3.34Å; I273-Y281 PolarHBondContact N-O 2.83Å; I273-Y281 PolarHBondContact O-N 3.46Å; T275-Y281 HydrophobicContact CG2-CE2 4.05Å; C279-Y281 HydrophobicContact CB-CE2 3.68Å; Y281-L311 HydrophobicContact CD1-CD1 3.92Å; Y281-L311 HydrophobicContact CD1-CD2 4.18Å; Y281-L311 HydrophobicContact CG-CD1 4.29Å |
| 282 | I | 87.4 | Confident | 77.3 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.6 | 178.4 | -61.2 | 178.9 | 0 | 0 | 0 | 109.5 | I266 V271 I272 I312 Y313 V401 | I266-I282 HydrophobicContact CD1-CB 4.34Å; I266-I282 HydrophobicContact CD1-CD1 3.79Å; I266-I282 HydrophobicContact CD1-CG1 3.79Å; I266-I282 HydrophobicContact CD1-CG2 3.72Å; V271-I282 CarbonylContact O-C 3.58Å; V271-I282 WeakPolarHBondContact O-CA 3.39Å; I272-I282 HydrophobicContact CB-CG1 4.2Å; I272-I282 HydrophobicContact CD1-CD1 4.28Å; I272-I282 HydrophobicContact CD1-CG1 3.94Å; I272-I282 HydrophobicContact CG1-CG1 4.03Å; I282-I312 HydrophobicContact CG2-CB 4.39Å; I282-I312 HydrophobicContact CG2-CD1 4.28Å; I282-I312 PolarHBondContact O-N 2.9Å; I282-Y313 HydrophobicContact CB-CD2 4.36Å; I282-Y313 HydrophobicContact CD1-CD2 3.94Å; I282-Y313 HydrophobicContact CD1-CG 4.43Å; I282-Y313 HydrophobicContact CG2-CD2 4.5Å; I282-Y313 PolarHBondContact N-O 3.12Å; I282-V401 HydrophobicContact CD1-CG1 3.65Å |
| 283 | Y | 84.7 | Confident | 74.9 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 9% | 0.09 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.5 | 179.4 | -65 | -87.1 | 0 | 0 | 0 | 111.4 | W238 K270 V271 I273 P309 L311 | W238-Y283 HydrophobicContact CH2-CD2 4.45Å; W238-Y283 HydrophobicContact CH2-CG 4.29Å; W238-Y283 HydrophobicContact CZ2-CD1 4.17Å; W238-Y283 AromaticContact CZ2-CD2 3.68Å; W238-Y283 HydrophobicContact CZ2-CD2 3.68Å; W238-Y283 HydrophobicContact CZ2-CE1 4.46Å; W238-Y283 HydrophobicContact CZ2-CE2 4Å; W238-Y283 AromaticContact CZ2-CG 3.76Å; W238-Y283 HydrophobicContact CZ2-CG 3.76Å; K270-Y283 VanDerWaalsContact CA-O 3.27Å; K270-Y283 WeakPolarHBondContact CA-O 3.29Å; V271-Y283 PolarHBondContact N-O 2.98Å; V271-Y283 PolarHBondContact O-N 3.26Å; I273-Y283 HydrophobicContact CG1-CD2 4.15Å; I273-Y283 HydrophobicContact CG1-CE2 4.33Å; Y283-P309 HydrophobicContact CD1-CB 4.46Å; Y283-P309 HydrophobicContact CD1-CG 4.08Å; Y283-P309 WeakPolarHBondContact CD1-O 3.43Å; Y283-P309 HydrophobicContact CG-CG 4.46Å; Y283-L311 HydrophobicContact CD1-CB 4.44Å; Y283-L311 HydrophobicContact CD1-CD1 4.28Å; Y283-L311 HydrophobicContact CE1-CB 4.23Å; Y283-L311 HydrophobicContact CE1-CD1 3.94Å; Y283-L311 HydrophobicContact CE2-CD1 4.35Å |
| 284 | K | 84.3 | Confident | 72.3 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.3 | 166.6 | -163.6 | 176.6 | 178.4 | 176 | 0 | 110.1 | D269 P309 P310 I312 | D269-K284 CarbonylContact O-C 3.53Å; D269-K284 WeakPolarHBondContact O-CA 3.36Å; D269-K284 WeakPolarHBondContact OD2-CE 3.49Å; K284-P309 WeakPolarHBondContact O-CB 3.38Å; K284-P310 HydrophobicContact CB-CG 4.06Å; K284-P310 PolarHBondContact N-O 2.63Å; K284-P310 WeakPolarHBondContact O-CD 3.39Å; K284-I312 HydrophobicContact CB-CD1 3.78Å; K284-I312 HydrophobicContact CB-CG1 4.25Å; K284-I312 HydrophobicContact CG-CD1 4.46Å |
| 285 | L | 82.5 | Confident | 69.9 | Low | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 145.7 | 179.2 | -65.9 | 178.2 | 0 | 0 | 0 | 111.8 | W238 V240 F265 D269 V271 C289 | W238-L285 HydrophobicContact CH2-CD2 4.45Å; W238-L285 HydrophobicContact CZ3-CD2 4.32Å; V240-L285 HydrophobicContact CG2-CD2 4.08Å; F265-L285 HydrophobicContact CD1-CD1 4.28Å; F265-L285 HydrophobicContact CE1-CD1 3.67Å; D269-L285 PolarHBondContact O-N 2.77Å; V271-L285 HydrophobicContact CG1-CD1 3.87Å; V271-L285 HydrophobicContact CG1-CD2 4.14Å; V271-L285 HydrophobicContact CG1-CG 4.14Å; V271-L285 HydrophobicContact CG2-CD2 3.93Å; V271-L285 HydrophobicContact CG2-CG 4.41Å; L285-C289 HydrophobicContact CB-CB 4.19Å; L285-C289 HydrophobicContact CD1-CB 4.42Å |
| 286 | P | 74.5 | Confident | 67.6 | Low | 32 Ų | 32 | 54 Ų | 54 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 155.4 | 173.4 | -19.9 | 32.2 | 0 | 0 | 0 | 112.3 | S288 C289 | P286-S288 PolarHBondContact O-N 2.82Å; P286-S288 VanDerWaalsContact O-N 3.1Å; P286-C289 WeakPolarHBondContact O-CB 3.4Å; P286-C289 PolarHBondContact O-N 2.6Å |
| 287 | A | 67.1 | Low | 65.7 | Low | 60 Ų | 60 | 60.6 Ų | 60.6 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -60.3 | -22 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C289 Q290 | A287-C289 PolarHBondContact O-N 3Å; A287-Q290 PolarHBondContact O-N 2.82Å; A287-Q290 VanDerWaalsContact O-N 3.16Å |
| 288 | S | 62.8 | Low | 64 | Low | 35 Ų | 35 | 60.1 Ų | 60.1 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -64.1 | -21.5 | 173.4 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | P286 Q290 | P286-S288 PolarHBondContact O-N 2.82Å; P286-S288 VanDerWaalsContact O-N 3.1Å; S288-Q290 VanDerWaalsContact C-N 3.29Å |
| 289 | C | 60.9 | Low | 62.1 | Low | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -85.6 | 2.1 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 113 | L285 P286 A287 | L285-C289 HydrophobicContact CB-CB 4.19Å; L285-C289 HydrophobicContact CD1-CB 4.42Å; P286-C289 WeakPolarHBondContact O-CB 3.4Å; P286-C289 PolarHBondContact O-N 2.6Å; A287-C289 PolarHBondContact O-N 3Å |
| 290 | Q | 60.7 | Low | 60 | Low | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -106.4 | 125.3 | -177.9 | -62.1 | -179.6 | 1.3 | 0 | 0 | 111.5 | D269 A287 S288 A292 | D269-Q290 VanDerWaalsContact CB-NE2 3.32Å; A287-Q290 PolarHBondContact O-N 2.82Å; A287-Q290 VanDerWaalsContact O-N 3.16Å; S288-Q290 VanDerWaalsContact C-N 3.29Å; Q290-A292 PolarHBondContact O-N 3.35Å |
| 291 | S | 49.4 | Very low | 57.8 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 53% | 0.531 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -4.4 | -176.1 | 176.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 292 | A | 40.9 | Very low | 55.5 | Low | 97 Ų | 97 | 78.5 Ų | 78.5 | 80% | 0.802 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 3.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q290 | Q290-A292 PolarHBondContact O-N 3.35Š|
| 293 | S | 40.6 | Very low | 53.1 | Low | 35 Ų | 35 | 81.2 Ų | 81.2 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | trans | -83.4 | 137.6 | 175.3 | 86.3 | 0 | 0 | 0 | 0 | 110.8 | H295 F296 | S293-H295 PolarHBondContact O-N 2.8Å; S293-H295 PolarHBondContact OG-N 2.84Å; S293-F296 WeakPolarHBondContact O-CB 3.44Å; S293-F296 PolarHBondContact O-N 3.13Å; S293-F296 PolarHBondContact OG-N 3.34Å | ||
| 294 | E | 36.5 | Very low | 50.9 | Low | 184 Ų | 184 | 89 Ų | 89 | 86% | 0.86 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -17.4 | 171.1 | -75.6 | -168.7 | 148.6 | 0 | 0 | 112.6 | ||
| 295 | H | 40.1 | Very low | 48.7 | Very low | 128 Ų | 128 | 94.6 Ų | 94.6 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17.7 | 175.2 | -65.4 | 47.9 | 0 | 0 | 0 | 113.1 | S293 R297 S298 D299 | S293-H295 PolarHBondContact O-N 2.8Å; S293-H295 PolarHBondContact OG-N 2.84Å; H295-R297 VanDerWaalsContact C-N 3.26Å; H295-R297 PolarHBondContact O-N 3.02Å; H295-S298 PolarHBondContact O-N 3.12Å; H295-S298 PolarHBondContact O-OG 3.05Å; H295-D299 PolarHBondContact O-N 2.65Å; H295-D299 VanDerWaalsContact O-N 3.13Å |
| 296 | F | 41.6 | Very low | 46.8 | Very low | 60 Ų | 60 | 97.6 Ų | 97.6 | 26% | 0.263 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.1 | 177.6 | -178.3 | -100.6 | 0 | 0 | 0 | 112.1 | S293 V300 | S293-F296 WeakPolarHBondContact O-CB 3.44Å; S293-F296 PolarHBondContact O-N 3.13Å; S293-F296 PolarHBondContact OG-N 3.34Å; F296-V300 WeakPolarHBondContact O-CG2 3.34Å |
| 297 | R | 43 | Very low | 45.7 | Very low | 234 Ų | 234 | 99.7 Ų | 99.7 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -16.8 | 179.1 | -69.9 | -172.9 | 176.2 | 179.7 | -0.5 | 114 | H295 | H295-R297 VanDerWaalsContact C-N 3.26Å; H295-R297 PolarHBondContact O-N 3.02Å |
| 298 | S | 44 | Very low | 45.5 | Very low | 77 Ų | 77 | 102.2 Ų | 102.2 | 54% | 0.538 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.9 | -24 | -178.4 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | H295 | H295-S298 PolarHBondContact O-N 3.12Å; H295-S298 PolarHBondContact O-OG 3.05Å |
| 299 | D | 42.3 | Very low | 45.9 | Very low | 66 Ų | 66 | 100.8 Ų | 100.8 | 35% | 0.353 | 55% | 0.55 | S | S | . | . | trans | -118.9 | 18.7 | -171.7 | -74.6 | -39.2 | 0 | 0 | 0 | 115.2 | H295 G301 R302 | H295-D299 PolarHBondContact O-N 2.65Å; H295-D299 VanDerWaalsContact O-N 3.13Å; D299-G301 PolarHBondContact O-N 2.97Å; D299-R302 HydrophobicContact CB-CB 4.24Å; D299-R302 PolarHBondContact O-N 3.13Å | ||
| 300 | V | 40.6 | Very low | 46.3 | Very low | 95 Ų | 95 | 104.7 Ų | 104.7 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 109.1 | 168 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | F296 | F296-V300 WeakPolarHBondContact O-CG2 3.34Š|
| 301 | G | 41.6 | Very low | 46.8 | Very low | 79 Ų | 79 | 104.4 Ų | 104.4 | 81% | 0.814 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.1 | 12.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | D299 | D299-G301 PolarHBondContact O-N 2.97Š|
| 302 | R | 39.4 | Very low | 48 | Very low | 198 Ų | 198 | 101.9 Ų | 101.9 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | trans | -120.1 | 12.1 | 177.2 | -83.2 | -170.8 | 175.7 | -172.4 | 0.9 | 115.5 | D299 K304 | D299-R302 HydrophobicContact CB-CB 4.24Å; D299-R302 PolarHBondContact O-N 3.13Å; R302-K304 PolarHBondContact O-N 3.38Å | ||
| 303 | T | 37.7 | Very low | 49.5 | Very low | 60 Ų | 60 | 98.4 Ų | 98.4 | 37% | 0.368 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -66 | 122.4 | 169.1 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | E305 | T303-E305 PolarHBondContact O-N 3.36Š|
| 304 | K | 39.3 | Very low | 51.1 | Low | 186 Ų | 186 | 97.9 Ų | 97.9 | 81% | 0.809 | 52% | 0.519 | S | S | * | . | trans | -53.3 | 117.1 | 171.6 | -80.2 | -179.4 | 174.3 | 179.7 | 0 | 108.1 | R302 G306 | R302-K304 PolarHBondContact O-N 3.38Å; K304-G306 PolarHBondContact O-N 2.8Å | ||
| 305 | E | 37 | Very low | 53 | Low | 205 Ų | 205 | 89.2 Ų | 89.2 | 96% | 0.958 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | 115.9 | 162.9 | -73.7 | 178.4 | 145.5 | 0 | 0 | 107.9 | T303 | T303-E305 PolarHBondContact O-N 3.36Š|
| 306 | G | 43.3 | Very low | 54.2 | Low | 70 Ų | 70 | 85 Ų | 85 | 72% | 0.722 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.1 | 6.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119 | K304 I308 | K304-G306 PolarHBondContact O-N 2.8Å; G306-I308 PolarHBondContact O-N 2.75Å; G306-I308 VanDerWaalsContact O-N 3.14Å |
| 307 | S | 50.9 | Low | 54.7 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 53% | 0.531 | 47% | 0.47 | S | S | . | . | trans | -79.6 | 95.1 | 167.6 | 67 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 308 | I | 62 | Low | 54.7 | Low | 114 Ų | 114 | 84.4 Ų | 84.4 | 59% | 0.585 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 124.7 | 174.5 | -58.4 | 171.3 | 0 | 0 | 0 | 108.3 | V252 G306 | V252-I308 HydrophobicContact CG1-CG2 4.37Å; G306-I308 PolarHBondContact O-N 2.75Å; G306-I308 VanDerWaalsContact O-N 3.14Å |
| 309 | P | 72.2 | Confident | 54.4 | Low | 4 Ų | 4 | 85.7 Ų | 85.7 | 3% | 0.026 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 142.6 | 177.1 | 20.1 | -26 | 0 | 0 | 0 | 110.5 | W238 V252 Y283 K284 L311 | W238-P309 HydrophobicContact CH2-CG 3.6Å; W238-P309 HydrophobicContact CZ2-CG 3.93Å; V252-P309 HydrophobicContact CG2-CG 3.65Å; Y283-P309 HydrophobicContact CD1-CB 4.46Å; Y283-P309 HydrophobicContact CD1-CG 4.08Å; Y283-P309 WeakPolarHBondContact CD1-O 3.43Å; Y283-P309 HydrophobicContact CG-CG 4.46Å; K284-P309 WeakPolarHBondContact O-CB 3.38Å; P309-L311 PolarHBondContact O-N 3.3Å |
| 310 | P | 68.9 | Low | 53.8 | Low | 85 Ų | 85 | 90 Ų | 90 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 131.3 | -177.1 | 25.7 | -32.6 | 0 | 0 | 0 | 111.2 | K284 | K284-P310 HydrophobicContact CB-CG 4.06Å; K284-P310 PolarHBondContact N-O 2.63Å; K284-P310 WeakPolarHBondContact O-CD 3.39Å |
| 311 | L | 72.2 | Confident | 53.3 | Low | 63 Ų | 63 | 94.5 Ų | 94.5 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125 | 173.7 | -178.3 | 67.5 | 0 | 0 | 0 | 109.8 | Y281 Y283 P309 Y313 P413 | Y281-L311 HydrophobicContact CD1-CD1 3.92Å; Y281-L311 HydrophobicContact CD1-CD2 4.18Å; Y281-L311 HydrophobicContact CG-CD1 4.29Å; Y283-L311 HydrophobicContact CD1-CB 4.44Å; Y283-L311 HydrophobicContact CD1-CD1 4.28Å; Y283-L311 HydrophobicContact CE1-CB 4.23Å; Y283-L311 HydrophobicContact CE1-CD1 3.94Å; Y283-L311 HydrophobicContact CE2-CD1 4.35Å; P309-L311 PolarHBondContact O-N 3.3Å; L311-Y313 WeakPolarHBondContact CD1-O 3.23Å; L311-P413 HydrophobicContact CD2-CB 3.82Å; L311-P413 HydrophobicContact CD2-CG 4.08Å; L311-P413 HydrophobicContact CG-CB 4.22Å |
| 312 | I | 74 | Confident | 52.6 | Low | 24 Ų | 24 | 98.8 Ų | 98.8 | 12% | 0.123 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -52.2 | -179.2 | -55.8 | 169.1 | 0 | 0 | 0 | 110.7 | K270 I282 K284 P406 | K270-I312 HydrophobicContact CD-CD1 4.06Å; K270-I312 HydrophobicContact CG-CD1 4.16Å; I282-I312 HydrophobicContact CG2-CB 4.39Å; I282-I312 HydrophobicContact CG2-CD1 4.28Å; I282-I312 PolarHBondContact O-N 2.9Å; K284-I312 HydrophobicContact CB-CD1 3.78Å; K284-I312 HydrophobicContact CB-CG1 4.25Å; K284-I312 HydrophobicContact CG-CD1 4.46Å; I312-P406 HydrophobicContact CG2-CG 4.09Å |
| 313 | Y | 72.6 | Confident | 51.9 | Low | 24 Ų | 24 | 99 Ų | 99 | 9% | 0.094 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.6 | -177 | -63.7 | -74.3 | 0 | 0 | 0 | 110.2 | I282 L311 P402 A404 T414 L416 | I282-Y313 HydrophobicContact CB-CD2 4.36Å; I282-Y313 HydrophobicContact CD1-CD2 3.94Å; I282-Y313 HydrophobicContact CD1-CG 4.43Å; I282-Y313 HydrophobicContact CG2-CD2 4.5Å; I282-Y313 PolarHBondContact N-O 3.12Å; L311-Y313 WeakPolarHBondContact CD1-O 3.23Å; Y313-P402 HydrophobicContact CE2-CG 4.31Å; Y313-A404 PolarHBondContact OH-O 3.31Å; Y313-T414 WeakPolarHBondContact CA-O 3.33Å; Y313-T414 HydrophobicContact CD1-CG2 4.39Å; Y313-T414 HydrophobicContact CE1-CG2 4.23Å; Y313-L416 HydrophobicContact CD1-CD1 4.1Å; Y313-L416 HydrophobicContact CE1-CD1 4.47Å; Y313-L416 HydrophobicContact CG-CD1 4.13Å |
| 314 | S | 74.1 | Confident | 51.5 | Low | 24 Ų | 24 | 102.9 Ų | 102.9 | 17% | 0.168 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.4 | 165.7 | -179 | 0 | 0 | 0 | 0 | 108.3 | T414 E415 L416 | S314-T414 PolarHBondContact N-O 3.36Å; S314-E415 WeakPolarHBondContact O-CA 3.32Å; S314-L416 PolarHBondContact O-N 2.91Å |
| 315 | I | 75.3 | Confident | 51 | Low | 2 Ų | 2 | 98.1 Ų | 98.1 | 1% | 0.01 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 106.6 | 179 | -50.3 | 176.6 | 0 | 0 | 0 | 105 | C279 S280 L387 W399 L416 | C279-I315 CarbonylContact C-O 3.55Å; C279-I315 WeakPolarHBondContact CA-O 3.39Å; S280-I315 PolarHBondContact N-O 3.39Å; S280-I315 PolarHBondContact O-N 3.03Å; I315-L387 HydrophobicContact CD1-CD2 3.66Å; I315-L387 HydrophobicContact CG2-CD2 4.42Å; I315-W399 HydrophobicContact CG2-CD2 4.06Å; I315-W399 HydrophobicContact CG2-CG 4.16Å; I315-W399 HydrophobicContact CG2-CZ2 4.2Å; I315-L416 HydrophobicContact CD1-CB 4.3Å; I315-L416 HydrophobicContact CD1-CD2 4.45Å; I315-L416 HydrophobicContact CG1-CB 3.87Å |
| 316 | A | 65.9 | Low | 50.5 | Low | 40 Ų | 40 | 91.6 Ų | 91.6 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | trans | -118.8 | 140.3 | 175 | 0 | 0 | 0 | 0 | 0 | 108.2 | R318 | A316-R318 PolarHBondContact O-N 3.21Š| ||
| 317 | E | 51.5 | Low | 49.7 | Very low | 76 Ų | 76 | 97.7 Ų | 97.7 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | trans | -71.8 | 127.3 | 172.4 | -161.9 | 163.4 | -145.6 | 0 | 0 | 108.3 | S319 S397 | E317-S319 PolarHBondContact O-N 3.46Å; E317-S397 PolarHBondContact OE1-OG 3.44Å | ||
| 318 | R | 44.7 | Very low | 48.5 | Very low | 204 Ų | 204 | 103.1 Ų | 103.1 | 77% | 0.77 | 55% | 0.55 | S | S | * | * | trans | -63.1 | 109.2 | 174.3 | -86.8 | -174.6 | 176.7 | -179.6 | -1 | 107.8 | A316 D320 | A316-R318 PolarHBondContact O-N 3.21Å; R318-D320 PolarHBondContact O-N 3.35Å; R318-D320 VanDerWaalsContact O-N 3.13Å | ||
| 319 | S | 37.3 | Very low | 46.7 | Very low | 104 Ų | 104 | 106.7 Ų | 106.7 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -61.9 | 114.8 | 158.3 | 44.3 | 0 | 0 | 0 | 0 | 107 | E317 K321 | E317-S319 PolarHBondContact O-N 3.46Å; S319-K321 VanDerWaalsContact C-N 3.31Å; S319-K321 PolarHBondContact O-N 2.79Å | ||
| 320 | D | 30.4 | Very low | 44.5 | Very low | 156 Ų | 156 | 115.8 Ų | 115.8 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | trans | -57 | 99.3 | 170.6 | -91.9 | -29.6 | 0 | 0 | 0 | 107.7 | R318 Q322 | R318-D320 PolarHBondContact O-N 3.35Å; R318-D320 VanDerWaalsContact O-N 3.13Å; D320-Q322 PolarHBondContact O-N 2.96Å | ||
| 321 | K | 28.6 | Very low | 42.4 | Very low | 190 Ų | 190 | 120.6 Ų | 120.6 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | trans | -65.4 | 92.5 | 161.7 | -74.9 | -168.2 | 177.6 | -173.8 | 0 | 106.2 | S319 K323 | S319-K321 VanDerWaalsContact C-N 3.31Å; S319-K321 PolarHBondContact O-N 2.79Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 3.49Å | ||
| 322 | Q | 26.8 | Very low | 40.1 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | -54.8 | 100.2 | 168 | -150.8 | 168.4 | 0.6 | 0 | 0 | 106.9 | D320 D324 | D320-Q322 PolarHBondContact O-N 2.96Å; Q322-D324 PolarHBondContact O-N 3.46Å | ||
| 323 | K | 26.3 | Very low | 37.6 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | trans | -71.3 | 82.4 | 166.8 | -83.9 | -174.4 | 173.8 | -177.8 | 0 | 106.5 | K321 G325 | K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 3.49Å; K323-G325 PolarHBondContact O-N 3.5Å | ||
| 324 | D | 27.6 | Very low | 35.2 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -67.4 | 116.2 | 160.6 | -103.1 | -12.2 | 0 | 0 | 0 | 107.6 | Q322 G326 | Q322-D324 PolarHBondContact O-N 3.46Å; D324-G326 PolarHBondContact O-N 2.9Å; D324-G326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | G | 29.4 | Very low | 32.8 | Very low | 86 Ų | 86 | 149.7 Ų | 149.7 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | -70 | 96.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | K323 | K323-G325 PolarHBondContact O-N 3.5Š| ||
| 326 | G | 26 | Very low | 30.3 | Very low | 67 Ų | 67 | 155.4 Ų | 155.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -118.3 | 135.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D324 | D324-G326 PolarHBondContact O-N 2.9Å; D324-G326 VanDerWaalsContact O-N 3.08Å | ||
| 327 | E | 27.4 | Very low | 28.3 | Very low | 198 Ų | 198 | 161.9 Ų | 161.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -57.8 | 152 | -173 | -65.4 | 171.6 | 146.8 | 0 | 0 | 113.6 | E329 | E327-E329 PolarHBondContact O-N 3.41Š| ||
| 328 | Q | 25.4 | Very low | 26.9 | Very low | 191 Ų | 191 | 164.1 Ų | 164.1 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -58.2 | 124.1 | 177 | -69.6 | 169.9 | -38.4 | 0 | 0 | 111.5 | ||||
| 329 | E | 24.2 | Very low | 25.9 | Very low | 188 Ų | 188 | 161.1 Ų | 161.1 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -125.8 | 116.2 | 148.3 | -80.2 | -170.1 | 159.1 | 0 | 0 | 108.6 | E327 | E327-E329 PolarHBondContact O-N 3.41Š| ||
| 330 | E | 27 | Very low | 25.2 | Very low | 195 Ų | 195 | 161.9 Ų | 161.9 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -66.7 | 125.9 | 170.3 | -67.4 | 174.2 | 148.1 | 0 | 0 | 109.3 | ||||
| 331 | Q | 23.7 | Very low | 24.9 | Very low | 187 Ų | 187 | 162.2 Ų | 162.2 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -137.5 | 136.7 | 154.7 | -77 | -167 | -2.6 | 0 | 0 | 111 | ||||
| 332 | E | 23.3 | Very low | 24.8 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -63.9 | 140.5 | -163.7 | -66.4 | 165.7 | 130.4 | 0 | 0 | 114.4 | Q334 | E332-Q334 PolarHBondContact O-N 3.27Š| ||
| 333 | E | 23.5 | Very low | 24.7 | Very low | 196 Ų | 196 | 162.9 Ų | 162.9 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -67.5 | 118.8 | 161.4 | -71.6 | 178.9 | 150.5 | 0 | 0 | 109.7 | ||||
| 334 | Q | 21.8 | Very low | 24.7 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | trans | -104.6 | 107.8 | 159.4 | -93.8 | -178.8 | 14.8 | 0 | 0 | 109.2 | E332 V336 | E332-Q334 PolarHBondContact O-N 3.27Å; Q334-V336 PolarHBondContact O-N 2.79Å | ||
| 335 | E | 23.1 | Very low | 24.7 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -60.4 | 124.5 | 162.4 | -78.9 | -178.8 | 138 | 0 | 0 | 109.9 | ||||
| 336 | V | 22.3 | Very low | 24.5 | Very low | 121 Ų | 121 | 162.2 Ų | 162.2 | 73% | 0.733 | 84% | 0.84 | S | S | * | * | trans | -110.1 | 98.8 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | Q334 V338 | Q334-V336 PolarHBondContact O-N 2.79Å; V336-V338 HydrophobicContact CG1-CG2 3.97Å; V336-V338 PolarHBondContact O-N 3.37Å | ||
| 337 | E | 23.8 | Very low | 24.5 | Very low | 177 Ų | 177 | 163.3 Ų | 163.3 | 83% | 0.827 | 84% | 0.842 | S | S | * | * | trans | -64.6 | 121.5 | 161.6 | -92.3 | -172.5 | 144.1 | 0 | 0 | 109.5 | ||||
| 338 | V | 22.9 | Very low | 25 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 74% | 0.739 | 83% | 0.834 | S | S | * | * | trans | -112.8 | 108 | 164.7 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | V336 C340 | V336-V338 HydrophobicContact CG1-CG2 3.97Å; V336-V338 PolarHBondContact O-N 3.37Å; V338-C340 PolarHBondContact O-N 3Å | ||
| 339 | I | 23.5 | Very low | 25.2 | Very low | 142 Ų | 142 | 159 Ų | 159 | 73% | 0.728 | 83% | 0.832 | S | S | * | * | trans | -70.4 | 118.9 | 174.7 | -62.6 | 167 | 0 | 0 | 0 | 109.3 | ||||
| 340 | C | 23 | Very low | 25.2 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -84.5 | 114.9 | 172.9 | -91.1 | 0 | 0 | 0 | 0 | 111.8 | V338 | V338-C340 PolarHBondContact O-N 3Š| ||
| 341 | L | 23.4 | Very low | 25.1 | Very low | 163 Ų | 163 | 160.1 Ų | 160.1 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -82.5 | 127.5 | 164.8 | -75.4 | 166.2 | 0 | 0 | 0 | 110.2 | ||||
| 342 | R | 26.8 | Very low | 25 | Very low | 244 Ų | 244 | 156.8 Ų | 156.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -79.8 | 147 | 175.5 | -68.2 | -178.1 | -178.2 | 172.8 | 0.5 | 111.8 | ||||
| 343 | P | 25.6 | Very low | 25 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -118.2 | 142 | 136.9 | 23.5 | -7.2 | 0 | 0 | 0 | 111.8 | ||||
| 344 | S | 25.3 | Very low | 25 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -85.1 | 144 | -175.6 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 345 | G | 27.8 | Very low | 25.2 | Very low | 63 Ų | 63 | 151.2 Ų | 151.2 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | 147.1 | 115.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 346 | F | 24.7 | Very low | 25.2 | Very low | 228 Ų | 228 | 150.2 Ų | 150.2 | 100% | 1 | 82% | 0.815 | S | S | * | * | trans | 90.3 | 138 | 164.4 | -64.4 | -84.8 | 0 | 0 | 0 | 119.2 | ||||
| 347 | A | 25.5 | Very low | 25.3 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | -130.9 | -175.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 348 | P | 39.8 | Very low | 25.3 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | -123.1 | 175.5 | -40.3 | 31.7 | -13.8 | 0 | 0 | 0 | 112 | ||||
| 349 | E | 28.8 | Very low | 25.4 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 126.9 | 97.6 | 156.9 | -71.7 | -172.9 | 179.4 | 0 | 0 | 113.8 | ||||
| 350 | L | 24.7 | Very low | 25.6 | Very low | 165 Ų | 165 | 158 Ų | 158 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | 177.6 | 108.6 | 151.5 | -96.6 | 148.1 | 0 | 0 | 0 | 106.9 | T352 | L350-T352 PolarHBondContact O-N 3.49Š| ||
| 351 | Y | 23.3 | Very low | 25.9 | Very low | 243 Ų | 243 | 157.3 Ų | 157.3 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -85.3 | 100.4 | 171.6 | -113.3 | -91.5 | 0 | 0 | 0 | 108.3 | ||||
| 352 | T | 22.4 | Very low | 26.1 | Very low | 116 Ų | 116 | 158.2 Ų | 158.2 | 71% | 0.712 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 125.7 | 164.1 | 43.8 | 0 | 0 | 0 | 0 | 109.3 | L350 | L350-T352 PolarHBondContact O-N 3.49Š|
| 353 | P | 23.6 | Very low | 26.4 | Very low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.5 | 159.5 | -0.3 | 19.2 | 0 | 0 | 0 | 110.1 | ||
| 354 | L | 23 | Very low | 27 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.1 | -174.2 | -76.2 | 115.5 | 0 | 0 | 0 | 113.9 | ||
| 355 | Q | 25.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 151 Ų | 151 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.3 | 164.9 | -84.9 | 168.8 | -35.9 | 0 | 0 | 110.9 | Y357 | Q355-Y357 PolarHBondContact O-N 3.42Š|
| 356 | L | 23.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -74.6 | 105 | 154.8 | -95.8 | 146.9 | 0 | 0 | 0 | 107.2 | Q358 | L356-Q358 PolarHBondContact O-N 2.81Å; L356-Q358 VanDerWaalsContact O-N 3.11Å | ||
| 357 | Y | 23.9 | Very low | 30.6 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 107.2 | 167.8 | -89.8 | -96.1 | 0 | 0 | 0 | 109.1 | Q355 | Q355-Y357 PolarHBondContact O-N 3.42Š| ||
| 358 | Q | 24.9 | Very low | 32.9 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 116.2 | 156.3 | -82.8 | -174.7 | -15.1 | 0 | 0 | 108.2 | L356 R360 | L356-Q358 PolarHBondContact O-N 2.81Å; L356-Q358 VanDerWaalsContact O-N 3.11Å; Q358-R360 PolarHBondContact O-N 3.17Å |
| 359 | H | 24.7 | Very low | 34.7 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55 | 124.1 | 177.1 | -82.6 | -91.1 | 0 | 0 | 0 | 111.4 | ||
| 360 | R | 27.6 | Very low | 37.2 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 135.9 | 161.2 | -158.2 | 178.3 | -172.3 | 178.8 | -2.1 | 108.3 | D257 Q358 L362 | D257-R360 IonicContact OD2-CZ 3.72Å; D257-R360 IonicContact OD2-NH1 2.78Å; D257-R360 PolarHBondContact OD2-NH1 3.41Å; Q358-R360 PolarHBondContact O-N 3.17Å; R360-L362 PolarHBondContact O-N 2.83Å |
| 361 | P | 28.6 | Very low | 40.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.5 | 160.8 | -10.5 | 25.4 | 0 | 0 | 0 | 107.8 | E363 | P361-E363 PolarHBondContact O-N 2.82Š|
| 362 | L | 29 | Very low | 43.4 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 95% | 0.953 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -68.1 | 14.7 | -177.6 | -101.1 | 135.9 | 0 | 0 | 0 | 114.7 | R360 | R360-L362 PolarHBondContact O-N 2.83Š|
| 363 | E | 32.2 | Very low | 46.7 | Very low | 176 Ų | 176 | 118.1 Ų | 118.1 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -140.5 | 72.5 | -173.8 | -66.6 | -178.9 | 167.8 | 0 | 0 | 110.3 | P361 | P361-E363 PolarHBondContact O-N 2.82Š| ||
| 364 | A | 38.9 | Very low | 49.9 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | trans | -79.7 | 120.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 365 | P | 44.1 | Very low | 53.1 | Low | 101 Ų | 101 | 109.9 Ų | 109.9 | 66% | 0.656 | 55% | 0.553 | S | S | * | * | trans | -61.1 | 140.8 | 177.8 | 24.1 | -31.5 | 0 | 0 | 0 | 110 | L367 | P365-L367 PolarHBondContact O-N 3.06Š| ||
| 366 | L | 48.9 | Very low | 56.1 | Low | 181 Ų | 181 | 104.5 Ų | 104.5 | 95% | 0.948 | 53% | 0.528 | S | S | * | . | trans | -63 | 104.3 | 171.9 | -70.9 | 167.1 | 0 | 0 | 0 | 108.5 | ||||
| 367 | L | 59.7 | Low | 58.9 | Low | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | trans | -74.6 | 140.2 | 175.9 | -62.6 | 170.4 | 0 | 0 | 0 | 109.7 | P365 C369 S392 | P365-L367 PolarHBondContact O-N 3.06Å; L367-C369 VanDerWaalsContact C-N 3.31Å; L367-S392 WeakPolarHBondContact CD2-OG 3.38Å | ||
| 368 | I | 72.9 | Confident | 61 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -62.6 | -42.2 | 176 | -63.1 | 170.1 | 0 | 0 | 0 | 110.2 | ||
| 369 | C | 79.2 | Confident | 62.8 | Low | 15 Ų | 15 | 91.8 Ų | 91.8 | 10% | 0.101 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -145.3 | 152.1 | 172.9 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | L367 | L367-C369 VanDerWaalsContact C-N 3.31Š|
| 370 | P | 81.3 | Confident | 64.4 | Low | 64 Ų | 64 | 90.6 Ų | 90.6 | 42% | 0.416 | 45% | 0.45 | S | S | . | . | trans | -66.5 | 150.5 | 175.7 | 28.3 | -34.1 | 0 | 0 | 0 | 110.9 | E276 | E276-P370 HydrophobicContact CG-CB 3.84Š| ||
| 371 | P | 86.4 | Confident | 65.4 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | trans | -59.5 | 139.8 | 175.2 | 24.9 | -34.8 | 0 | 0 | 0 | 111.8 | E276 Q389 G390 | E276-P371 VanDerWaalsContact O-CD 3.22Å; E276-P371 WeakPolarHBondContact O-CD 3.49Å; E276-P371 WeakPolarHBondContact O-CG 3.39Å; P371-Q389 HydrophobicContact CB-CG 4.04Å; P371-G390 CarbonylContact C-O 3.54Å; P371-G390 VanDerWaalsContact CA-O 3.24Å; P371-G390 WeakPolarHBondContact CA-O 3.37Å | ||
| 372 | V | 90.2 | Very high | 66.7 | Low | 22 Ų | 22 | 90.1 Ų | 90.1 | 13% | 0.133 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 110.2 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | S23 L25 Q389 G390 | S23-V372 VanDerWaalsContact C-CG2 3.47Å; S23-V372 WeakPolarHBondContact O-CG2 3.24Å; L25-V372 HydrophobicContact CB-CG1 3.92Å; V372-Q389 CarbonylContact O-C 3.54Å; V372-Q389 VanDerWaalsContact O-CA 3.29Å; V372-Q389 WeakPolarHBondContact O-CA 3.47Å; V372-G390 PolarHBondContact N-O 3.02Å; V372-G390 PolarHBondContact O-N 3.42Å |
| 373 | T | 92.2 | Very high | 68.7 | Low | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.018 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | W274 L387 I388 Q389 | W274-T373 HydrophobicContact CB-CG2 4.06Å; W274-T373 HydrophobicContact CD2-CG2 3.89Å; W274-T373 HydrophobicContact CE3-CG2 4.23Å; W274-T373 HydrophobicContact CG-CG2 3.81Å; W274-T373 WeakPolarHBondContact CZ2-O 3.39Å; W274-T373 PolarHBondContact NE1-O 3.47Å; T373-L387 HydrophobicContact CG2-CD1 3.5Å; T373-L387 HydrophobicContact CG2-CD2 4.44Å; T373-L387 HydrophobicContact CG2-CG 4.07Å; T373-I388 WeakPolarHBondContact CA-O 3.29Å; T373-Q389 WeakPolarHBondContact OG1-CG 3.21Å |
| 374 | R | 90.9 | Very high | 70.8 | Confident | 120 Ų | 120 | 80.7 Ų | 80.7 | 45% | 0.453 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.7 | 175.2 | -72.7 | -65.4 | -158.5 | -111.7 | 2.8 | 110.8 | L25 F376 I388 | L25-R374 HydrophobicContact CD2-CB 4.18Å; L25-R374 HydrophobicContact CD2-CG 4.47Å; R374-F376 HydrophobicContact CB-CD2 4.38Å; R374-F376 HydrophobicContact CB-CE2 3.46Å; R374-F376 VanDerWaalsContact CB-CE2 3.46Å; R374-F376 HydrophobicContact CB-CZ 3.61Å; R374-F376 HydrophobicContact CG-CZ 4.29Å; R374-I388 PolarHBondContact N-O 3.11Å; R374-I388 PolarHBondContact O-N 3.24Å |
| 375 | F | 90.9 | Very high | 73 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.3 | 172.4 | -179.4 | -102.5 | 0 | 0 | 0 | 110 | E264 I266 I272 W274 F377 K385 L386 L387 V401 | E264-F375 HydrophobicContact CB-CB 4.33Å; E264-F375 HydrophobicContact CB-CD1 4.32Å; E264-F375 HydrophobicContact CG-CD1 4.25Å; I266-F375 HydrophobicContact CB-CZ 4.3Å; I266-F375 HydrophobicContact CG1-CE1 4.27Å; I266-F375 HydrophobicContact CG1-CE2 4.23Å; I266-F375 HydrophobicContact CG1-CZ 3.96Å; I266-F375 HydrophobicContact CG2-CZ 4.01Å; I272-F375 HydrophobicContact CG2-CB 4.13Å; I272-F375 HydrophobicContact CG2-CD2 4.25Å; I272-F375 HydrophobicContact CG2-CG 4.06Å; W274-F375 HydrophobicContact CZ3-CB 4.18Å; F375-F377 HydrophobicContact CE1-CB 4.42Å; F375-K385 HydrophobicContact CE2-CB 3.97Å; F375-K385 HydrophobicContact CZ-CB 3.85Å; F375-K385 HydrophobicContact CZ-CD 4.47Å; F375-K385 HydrophobicContact CZ-CG 4.05Å; F375-L386 CarbonylContact C-O 3.56Å; F375-L386 WeakPolarHBondContact CA-O 3.37Å; F375-L386 WeakPolarHBondContact CD2-O 3.26Å; F375-L387 HydrophobicContact CB-CD1 4.32Å; F375-V401 HydrophobicContact CE2-CB 4.48Å; F375-V401 HydrophobicContact CE2-CG2 4.14Å |
| 376 | F | 87.5 | Confident | 75.2 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.4 | 178.8 | -60.7 | -82.5 | 0 | 0 | 0 | 110.4 | L25 V27 F31 R374 L386 I388 | L25-F376 HydrophobicContact CD2-CE2 3.49Å; L25-F376 VanDerWaalsContact CD2-CE2 3.49Å; L25-F376 HydrophobicContact CD2-CZ 3.64Å; V27-F376 HydrophobicContact CB-CD1 3.73Å; V27-F376 HydrophobicContact CB-CD2 4.2Å; V27-F376 HydrophobicContact CB-CE1 3.7Å; V27-F376 HydrophobicContact CB-CE2 4.17Å; V27-F376 HydrophobicContact CB-CG 4Å; V27-F376 HydrophobicContact CB-CZ 3.93Å; V27-F376 HydrophobicContact CG2-CD1 4.05Å; V27-F376 HydrophobicContact CG2-CD2 3.61Å; V27-F376 HydrophobicContact CG2-CE1 3.88Å; V27-F376 HydrophobicContact CG2-CE2 3.42Å; V27-F376 VanDerWaalsContact CG2-CE2 3.42Å; V27-F376 HydrophobicContact CG2-CG 3.93Å; V27-F376 HydrophobicContact CG2-CZ 3.57Å; F31-F376 HydrophobicContact CE1-CB 3.71Å; F31-F376 HydrophobicContact CZ-CB 4.07Å; R374-F376 HydrophobicContact CB-CD2 4.38Å; R374-F376 HydrophobicContact CB-CE2 3.46Å; R374-F376 VanDerWaalsContact CB-CE2 3.46Å; R374-F376 HydrophobicContact CB-CZ 3.61Å; R374-F376 HydrophobicContact CG-CZ 4.29Å; F376-L386 PolarHBondContact N-O 2.57Å; F376-L386 PolarHBondContact O-N 3.36Å; F376-I388 HydrophobicContact CD2-CD1 3.92Å; F376-I388 HydrophobicContact CD2-CG1 4.26Å; F376-I388 HydrophobicContact CE2-CB 4.39Å; F376-I388 HydrophobicContact CE2-CD1 4.03Å; F376-I388 HydrophobicContact CE2-CG1 4.42Å |
| 377 | F | 82.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.8 | 175.9 | -173.4 | -88.1 | 0 | 0 | 0 | 110.5 | F31 F225 F375 R379 K385 | F31-F377 VanDerWaalsContact CZ-C 3.44Å; F31-F377 WeakPolarHBondContact CZ-O 3.37Å; F225-F377 HydrophobicContact CZ-CE2 4.38Å; F375-F377 HydrophobicContact CE1-CB 4.42Å; F377-R379 HydrophobicContact CD1-CG 4.49Å; F377-R379 PolarHBondContact O-N 2.77Å; F377-K385 HydrophobicContact CD2-CG 3.83Å; F377-K385 HydrophobicContact CE2-CD 4.44Å; F377-K385 VanDerWaalsContact CE2-CE 3.48Å; F377-K385 HydrophobicContact CE2-CG 4.03Å |
| 378 | G | 68.9 | Low | 78.8 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -58.4 | 129.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F383 H384 | G378-F383 WeakPolarHBondContact O-CD1 3.08Å; G378-H384 WeakPolarHBondContact CA-O 3.16Å; G378-H384 PolarHBondContact N-O 3.32Å | ||
| 379 | R | 62.8 | Low | 79.8 | Confident | 205 Ų | 205 | 55 Ų | 55 | 77% | 0.774 | 25% | 0.252 | S | S | * | . | trans | -104.7 | 1.6 | 177 | -63.1 | -175.4 | -177.6 | -178.8 | 1.1 | 113.6 | F377 | F377-R379 HydrophobicContact CD1-CG 4.49Å; F377-R379 PolarHBondContact O-N 2.77Å | ||
| 380 | R | 57.7 | Low | 80.4 | Confident | 157 Ų | 157 | 54.3 Ų | 54.3 | 59% | 0.592 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -122.4 | 148.9 | 179.9 | -71.8 | -175.5 | 172.3 | -175.2 | -1.8 | 109.8 | P382 F383 | R380-P382 CarbonylContact O-C 3.53Å; R380-F383 PolarHBondContact O-N 2.73Å |
| 381 | E | 48.7 | Very low | 80.8 | Confident | 167 Ų | 167 | 52.5 Ų | 52.5 | 78% | 0.78 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -70.8 | 134.7 | 178.1 | -74.5 | -174.5 | 168.9 | 0 | 0 | 111.8 | F383 | E381-F383 HydrophobicContact CG-CD2 3.92Å; E381-F383 HydrophobicContact CG-CE2 3.44Å; E381-F383 VanDerWaalsContact CG-CE2 3.44Å; E381-F383 HydrophobicContact CG-CZ 4.05Å |
| 382 | P | 56.2 | Low | 80.9 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | S | Bend | cis | -71.1 | 137.2 | -4 | -5.2 | 20.8 | 0 | 0 | 0 | 111.4 | R380 H384 | R380-P382 CarbonylContact O-C 3.53Å; P382-H384 PolarHBondContact O-CE1 2.98Å; P382-H384 PolarHBondContact O-N 2.77Å; P382-H384 VanDerWaalsContact O-N 3.08Å; P382-H384 PolarHBondContact O-ND1 3.45Å |
| 383 | F | 71.6 | Confident | 80.6 | Confident | 115 Ų | 115 | 55.6 Ų | 55.6 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | trans | -67.8 | 109 | 176.9 | -64.8 | -81.9 | 0 | 0 | 0 | 109.4 | G378 R380 E381 | G378-F383 WeakPolarHBondContact O-CD1 3.08Å; R380-F383 PolarHBondContact O-N 2.73Å; E381-F383 HydrophobicContact CG-CD2 3.92Å; E381-F383 HydrophobicContact CG-CE2 3.44Å; E381-F383 VanDerWaalsContact CG-CE2 3.44Å; E381-F383 HydrophobicContact CG-CZ 4.05Å | ||
| 384 | H | 75 | Confident | 80.4 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | trans | -102.8 | 134.4 | 177.8 | -66.4 | 89.4 | 0 | 0 | 0 | 110.6 | G378 P382 L386 | G378-H384 WeakPolarHBondContact CA-O 3.16Å; G378-H384 PolarHBondContact N-O 3.32Å; P382-H384 PolarHBondContact O-CE1 2.98Å; P382-H384 PolarHBondContact O-N 2.77Å; P382-H384 VanDerWaalsContact O-N 3.08Å; P382-H384 PolarHBondContact O-ND1 3.45Å; H384-L386 HydrophobicContact CB-CD1 4.14Å; H384-L386 HydrophobicContact CB-CD2 3.78Å; H384-L386 HydrophobicContact CB-CG 3.75Å | ||
| 385 | K | 86.6 | Confident | 80.4 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.087 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105.8 | 164 | -71.8 | 174.2 | 169.6 | 176.8 | 0 | 107.3 | I266 F375 F377 V401 D403 | I266-K385 HydrophobicContact CG2-CD 3.73Å; I266-K385 PolarHBondContact O-NZ 3.12Å; F375-K385 HydrophobicContact CE2-CB 3.97Å; F375-K385 HydrophobicContact CZ-CB 3.85Å; F375-K385 HydrophobicContact CZ-CD 4.47Å; F375-K385 HydrophobicContact CZ-CG 4.05Å; F377-K385 HydrophobicContact CD2-CG 3.83Å; F377-K385 HydrophobicContact CE2-CD 4.44Å; F377-K385 VanDerWaalsContact CE2-CE 3.48Å; F377-K385 HydrophobicContact CE2-CG 4.03Å; K385-V401 HydrophobicContact CB-CB 3.89Å; K385-V401 PolarHBondContact O-N 3.35Å; K385-D403 VanDerWaalsContact CD-OD1 3.3Å; K385-D403 WeakPolarHBondContact CD-OD1 3.18Å; K385-D403 WeakPolarHBondContact CE-OD1 3.13Å; K385-D403 IonicContact NZ-OD1 2.64Å; K385-D403 PolarHBondContact NZ-OD1 3.23Å |
| 386 | L | 89.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.8 | -171.3 | -59.9 | -180 | 0 | 0 | 0 | 109.9 | F31 M48 L52 F375 F376 H384 L398 W399 | F31-L386 HydrophobicContact CD1-CD1 3.99Å; F31-L386 HydrophobicContact CE1-CD1 4.37Å; M48-L386 HydrophobicContact CE-CD1 3.82Å; M48-L386 HydrophobicContact SD-CD1 4.17Å; L52-L386 HydrophobicContact CD1-CD2 4.18Å; L52-L386 HydrophobicContact CD2-CD1 4.13Å; L52-L386 HydrophobicContact CD2-CD2 3.95Å; F375-L386 CarbonylContact C-O 3.56Å; F375-L386 WeakPolarHBondContact CA-O 3.37Å; F375-L386 WeakPolarHBondContact CD2-O 3.26Å; F376-L386 PolarHBondContact N-O 2.57Å; F376-L386 PolarHBondContact O-N 3.36Å; H384-L386 HydrophobicContact CB-CD1 4.14Å; H384-L386 HydrophobicContact CB-CD2 3.78Å; H384-L386 HydrophobicContact CB-CG 3.75Å; L386-L398 HydrophobicContact CB-CD1 3.97Å; L386-L398 HydrophobicContact CD1-CD1 4.18Å; L386-L398 HydrophobicContact CD2-CD1 4.1Å; L386-L398 HydrophobicContact CG-CD1 4.29Å; L386-W399 WeakPolarHBondContact CA-O 3.45Å |
| 387 | L | 91.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.9 | 162.5 | -174.5 | 71.3 | 0 | 0 | 0 | 107.6 | I272 I315 T373 F375 L398 W399 V401 | I272-L387 HydrophobicContact CD1-CD1 3.86Å; I272-L387 HydrophobicContact CD1-CD2 4.05Å; I272-L387 HydrophobicContact CD1-CG 4.45Å; I315-L387 HydrophobicContact CD1-CD2 3.66Å; I315-L387 HydrophobicContact CG2-CD2 4.42Å; T373-L387 HydrophobicContact CG2-CD1 3.5Å; T373-L387 HydrophobicContact CG2-CD2 4.44Å; T373-L387 HydrophobicContact CG2-CG 4.07Å; F375-L387 HydrophobicContact CB-CD1 4.32Å; L387-L398 WeakPolarHBondContact O-CA 3.03Å; L387-W399 HydrophobicContact CB-CB 4.31Å; L387-W399 HydrophobicContact CB-CE3 4.31Å; L387-W399 HydrophobicContact CD2-CE3 4.13Å; L387-W399 HydrophobicContact CG-CE3 4.22Å; L387-W399 PolarHBondContact N-O 3.08Å; L387-W399 PolarHBondContact O-N 3.33Å; L387-V401 HydrophobicContact CB-CG2 4.39Å |
| 388 | I | 93.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.1 | 176.4 | -55.7 | 174.7 | 0 | 0 | 0 | 108.7 | L25 V27 I34 T373 R374 F376 L396 S397 L398 | L25-I388 HydrophobicContact CD1-CB 4.28Å; L25-I388 HydrophobicContact CD1-CG2 3.49Å; L25-I388 VanDerWaalsContact CD1-CG2 3.49Å; L25-I388 HydrophobicContact CD2-CB 4.14Å; L25-I388 HydrophobicContact CD2-CG2 4.09Å; L25-I388 HydrophobicContact CG-CG2 4.43Å; V27-I388 HydrophobicContact CG2-CD1 3.44Å; V27-I388 VanDerWaalsContact CG2-CD1 3.44Å; I34-I388 HydrophobicContact CD1-CD1 4.07Å; I34-I388 HydrophobicContact CG1-CD1 4.42Å; T373-I388 WeakPolarHBondContact CA-O 3.29Å; R374-I388 PolarHBondContact N-O 3.11Å; R374-I388 PolarHBondContact O-N 3.24Å; F376-I388 HydrophobicContact CD2-CD1 3.92Å; F376-I388 HydrophobicContact CD2-CG1 4.26Å; F376-I388 HydrophobicContact CE2-CB 4.39Å; F376-I388 HydrophobicContact CE2-CD1 4.03Å; F376-I388 HydrophobicContact CE2-CG1 4.42Å; I388-L396 HydrophobicContact CG2-CD2 4.19Å; I388-S397 WeakPolarHBondContact CA-O 3.35Å; I388-L398 HydrophobicContact CD1-CD1 3.97Å; I388-L398 HydrophobicContact CG1-CD1 3.42Å; I388-L398 VanDerWaalsContact CG1-CD1 3.42Å |
| 389 | Q | 93.3 | Very high | 82.2 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.2 | 174.3 | -175.5 | 178 | -19.4 | 0 | 0 | 109.6 | G278 P371 V372 T373 L396 S397 W399 | G278-Q389 PolarHBondContact O-OE1 2.87Å; G278-Q389 VanDerWaalsContact O-OE1 3.11Å; P371-Q389 HydrophobicContact CB-CG 4.04Å; V372-Q389 CarbonylContact O-C 3.54Å; V372-Q389 VanDerWaalsContact O-CA 3.29Å; V372-Q389 WeakPolarHBondContact O-CA 3.47Å; T373-Q389 WeakPolarHBondContact OG1-CG 3.21Å; Q389-L396 WeakPolarHBondContact O-CA 3.45Å; Q389-S397 PolarHBondContact N-O 3.27Å; Q389-S397 PolarHBondContact O-N 3Å; Q389-W399 HydrophobicContact CB-CH2 3.81Å; Q389-W399 HydrophobicContact CB-CZ3 3.53Å |
| 390 | G | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P371 V372 R395 | P371-G390 CarbonylContact C-O 3.54Å; P371-G390 VanDerWaalsContact CA-O 3.24Å; P371-G390 WeakPolarHBondContact CA-O 3.37Å; V372-G390 PolarHBondContact N-O 3.02Å; V372-G390 PolarHBondContact O-N 3.42Å; G390-R395 WeakPolarHBondContact CA-O 3.37Å |
| 391 | D | 89.7 | Confident | 84.6 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | trans | -101.9 | 175.6 | 177.4 | 75.4 | 8.3 | 0 | 0 | 0 | 112.9 | I22 A393 G394 R395 | I22-D391 WeakPolarHBondContact CB-O 3.35Å; I22-D391 PolarHBondContact N-O 2.83Å; I22-D391 VanDerWaalsContact N-O 3.12Å; D391-A393 VanDerWaalsContact C-N 3.25Å; D391-A393 PolarHBondContact O-N 2.66Å; D391-A393 WeakPolarHBondContact OD1-CA 3.37Å; D391-A393 WeakPolarHBondContact OD1-CB 3.47Å; D391-A393 PolarHBondContact OD1-N 3.33Å; D391-G394 PolarHBondContact O-N 3.28Å; D391-G394 PolarHBondContact OD1-N 3.3Å; D391-R395 PolarHBondContact N-O 2.86Å; D391-R395 WeakPolarHBondContact OD1-CB 3.14Å; D391-R395 PolarHBondContact OD1-N 3.09Å; D391-R395 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 392 | S | 87.4 | Confident | 85.9 | Confident | 20 Ų | 20 | 28 Ų | 28 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.7 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | C21 L367 G394 | C21-S392 WeakPolarHBondContact CA-O 3.42Å; C21-S392 WeakPolarHBondContact CB-O 3.25Å; C21-S392 PolarHBondContact SG-O 3.03Å; L367-S392 WeakPolarHBondContact CD2-OG 3.38Å; S392-G394 VanDerWaalsContact C-N 3.3Å |
| 393 | A | 84.9 | Confident | 86.5 | Confident | 81 Ų | 81 | 28.7 Ų | 28.7 | 67% | 0.669 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | D391 | D391-A393 VanDerWaalsContact C-N 3.25Å; D391-A393 PolarHBondContact O-N 2.66Å; D391-A393 WeakPolarHBondContact OD1-CA 3.37Å; D391-A393 WeakPolarHBondContact OD1-CB 3.47Å; D391-A393 PolarHBondContact OD1-N 3.33Å |
| 394 | G | 87.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 83.7 | 19.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H20 D391 S392 | H20-G394 WeakPolarHBondContact O-CA 3.41Å; D391-G394 PolarHBondContact O-N 3.28Å; D391-G394 PolarHBondContact OD1-N 3.3Å; S392-G394 VanDerWaalsContact C-N 3.3Å |
| 395 | R | 90.9 | Very high | 85 | Confident | 71 Ų | 71 | 27.9 Ų | 27.9 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.3 | 171.3 | -176.4 | 178.5 | -69.1 | -71.9 | -2.2 | 109.7 | G390 D391 T421 E426 | G390-R395 WeakPolarHBondContact CA-O 3.37Å; D391-R395 PolarHBondContact N-O 2.86Å; D391-R395 WeakPolarHBondContact OD1-CB 3.14Å; D391-R395 PolarHBondContact OD1-N 3.09Å; D391-R395 WeakPolarHBondContact OD2-CB 3.38Å; R395-T421 WeakPolarHBondContact CD-OG1 3.19Å; R395-T421 VanDerWaalsContact CG-OG1 3.31Å; R395-T421 WeakPolarHBondContact CG-OG1 3.38Å; R395-T421 PolarHBondContact NH1-OG1 2.94Å; R395-E426 IonicContact CZ-OE1 3.19Å; R395-E426 IonicContact NH1-OE1 3.98Å; R395-E426 PolarHBondContact NH1-OE1 2.89Å; R395-E426 IonicContact NH1-OE2 3.56Å; R395-E426 PolarHBondContact NH1-OE2 2.94Å; R395-E426 IonicContact NH2-OE1 2.71Å; R395-E426 PolarHBondContact NH2-OE1 3.09Å |
| 396 | L | 93.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.2 | 167.2 | -77.7 | 173.9 | 0 | 0 | 0 | 109.5 | I22 L25 T36 W46 I54 I388 Q389 T421 I422 | I22-L396 HydrophobicContact CD1-CD2 3.66Å; I22-L396 HydrophobicContact CD1-CG 3.79Å; L25-L396 HydrophobicContact CD1-CD2 3.73Å; T36-L396 HydrophobicContact CG2-CD1 4.04Å; T36-L396 HydrophobicContact CG2-CD2 3.83Å; T36-L396 HydrophobicContact CG2-CG 4.36Å; W46-L396 HydrophobicContact CD2-CD1 3.55Å; W46-L396 VanDerWaalsContact CE2-CD1 3.42Å; W46-L396 HydrophobicContact CE3-CD1 4.02Å; W46-L396 HydrophobicContact CG-CD1 3.9Å; W46-L396 HydrophobicContact CH2-CD1 4.2Å; W46-L396 HydrophobicContact CZ2-CD1 3.79Å; W46-L396 HydrophobicContact CZ2-CG 4.46Å; W46-L396 HydrophobicContact CZ3-CD1 4.32Å; I54-L396 HydrophobicContact CD1-CB 4.4Å; I54-L396 HydrophobicContact CG2-CD1 4.29Å; I388-L396 HydrophobicContact CG2-CD2 4.19Å; Q389-L396 WeakPolarHBondContact O-CA 3.45Å; L396-T421 CarbonylContact O-C 3.52Å; L396-T421 WeakPolarHBondContact O-CA 2.75Å; L396-T421 PolarHBondContact O-OG1 2.78Å; L396-I422 PolarHBondContact N-O 3.29Å; L396-I422 PolarHBondContact O-N 3.28Å |
| 397 | S | 92.1 | Very high | 81.5 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.2 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | E317 I388 Q389 W399 T421 | E317-S397 PolarHBondContact OE1-OG 3.44Å; I388-S397 WeakPolarHBondContact CA-O 3.35Å; Q389-S397 PolarHBondContact N-O 3.27Å; Q389-S397 PolarHBondContact O-N 3Å; S397-W399 WeakPolarHBondContact O-CZ3 3.49Å; S397-T421 PolarHBondContact OG-OG1 3.22Å |
| 398 | L | 91.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.1 | -173.6 | 174.7 | 74.1 | 0 | 0 | 0 | 110.5 | M48 L52 I54 L386 L387 I388 S419 S420 | M48-L398 HydrophobicContact SD-CD2 4.05Å; L52-L398 HydrophobicContact CB-CD2 3.73Å; L52-L398 HydrophobicContact CD2-CD2 4.23Å; L52-L398 HydrophobicContact CG-CD2 4.4Å; L52-L398 WeakPolarHBondContact O-CD2 3.38Å; I54-L398 HydrophobicContact CD1-CB 4.09Å; I54-L398 HydrophobicContact CD1-CD2 4.33Å; L386-L398 HydrophobicContact CB-CD1 3.97Å; L386-L398 HydrophobicContact CD1-CD1 4.18Å; L386-L398 HydrophobicContact CD2-CD1 4.1Å; L386-L398 HydrophobicContact CG-CD1 4.29Å; L387-L398 WeakPolarHBondContact O-CA 3.03Å; I388-L398 HydrophobicContact CD1-CD1 3.97Å; I388-L398 HydrophobicContact CG1-CD1 3.42Å; I388-L398 VanDerWaalsContact CG1-CD1 3.42Å; L398-S419 WeakPolarHBondContact O-CA 3.07Å; L398-S419 WeakPolarHBondContact O-CB 3.37Å; L398-S419 PolarHBondContact O-N 2.54Å; L398-S420 WeakPolarHBondContact CD2-OG 3.4Å; L398-S420 PolarHBondContact N-O 2.79Å; L398-S420 PolarHBondContact O-N 3.28Å |
| 399 | W | 90.2 | Very high | 77.1 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.4 | 174.8 | -57.8 | -103.5 | 0 | 0 | 0 | 111.1 | I315 L386 L387 Q389 S397 L416 M418 | I315-W399 HydrophobicContact CG2-CD2 4.06Å; I315-W399 HydrophobicContact CG2-CG 4.16Å; I315-W399 HydrophobicContact CG2-CZ2 4.2Å; L386-W399 WeakPolarHBondContact CA-O 3.45Å; L387-W399 HydrophobicContact CB-CB 4.31Å; L387-W399 HydrophobicContact CB-CE3 4.31Å; L387-W399 HydrophobicContact CD2-CE3 4.13Å; L387-W399 HydrophobicContact CG-CE3 4.22Å; L387-W399 PolarHBondContact N-O 3.08Å; L387-W399 PolarHBondContact O-N 3.33Å; Q389-W399 HydrophobicContact CB-CH2 3.81Å; Q389-W399 HydrophobicContact CB-CZ3 3.53Å; S397-W399 WeakPolarHBondContact O-CZ3 3.49Å; W399-L416 HydrophobicContact CB-CD2 3.77Å; W399-L416 HydrophobicContact CG-CD2 4.29Å; W399-M418 VanDerWaalsContact CD1-CA 3.44Å; W399-M418 HydrophobicContact CZ2-CG 4.47Å; W399-M418 HydrophobicContact CZ2-SD 4.32Å |
| 400 | S | 86.8 | Confident | 74.6 | Confident | 44 Ų | 44 | 52.3 Ų | 52.3 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 113.7 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | S419 | S400-S419 PolarHBondContact N-OG 2.83Å |
| 401 | V | 84.4 | Confident | 72.3 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | trans | -83.3 | 120.1 | -179.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | I282 F375 K385 L387 | I282-V401 HydrophobicContact CD1-CG1 3.65Å; F375-V401 HydrophobicContact CE2-CB 4.48Å; F375-V401 HydrophobicContact CE2-CG2 4.14Å; K385-V401 HydrophobicContact CB-CB 3.89Å; K385-V401 PolarHBondContact O-N 3.35Å; L387-V401 HydrophobicContact CB-CG2 4.39Å | ||
| 402 | P | 76.6 | Confident | 70.4 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | trans | -73.6 | 146.7 | -178.2 | 29.6 | -32.9 | 0 | 0 | 0 | 111.9 | Y313 L416 | Y313-P402 HydrophobicContact CE2-CG 4.31Å; P402-L416 HydrophobicContact CG-CD1 4.33Å | ||
| 403 | D | 67.7 | Low | 69 | Low | 104 Ų | 104 | 65 Ų | 65 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -72.6 | -32.2 | 174.7 | -79.3 | -37.1 | 0 | 0 | 0 | 113 | K270 K385 | K270-D403 PolarHBondContact NZ-O 2.57Å; K385-D403 VanDerWaalsContact CD-OD1 3.3Å; K385-D403 WeakPolarHBondContact CD-OD1 3.18Å; K385-D403 WeakPolarHBondContact CE-OD1 3.13Å; K385-D403 IonicContact NZ-OD1 2.64Å; K385-D403 PolarHBondContact NZ-OD1 3.23Å |
| 404 | A | 58.8 | Low | 68.1 | Low | 68 Ų | 68 | 64 Ų | 64 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73 | 130.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y313 | Y313-A404 PolarHBondContact OH-O 3.31Š|
| 405 | T | 57.3 | Low | 67.3 | Low | 74 Ų | 74 | 69.2 Ų | 69.2 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.9 | 162.7 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 406 | P | 56.6 | Low | 66.5 | Low | 41 Ų | 41 | 66.7 Ų | 66.7 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 140.5 | 173.5 | 23.8 | -29.4 | 0 | 0 | 0 | 109.4 | I312 Q408 | I312-P406 HydrophobicContact CG2-CG 4.09Å; P406-Q408 PolarHBondContact O-N 3.27Å |
| 407 | P | 44.8 | Very low | 65.5 | Low | 137 Ų | 137 | 74.9 Ų | 74.9 | 89% | 0.89 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -68.4 | -3.6 | -167.5 | 21.7 | -30.9 | 0 | 0 | 0 | 115.7 | ||
| 408 | Q | 45.4 | Very low | 64.9 | Low | 146 Ų | 146 | 79 Ų | 79 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -144.1 | 142.7 | 173.1 | -73.1 | -177.2 | -9.2 | 0 | 0 | 111.4 | P406 T410 | P406-Q408 PolarHBondContact O-N 3.27Å; Q408-T410 VanDerWaalsContact C-N 3.35Å; Q408-T410 PolarHBondContact O-N 2.85Å |
| 409 | P | 46.2 | Very low | 64.3 | Low | 137 Ų | 137 | 81.7 Ų | 81.7 | 89% | 0.89 | 48% | 0.479 | S | S | * | . | trans | -70.1 | 91.5 | 167.9 | 28.7 | -30.6 | 0 | 0 | 0 | 109 | ||||
| 410 | T | 41.6 | Very low | 64.1 | Low | 78 Ų | 78 | 82.3 Ų | 82.3 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | trans | -74.5 | 140.9 | 170.8 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | Q408 T412 | Q408-T410 VanDerWaalsContact C-N 3.35Å; Q408-T410 PolarHBondContact O-N 2.85Å; T410-T412 PolarHBondContact O-N 3.43Å; T410-T412 VanDerWaalsContact O-N 3.11Å; T410-T412 PolarHBondContact OG1-O 3.43Å | ||
| 411 | T | 44.5 | Very low | 64.2 | Low | 153 Ų | 153 | 82.4 Ų | 82.4 | 94% | 0.939 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -65.8 | -9.5 | 177.4 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 412 | T | 50.3 | Low | 64.5 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -114.2 | 131.7 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | T410 | T410-T412 PolarHBondContact O-N 3.43Å; T410-T412 VanDerWaalsContact O-N 3.11Å; T410-T412 PolarHBondContact OG1-O 3.43Å |
| 413 | P | 58.3 | Low | 65.3 | Low | 65 Ų | 65 | 80.8 Ų | 80.8 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.4 | 176.4 | 25.6 | -32.1 | 0 | 0 | 0 | 110.6 | L311 | L311-P413 HydrophobicContact CD2-CB 3.82Å; L311-P413 HydrophobicContact CD2-CG 4.08Å; L311-P413 HydrophobicContact CG-CB 4.22Å |
| 414 | T | 65.9 | Low | 66.4 | Low | 59 Ų | 59 | 76.1 Ų | 76.1 | 36% | 0.362 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.6 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | Y313 S314 | Y313-T414 WeakPolarHBondContact CA-O 3.33Å; Y313-T414 HydrophobicContact CD1-CG2 4.39Å; Y313-T414 HydrophobicContact CE1-CG2 4.23Å; S314-T414 PolarHBondContact N-O 3.36Å |
| 415 | E | 69 | Low | 67.9 | Low | 112 Ų | 112 | 76 Ų | 76 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.5 | 175.7 | -163.4 | -177.6 | 179.7 | 0 | 0 | 110 | S314 | S314-E415 WeakPolarHBondContact O-CA 3.32Å |
| 416 | L | 75.6 | Confident | 69.5 | Low | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.094 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 133 | -176.4 | -154 | 127.7 | 0 | 0 | 0 | 111.1 | Y313 S314 I315 W399 P402 | Y313-L416 HydrophobicContact CD1-CD1 4.1Å; Y313-L416 HydrophobicContact CE1-CD1 4.47Å; Y313-L416 HydrophobicContact CG-CD1 4.13Å; S314-L416 PolarHBondContact O-N 2.91Å; I315-L416 HydrophobicContact CD1-CB 4.3Å; I315-L416 HydrophobicContact CD1-CD2 4.45Å; I315-L416 HydrophobicContact CG1-CB 3.87Å; W399-L416 HydrophobicContact CB-CD2 3.77Å; W399-L416 HydrophobicContact CG-CD2 4.29Å; P402-L416 HydrophobicContact CG-CD1 4.33Å |
| 417 | Q | 71.9 | Confident | 71 | Confident | 171 Ų | 171 | 73.3 Ų | 73.3 | 80% | 0.799 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 135.2 | -179.9 | -67.9 | -149.5 | -22.7 | 0 | 0 | 112.6 | ||
| 418 | M | 78.7 | Confident | 73.1 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 132 | 175.1 | -170.6 | 171.6 | 64.2 | 0 | 0 | 110.9 | W399 T421 | W399-M418 VanDerWaalsContact CD1-CA 3.44Å; W399-M418 HydrophobicContact CZ2-CG 4.47Å; W399-M418 HydrophobicContact CZ2-SD 4.32Å; M418-T421 HydrophobicContact CE-CG2 3.4Å; M418-T421 VanDerWaalsContact CE-CG2 3.4Å; M418-T421 HydrophobicContact SD-CG2 4.26Å |
| 419 | S | 80.3 | Confident | 75 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | trans | -85 | -43.1 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | L398 S400 | L398-S419 WeakPolarHBondContact O-CA 3.07Å; L398-S419 WeakPolarHBondContact O-CB 3.37Å; L398-S419 PolarHBondContact O-N 2.54Å; S400-S419 PolarHBondContact N-OG 2.83Å | ||
| 420 | S | 84.4 | Confident | 76.9 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 154 | 172.3 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | L52 L398 | L52-S420 VanDerWaalsContact O-CB 3.24Å; L52-S420 WeakPolarHBondContact O-CB 3.28Å; L52-S420 PolarHBondContact O-OG 2.79Å; L398-S420 WeakPolarHBondContact CD2-OG 3.4Å; L398-S420 PolarHBondContact N-O 2.79Å; L398-S420 PolarHBondContact O-N 3.28Å |
| 421 | T | 90.3 | Very high | 78.7 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.7 | 170.4 | -175.1 | 0 | 0 | 0 | 0 | 109 | R395 L396 S397 M418 | R395-T421 WeakPolarHBondContact CD-OG1 3.19Å; R395-T421 VanDerWaalsContact CG-OG1 3.31Å; R395-T421 WeakPolarHBondContact CG-OG1 3.38Å; R395-T421 PolarHBondContact NH1-OG1 2.94Å; L396-T421 CarbonylContact O-C 3.52Å; L396-T421 WeakPolarHBondContact O-CA 2.75Å; L396-T421 PolarHBondContact O-OG1 2.78Å; S397-T421 PolarHBondContact OG-OG1 3.22Å; M418-T421 HydrophobicContact CE-CG2 3.4Å; M418-T421 VanDerWaalsContact CE-CG2 3.4Å; M418-T421 HydrophobicContact SD-CG2 4.26Å |
| 422 | I | 91 | Very high | 80.1 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.5 | 174.4 | -164.2 | 163.3 | 0 | 0 | 0 | 110.9 | W46 I54 L396 A427 | W46-I422 HydrophobicContact CZ3-CG2 4.14Å; I54-I422 HydrophobicContact CB-CG2 3.75Å; I54-I422 HydrophobicContact CG2-CG2 3.78Å; I54-I422 VanDerWaalsContact O-CD1 3.27Å; I54-I422 WeakPolarHBondContact O-CD1 3.44Å; L396-I422 PolarHBondContact N-O 3.29Å; L396-I422 PolarHBondContact O-N 3.28Å; I422-A427 HydrophobicContact CD1-CB 3.84Å; I422-A427 HydrophobicContact CG1-CB 4.22Å |
| 423 | S | 92.4 | Very high | 81.2 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 164 | 163.6 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | Q425 E426 A427 | S423-Q425 VanDerWaalsContact C-N 3.28Å; S423-Q425 PolarHBondContact O-N 3.41Å; S423-E426 PolarHBondContact N-OE2 3.39Å; S423-E426 PolarHBondContact O-N 3.23Å; S423-E426 WeakPolarHBondContact OG-CG 3.44Å; S423-E426 PolarHBondContact OG-N 2.93Å; S423-A427 PolarHBondContact O-N 2.94Å |
| 424 | L | 90.8 | Very high | 82 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 175.1 | -71 | 178.2 | 0 | 0 | 0 | 112 | A17 P18 H20 W46 P56 M59 A427 F428 L880 | A17-L424 HydrophobicContact CB-CB 3.89Å; P18-L424 HydrophobicContact CG-CD1 4.3Å; P18-L424 WeakPolarHBondContact O-CD1 3.3Å; H20-L424 HydrophobicContact CB-CD1 3.49Å; H20-L424 VanDerWaalsContact CB-CD1 3.49Å; W46-L424 HydrophobicContact CH2-CD2 3.43Å; W46-L424 VanDerWaalsContact CH2-CD2 3.43Å; W46-L424 HydrophobicContact CH2-CG 3.71Å; W46-L424 HydrophobicContact CZ2-CD2 3.99Å; W46-L424 HydrophobicContact CZ2-CG 4.23Å; W46-L424 HydrophobicContact CZ3-CD2 3.91Å; P56-L424 HydrophobicContact CB-CD2 3.7Å; P56-L424 HydrophobicContact CG-CD2 3.93Å; M59-L424 HydrophobicContact CE-CD1 3.88Å; L424-A427 WeakPolarHBondContact O-CB 3.21Å; L424-A427 PolarHBondContact O-N 2.83Å; L424-F428 VanDerWaalsContact O-CD2 3.27Å; L424-F428 WeakPolarHBondContact O-CD2 3.49Å; L424-F428 PolarHBondContact O-N 2.86Å; L424-L880 HydrophobicContact CD2-CD1 4.09Å |
| 425 | Q | 90.8 | Very high | 82.7 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 179 | -172.4 | 60 | 56.1 | 0 | 0 | 111.8 | R15 A17 S423 A427 F428 D429 | R15-Q425 PolarHBondContact O-NE2 3.44Å; A17-Q425 HydrophobicContact CB-CB 4.29Å; S423-Q425 VanDerWaalsContact C-N 3.28Å; S423-Q425 PolarHBondContact O-N 3.41Å; Q425-A427 PolarHBondContact O-N 3.1Å; Q425-F428 PolarHBondContact O-N 2.92Å; Q425-F428 VanDerWaalsContact O-N 3.1Å; Q425-D429 PolarHBondContact NE2-OD1 3.12Å; Q425-D429 VanDerWaalsContact O-CG 3.25Å; Q425-D429 PolarHBondContact O-N 3.47Å |
| 426 | E | 90.1 | Very high | 83.3 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 175.5 | -74.9 | 175.7 | -173.3 | 0 | 0 | 112.4 | R395 S423 K430 | R395-E426 IonicContact CZ-OE1 3.19Å; R395-E426 IonicContact NH1-OE1 3.98Å; R395-E426 PolarHBondContact NH1-OE1 2.89Å; R395-E426 IonicContact NH1-OE2 3.56Å; R395-E426 PolarHBondContact NH1-OE2 2.94Å; R395-E426 IonicContact NH2-OE1 2.71Å; R395-E426 PolarHBondContact NH2-OE1 3.09Å; S423-E426 PolarHBondContact N-OE2 3.39Å; S423-E426 PolarHBondContact O-N 3.23Å; S423-E426 WeakPolarHBondContact OG-CG 3.44Å; S423-E426 PolarHBondContact OG-N 2.93Å; E426-K430 WeakPolarHBondContact O-CD 3.34Å; E426-K430 VanDerWaalsContact O-CG 3.28Å; E426-K430 WeakPolarHBondContact O-CG 3.33Å; E426-K430 PolarHBondContact O-N 3Å |
| 427 | A | 88.6 | Confident | 83.7 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | P56 I422 S423 L424 Q425 K430 T882 | P56-A427 HydrophobicContact CG-CB 3.5Å; I422-A427 HydrophobicContact CD1-CB 3.84Å; I422-A427 HydrophobicContact CG1-CB 4.22Å; S423-A427 PolarHBondContact O-N 2.94Å; L424-A427 WeakPolarHBondContact O-CB 3.21Å; L424-A427 PolarHBondContact O-N 2.83Å; Q425-A427 PolarHBondContact O-N 3.1Å; A427-K430 PolarHBondContact O-N 3.18Å; A427-T882 HydrophobicContact CB-CG2 3.77Å |
| 428 | F | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.8 | -87.5 | -133.8 | 0 | 0 | 0 | 112.4 | W13 A17 L424 Q425 K430 L431 L880 P881 T882 | W13-F428 HydrophobicContact CB-CE1 3.98Å; W13-F428 HydrophobicContact CB-CZ 4.3Å; W13-F428 HydrophobicContact CD2-CZ 4.24Å; W13-F428 HydrophobicContact CE3-CE1 4.48Å; W13-F428 HydrophobicContact CE3-CZ 4.1Å; W13-F428 HydrophobicContact CG-CZ 4.36Å; A17-F428 HydrophobicContact CB-CB 4.3Å; A17-F428 HydrophobicContact CB-CD1 3.91Å; A17-F428 HydrophobicContact CB-CD2 3.92Å; A17-F428 HydrophobicContact CB-CE1 4.15Å; A17-F428 HydrophobicContact CB-CE2 4.17Å; A17-F428 HydrophobicContact CB-CG 3.79Å; A17-F428 HydrophobicContact CB-CZ 4.28Å; L424-F428 VanDerWaalsContact O-CD2 3.27Å; L424-F428 WeakPolarHBondContact O-CD2 3.49Å; L424-F428 PolarHBondContact O-N 2.86Å; Q425-F428 PolarHBondContact O-N 2.92Å; Q425-F428 VanDerWaalsContact O-N 3.1Å; F428-K430 PolarHBondContact O-N 3.3Å; F428-L431 HydrophobicContact CB-CD1 4.44Å; F428-L431 HydrophobicContact CG-CD1 4.32Å; F428-L431 VanDerWaalsContact O-CB 3.29Å; F428-L431 WeakPolarHBondContact O-CB 3.41Å; F428-L431 WeakPolarHBondContact O-CG 3.28Å; F428-L431 PolarHBondContact O-N 2.57Å; F428-L431 VanDerWaalsContact O-N 3.12Å; F428-L880 HydrophobicContact CE2-CD2 4.18Å; F428-L880 HydrophobicContact CZ-CD2 4.18Å; F428-P881 HydrophobicContact CD2-CG 4.49Å; F428-P881 HydrophobicContact CE1-CG 4.23Å; F428-P881 HydrophobicContact CE2-CG 3.95Å; F428-P881 HydrophobicContact CZ-CG 3.8Å; F428-T882 HydrophobicContact CD2-CG2 4.34Å |
| 429 | D | 86.5 | Confident | 84.7 | Confident | 93 Ų | 93 | 37.9 Ų | 37.9 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.4 | -25.5 | 179.8 | -67.9 | -24.7 | 0 | 0 | 0 | 112.7 | Q425 L431 | Q425-D429 PolarHBondContact NE2-OD1 3.12Å; Q425-D429 VanDerWaalsContact O-CG 3.25Å; Q425-D429 PolarHBondContact O-N 3.47Å; D429-L431 VanDerWaalsContact C-N 3.32Å |
| 430 | K | 84.4 | Confident | 84.8 | Confident | 114 Ų | 114 | 35.9 Ų | 35.9 | 50% | 0.496 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.6 | 175.3 | -73.4 | 166.2 | -174.2 | 164.3 | 0 | 113.5 | E426 A427 F428 | E426-K430 WeakPolarHBondContact O-CD 3.34Å; E426-K430 VanDerWaalsContact O-CG 3.28Å; E426-K430 WeakPolarHBondContact O-CG 3.33Å; E426-K430 PolarHBondContact O-N 3Å; A427-K430 PolarHBondContact O-N 3.18Å; F428-K430 PolarHBondContact O-N 3.3Å |
| 431 | L | 80.3 | Confident | 84.4 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | trans | -66.5 | 134.6 | -175.4 | -66.7 | 169.7 | 0 | 0 | 0 | 112.5 | F428 D429 P433 V434 P881 T882 | F428-L431 HydrophobicContact CB-CD1 4.44Å; F428-L431 HydrophobicContact CG-CD1 4.32Å; F428-L431 VanDerWaalsContact O-CB 3.29Å; F428-L431 WeakPolarHBondContact O-CB 3.41Å; F428-L431 WeakPolarHBondContact O-CG 3.28Å; F428-L431 PolarHBondContact O-N 2.57Å; F428-L431 VanDerWaalsContact O-N 3.12Å; D429-L431 VanDerWaalsContact C-N 3.32Å; L431-P433 CarbonylContact O-C 3.58Å; L431-V434 PolarHBondContact O-N 3.28Å; L431-P881 HydrophobicContact CD1-CB 3.82Å; L431-P881 HydrophobicContact CD1-CG 3.6Å; L431-P881 HydrophobicContact CD2-CB 4.47Å; L431-T882 HydrophobicContact CD1-CG2 4.38Å; L431-T882 HydrophobicContact CD2-CG2 3.87Å; L431-T882 HydrophobicContact CG-CG2 4.26Å | ||
| 432 | T | 73.8 | Confident | 83.8 | Confident | 121 Ų | 121 | 37.7 Ų | 37.7 | 74% | 0.742 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -129 | 111.5 | 171.8 | 56.5 | 0 | 0 | 0 | 0 | 111 | ||
| 433 | P | 72.6 | Confident | 82.8 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | S | Bend | cis | -70.6 | 156.5 | -3.1 | 31.7 | -35.5 | 0 | 0 | 0 | 112.8 | L431 C863 | L431-P433 CarbonylContact O-C 3.58Å; P433-C863 HydrophobicContact CG-CB 3.93Å |
| 434 | V | 76 | Confident | 81.7 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -63 | 142.1 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | R15 L431 | R15-V434 HydrophobicContact CG-CG1 3.79Å; L431-V434 PolarHBondContact O-N 3.28Å |
| 435 | S | 81.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 144.9 | 174.8 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | W13 G14 | W13-S435 WeakPolarHBondContact O-CB 3.38Å; G14-S435 PolarHBondContact O-OG 2.78Å |
| 436 | S | 80.4 | Confident | 78.8 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | trans | -136.8 | 128.9 | -179 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | W13 Q487 | W13-S436 CarbonylContact O-C 3.58Å; W13-S436 VanDerWaalsContact O-C 3.27Å; W13-S436 PolarHBondContact O-N 3.48Å; S436-Q487 VanDerWaalsContact CB-OE1 3.24Å | ||
| 437 | G | 84.9 | Confident | 77.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | trans | -70.2 | 170.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I439 D440 | G437-I439 PolarHBondContact O-N 3.01Å; G437-D440 PolarHBondContact N-OD2 2.83Å; G437-D440 PolarHBondContact O-N 3.32Å | ||
| 438 | I | 85.9 | Confident | 75.7 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.9 | -171 | -165.5 | 154.2 | 0 | 0 | 0 | 114.8 | L12 L466 H734 | L12-I438 HydrophobicContact CD1-CB 3.82Å; L12-I438 HydrophobicContact CD1-CD1 4.04Å; L12-I438 HydrophobicContact CD1-CG1 3.99Å; I438-L466 HydrophobicContact CD1-CD2 3.71Å; I438-L466 HydrophobicContact CG1-CD2 4.25Å; I438-L466 HydrophobicContact CG2-CD2 3.64Å; I438-H734 VanDerWaalsContact CG2-ND1 3.31Å; I438-H734 WeakPolarHBondContact CG2-ND1 3.46Å |
| 439 | I | 85.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 14.7 | 177 | 62.8 | 171.6 | 0 | 0 | 0 | 114.3 | G437 Q441 L442 S443 V454 C468 V478 | G437-I439 PolarHBondContact O-N 3.01Å; I439-Q441 PolarHBondContact O-N 2.78Å; I439-L442 WeakPolarHBondContact O-CB 3.41Å; I439-L442 PolarHBondContact O-N 3.37Å; I439-S443 PolarHBondContact O-N 3.2Å; I439-S443 PolarHBondContact O-OG 2.6Å; I439-V454 HydrophobicContact CD1-CG2 3.61Å; I439-V454 HydrophobicContact CG1-CG2 3.51Å; I439-C468 HydrophobicContact CD1-CB 3.44Å; I439-C468 VanDerWaalsContact CD1-CB 3.44Å; I439-V478 HydrophobicContact CG2-CG1 3.83Å; I439-V478 HydrophobicContact CG2-CG2 3.94Å |
| 440 | D | 81.2 | Confident | 73.6 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.08 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -46.1 | -174.1 | -81.4 | 3 | 0 | 0 | 0 | 111.8 | R15 G437 L442 S443 V444 P451 | R15-D440 PolarHBondContact N-OD2 2.93Å; G437-D440 PolarHBondContact N-OD2 2.83Å; G437-D440 PolarHBondContact O-N 3.32Å; D440-L442 VanDerWaalsContact C-N 3.26Å; D440-L442 PolarHBondContact O-N 2.98Å; D440-S443 CarbonylContact O-C 3.58Å; D440-S443 WeakPolarHBondContact O-CA 2.96Å; D440-S443 WeakPolarHBondContact O-CB 3.3Å; D440-S443 PolarHBondContact O-N 3.45Å; D440-V444 PolarHBondContact O-N 3.02Å; D440-P451 HydrophobicContact CB-CB 3.99Å; D440-P451 HydrophobicContact CB-CG 4.13Å; D440-P451 WeakPolarHBondContact O-CB 3.23Å |
| 441 | Q | 77.3 | Confident | 73.4 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.5 | 177.7 | -81.6 | 177.7 | 21 | 0 | 0 | 113.6 | I439 S443 Q487 W499 | I439-Q441 PolarHBondContact O-N 2.78Å; Q441-S443 VanDerWaalsContact C-N 3.27Å; Q441-Q487 VanDerWaalsContact NE2-OE1 3.15Å; Q441-Q487 VanDerWaalsContact OE1-NE2 3.14Å; Q441-W499 HydrophobicContact CB-CH2 4.19Å; Q441-W499 HydrophobicContact CB-CZ2 3.35Å |
| 442 | L | 77.5 | Confident | 73.7 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -22.2 | 170.8 | -178.1 | 62.7 | 0 | 0 | 0 | 111.9 | I439 D440 V476 W499 | I439-L442 WeakPolarHBondContact O-CB 3.41Å; I439-L442 PolarHBondContact O-N 3.37Å; D440-L442 VanDerWaalsContact C-N 3.26Å; D440-L442 PolarHBondContact O-N 2.98Å; L442-V476 HydrophobicContact CD2-CG1 4.02Å; L442-W499 HydrophobicContact CB-CD2 3.87Å; L442-W499 HydrophobicContact CB-CE3 3.75Å; L442-W499 HydrophobicContact CB-CH2 3.92Å; L442-W499 HydrophobicContact CB-CZ2 4.07Å; L442-W499 HydrophobicContact CB-CZ3 3.74Å; L442-W499 HydrophobicContact CD1-CB 4.42Å; L442-W499 HydrophobicContact CD1-CD2 4.05Å; L442-W499 HydrophobicContact CD1-CE3 4.25Å; L442-W499 HydrophobicContact CD1-CG 4.08Å; L442-W499 HydrophobicContact CD2-CE3 4.1Å; L442-W499 HydrophobicContact CD2-CZ3 4.38Å; L442-W499 HydrophobicContact CG-CD2 4.41Å; L442-W499 HydrophobicContact CG-CE3 4.24Å |
| 443 | S | 69.6 | Low | 74.4 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -94.3 | -2.3 | -172.5 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | I439 D440 Q441 L445 I452 R470 | I439-S443 PolarHBondContact O-N 3.2Å; I439-S443 PolarHBondContact O-OG 2.6Å; D440-S443 CarbonylContact O-C 3.58Å; D440-S443 WeakPolarHBondContact O-CA 2.96Å; D440-S443 WeakPolarHBondContact O-CB 3.3Å; D440-S443 PolarHBondContact O-N 3.45Å; Q441-S443 VanDerWaalsContact C-N 3.27Å; S443-L445 PolarHBondContact O-N 3.24Å; S443-I452 PolarHBondContact O-N 2.83Å; S443-R470 PolarHBondContact OG-NH2 2.88Å |
| 444 | V | 68.1 | Low | 75.3 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -76.9 | 104.7 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | D440 P451 | D440-V444 PolarHBondContact O-N 3.02Å; V444-P451 HydrophobicContact CG2-CB 4.23Å | ||
| 445 | L | 63.3 | Low | 76.1 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 45% | 0.45 | 30% | 0.3 | S | S | . | . | trans | -76.1 | 147.4 | 171.9 | -69.1 | 170.2 | 0 | 0 | 0 | 109.9 | S443 N447 K448 I452 | S443-L445 PolarHBondContact O-N 3.24Å; L445-N447 PolarHBondContact O-N 2.92Å; L445-K448 HydrophobicContact CB-CB 4.47Å; L445-K448 PolarHBondContact O-N 2.97Å; L445-I452 HydrophobicContact CD1-CD1 4.19Å; L445-I452 HydrophobicContact CG-CD1 4.5Å | ||
| 446 | P | 57.5 | Low | 76.6 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 83% | 0.831 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -18.8 | -178.1 | -25.8 | 32.7 | 0 | 0 | 0 | 115.6 | ||
| 447 | N | 56.1 | Low | 77.2 | Confident | 161 Ų | 161 | 55.5 Ų | 55.5 | 86% | 0.861 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 1.9 | -176.7 | -64.9 | -0.3 | 0 | 0 | 0 | 114.3 | L445 | L445-N447 PolarHBondContact O-N 2.92Š|
| 448 | K | 58.6 | Low | 77.7 | Confident | 133 Ų | 133 | 56.7 Ų | 56.7 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | trans | -122.1 | 127.4 | 177.5 | -73.3 | -169.8 | 176.6 | -174.9 | 0 | 110.2 | L445 L450 | L445-K448 HydrophobicContact CB-CB 4.47Å; L445-K448 PolarHBondContact O-N 2.97Å; K448-L450 VanDerWaalsContact C-N 3.29Å; K448-L450 PolarHBondContact O-N 3.27Å | ||
| 449 | Q | 60.7 | Low | 78 | Confident | 179 Ų | 179 | 57.5 Ų | 57.5 | 84% | 0.836 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.6 | -17.4 | -179.9 | -70.1 | -176.8 | -10.4 | 0 | 0 | 114 | R15 | R15-Q449 PolarHBondContact NH1-O 3.02Š|
| 450 | L | 70.4 | Confident | 78.3 | Confident | 114 Ų | 114 | 57.5 Ų | 57.5 | 60% | 0.597 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -110.9 | 138 | -178.6 | -74.3 | 161 | 0 | 0 | 0 | 110.9 | K448 | K448-L450 VanDerWaalsContact C-N 3.29Å; K448-L450 PolarHBondContact O-N 3.27Å |
| 451 | P | 80.9 | Confident | 78.4 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 149.7 | 175.1 | 30.4 | -34.7 | 0 | 0 | 0 | 110.8 | D440 V444 K453 | D440-P451 HydrophobicContact CB-CB 3.99Å; D440-P451 HydrophobicContact CB-CG 4.13Å; D440-P451 WeakPolarHBondContact O-CB 3.23Å; V444-P451 HydrophobicContact CG2-CB 4.23Å; P451-K453 PolarHBondContact O-N 3.39Å |
| 452 | I | 86.4 | Confident | 78.5 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 127.5 | 172.2 | -54.6 | 167.8 | 0 | 0 | 0 | 108.9 | S443 L445 R470 E471 D472 | S443-I452 PolarHBondContact O-N 2.83Å; L445-I452 HydrophobicContact CD1-CD1 4.19Å; L445-I452 HydrophobicContact CG-CD1 4.5Å; I452-R470 HydrophobicContact CG2-CB 3.95Å; I452-E471 HydrophobicContact CG2-CB 4.12Å; I452-D472 HydrophobicContact CD1-CB 4.42Å; I452-D472 HydrophobicContact CG2-CB 4.19Å |
| 453 | K | 88.4 | Confident | 78.8 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 37% | 0.365 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 141 | -177 | -66.9 | 179 | -178.3 | -177.6 | 0 | 112 | P451 R470 E471 P731 | P451-K453 PolarHBondContact O-N 3.39Å; K453-R470 WeakPolarHBondContact O-CA 3.37Å; K453-E471 HydrophobicContact CB-CB 4.35Å; K453-E471 PolarHBondContact O-N 3.29Å; K453-P731 HydrophobicContact CB-CB 4.24Å |
| 454 | V | 91.5 | Very high | 79.6 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.8 | 169.2 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | I439 S457 C468 P731 D732 | I439-V454 HydrophobicContact CD1-CG2 3.61Å; I439-V454 HydrophobicContact CG1-CG2 3.51Å; V454-S457 VanDerWaalsContact CG1-OG 3.24Å; V454-S457 WeakPolarHBondContact CG1-OG 3.24Å; V454-C468 HydrophobicContact CG1-CB 3.83Å; V454-P731 CarbonylContact O-C 3.5Å; V454-P731 VanDerWaalsContact O-CA 3.23Å; V454-P731 WeakPolarHBondContact O-CA 3.41Å; V454-P731 VanDerWaalsContact O-CB 3.3Å; V454-P731 WeakPolarHBondContact O-CB 3.48Å; V454-D732 HydrophobicContact CG1-CB 4.21Å; V454-D732 PolarHBondContact O-N 3.18Å |
| 455 | T | 91.3 | Very high | 80.7 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -18.3 | -168.3 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | G469 E471 K511 V512 K725 | T455-G469 PolarHBondContact N-O 3.02Å; T455-G469 PolarHBondContact OG1-O 2.8Å; T455-E471 HydrophobicContact CG2-CB 4.14Å; T455-K511 HydrophobicContact CG2-CD 3.86Å; T455-K511 VanDerWaalsContact CG2-CE 3.41Å; T455-K511 HydrophobicContact CG2-CG 3.92Å; T455-V512 VanDerWaalsContact CB-O 3.28Å; T455-V512 WeakPolarHBondContact CB-O 3.33Å; T455-V512 PolarHBondContact OG1-O 3.21Å; T455-K725 WeakPolarHBondContact O-CE 3.49Å; T455-K725 PolarHBondContact O-NZ 3.46Å |
| 456 | A | 92.4 | Very high | 82.1 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | C468 G469 V515 D732 | A456-C468 CarbonylContact O-C 3.6Å; A456-C468 WeakPolarHBondContact O-CA 3.31Å; A456-G469 PolarHBondContact N-O 2.79Å; A456-G469 PolarHBondContact O-N 2.79Å; A456-V515 HydrophobicContact CB-CG2 4.06Å; A456-D732 WeakPolarHBondContact CA-OD2 3.48Å; A456-D732 PolarHBondContact N-OD2 2.8Å |
| 457 | S | 94.3 | Very high | 83.9 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.6 | 178.1 | -42.7 | 0 | 0 | 0 | 0 | 112.7 | V454 V467 D732 H734 | V454-S457 VanDerWaalsContact CG1-OG 3.24Å; V454-S457 WeakPolarHBondContact CG1-OG 3.24Å; S457-V467 CarbonylContact C-O 3.57Å; S457-V467 WeakPolarHBondContact CA-O 3.33Å; S457-D732 WeakPolarHBondContact CB-OD2 3.46Å; S457-D732 PolarHBondContact N-OD2 3.2Å; S457-D732 PolarHBondContact OG-OD2 2.98Å; S457-H734 PolarHBondContact OG-NE2 3.21Å |
| 458 | V | 94.1 | Very high | 85.8 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 109.4 | V467 V515 | V458-V467 PolarHBondContact N-O 2.78Å; V458-V467 PolarHBondContact O-N 3.28Å; V458-V515 HydrophobicContact CB-CG1 4.44Å; V458-V515 HydrophobicContact CG2-CB 4.19Å; V458-V515 HydrophobicContact CG2-CG1 4.22Å; V458-V515 WeakPolarHBondContact CG2-O 3.47Å |
| 459 | Y | 93.4 | Very high | 87.5 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.9 | 174 | 177.8 | -113.6 | 0 | 0 | 0 | 110.8 | P461 R465 A480 Q520 L719 V720 V721 | Y459-P461 HydrophobicContact CD1-CB 4.38Å; Y459-P461 HydrophobicContact CD1-CG 3.78Å; Y459-P461 HydrophobicContact CE1-CB 3.79Å; Y459-P461 HydrophobicContact CE1-CG 3.7Å; Y459-P461 WeakPolarHBondContact O-CD 3.31Å; Y459-R465 VanDerWaalsContact CD2-O 3.31Å; Y459-R465 WeakPolarHBondContact CD2-O 3.34Å; Y459-A480 HydrophobicContact CD2-CB 4.05Å; Y459-A480 HydrophobicContact CE2-CB 3.69Å; Y459-Q520 PolarHBondContact O-NE2 3.01Å; Y459-Q520 PolarHBondContact O-OE1 2.87Å; Y459-L719 WeakPolarHBondContact CE1-O 3.46Å; Y459-L719 PolarHBondContact OH-O 3.01Å; Y459-V720 HydrophobicContact CD1-CG1 4.42Å; Y459-V721 WeakPolarHBondContact CB-O 3.05Å; Y459-V721 HydrophobicContact CD1-CB 4.34Å; Y459-V721 VanDerWaalsContact CD1-N 3.34Å; Y459-V721 HydrophobicContact CD2-CB 3.89Å; Y459-V721 HydrophobicContact CD2-CG2 3.97Å; Y459-V721 HydrophobicContact CE2-CB 4.46Å; Y459-V721 HydrophobicContact CE2-CG2 4.06Å; Y459-V721 HydrophobicContact CG-CB 3.82Å; Y459-V721 HydrophobicContact CG-CG2 4.3Å |
| 460 | I | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 95.9 | -179.5 | -56.9 | 175.2 | 0 | 0 | 0 | 107.9 | S462 Q463 G464 R465 V467 Y517 I544 | I460-S462 PolarHBondContact O-N 2.74Å; I460-Q463 HydrophobicContact CG2-CB 4.1Å; I460-Q463 HydrophobicContact CG2-CG 3.99Å; I460-Q463 PolarHBondContact O-N 2.85Å; I460-G464 PolarHBondContact O-N 3.26Å; I460-R465 PolarHBondContact N-O 3.21Å; I460-R465 PolarHBondContact O-N 3.48Å; I460-V467 HydrophobicContact CD1-CG2 3.88Å; I460-V467 HydrophobicContact CG1-CG2 4.5Å; I460-Y517 HydrophobicContact CB-CD1 4.46Å; I460-Y517 HydrophobicContact CD1-CD1 3.96Å; I460-Y517 HydrophobicContact CD1-CD2 4.1Å; I460-Y517 HydrophobicContact CD1-CE1 4.28Å; I460-Y517 HydrophobicContact CD1-CE2 4.39Å; I460-Y517 HydrophobicContact CD1-CG 3.88Å; I460-Y517 HydrophobicContact CG1-CD1 3.76Å; I460-Y517 HydrophobicContact CG1-CE1 4.25Å; I460-Y517 HydrophobicContact CG1-CG 4.06Å; I460-Y517 HydrophobicContact CG2-CD1 4.03Å; I460-Y517 HydrophobicContact CG2-CE1 3.68Å; I460-I544 HydrophobicContact CD1-CD1 3.16Å |
| 461 | P | 83.7 | Confident | 90 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 13% | 0.13 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -63.2 | -38.7 | -171.8 | -21.7 | 31.6 | 0 | 0 | 0 | 113.4 | Y459 Q463 G464 N717 | Y459-P461 HydrophobicContact CD1-CB 4.38Å; Y459-P461 HydrophobicContact CD1-CG 3.78Å; Y459-P461 HydrophobicContact CE1-CB 3.79Å; Y459-P461 HydrophobicContact CE1-CG 3.7Å; Y459-P461 WeakPolarHBondContact O-CD 3.31Å; P461-Q463 PolarHBondContact O-N 2.86Å; P461-G464 PolarHBondContact O-N 2.87Å; P461-G464 VanDerWaalsContact O-N 3.13Å; P461-N717 HydrophobicContact CB-CB 4.22Å; P461-N717 VanDerWaalsContact CB-ND2 3.27Å; P461-N717 WeakPolarHBondContact CB-ND2 3.28Å; P461-N717 WeakPolarHBondContact CB-OD1 3.28Å |
| 462 | S | 79.8 | Confident | 90.5 | Very high | 94 Ų | 94 | 28.8 Ų | 28.8 | 66% | 0.657 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -61.4 | -19.4 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | I460 | I460-S462 PolarHBondContact O-N 2.74Š|
| 463 | Q | 83.1 | Confident | 90.8 | Very high | 46 Ų | 46 | 27.9 Ų | 27.9 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -114.9 | -7.1 | 179 | -59.3 | -177.2 | 6.4 | 0 | 0 | 112.9 | I460 P461 R465 F545 | I460-Q463 HydrophobicContact CG2-CB 4.1Å; I460-Q463 HydrophobicContact CG2-CG 3.99Å; I460-Q463 PolarHBondContact O-N 2.85Å; P461-Q463 PolarHBondContact O-N 2.86Å; Q463-R465 HydrophobicContact CB-CB 4.3Å; Q463-R465 HydrophobicContact CB-CG 4.11Å; Q463-R465 PolarHBondContact O-N 3.31Å; Q463-F545 VanDerWaalsContact NE2-CZ 3.34Å |
| 464 | G | 86.7 | Confident | 91.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 26.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | I460 P461 A480 | I460-G464 PolarHBondContact O-N 3.26Å; P461-G464 PolarHBondContact O-N 2.87Å; P461-G464 VanDerWaalsContact O-N 3.13Å; G464-A480 PolarHBondContact O-N 3.46Å |
| 465 | R | 90.6 | Very high | 91.2 | Very high | 82 Ų | 82 | 23.7 Ų | 23.7 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.9 | -174.1 | -70.8 | -177.5 | -176.2 | -149.9 | 0.3 | 111.8 | Y459 I460 Q463 V478 | Y459-R465 VanDerWaalsContact CD2-O 3.31Å; Y459-R465 WeakPolarHBondContact CD2-O 3.34Å; I460-R465 PolarHBondContact N-O 3.21Å; I460-R465 PolarHBondContact O-N 3.48Å; Q463-R465 HydrophobicContact CB-CB 4.3Å; Q463-R465 HydrophobicContact CB-CG 4.11Å; Q463-R465 PolarHBondContact O-N 3.31Å; R465-V478 CarbonylContact C-O 3.28Å; R465-V478 WeakPolarHBondContact CA-O 3.44Å |
| 466 | L | 93.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.8 | 170.5 | -175.7 | 69 | 0 | 0 | 0 | 109.3 | I438 C468 L477 V478 A480 V721 | I438-L466 HydrophobicContact CD1-CD2 3.71Å; I438-L466 HydrophobicContact CG1-CD2 4.25Å; I438-L466 HydrophobicContact CG2-CD2 3.64Å; L466-C468 VanDerWaalsContact CD2-SG 3.54Å; L466-L477 WeakPolarHBondContact O-CA 3.49Å; L466-V478 HydrophobicContact CB-CG2 4Å; L466-V478 PolarHBondContact N-O 2.87Å; L466-V478 PolarHBondContact O-N 3.44Å; L466-A480 HydrophobicContact CB-CB 4.1Å; L466-V721 HydrophobicContact CD1-CG1 4.23Å; L466-V721 HydrophobicContact CD2-CG1 4.42Å |
| 467 | V | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.6 | 173.7 | -173 | 0 | 0 | 0 | 0 | 107.7 | S457 V458 I460 I475 L477 V515 L530 | S457-V467 CarbonylContact C-O 3.57Å; S457-V467 WeakPolarHBondContact CA-O 3.33Å; V458-V467 PolarHBondContact N-O 2.78Å; V458-V467 PolarHBondContact O-N 3.28Å; I460-V467 HydrophobicContact CD1-CG2 3.88Å; I460-V467 HydrophobicContact CG1-CG2 4.5Å; V467-I475 HydrophobicContact CG1-CG2 3.45Å; V467-I475 VanDerWaalsContact CG1-CG2 3.45Å; V467-L477 HydrophobicContact CG1-CD1 4.44Å; V467-L477 HydrophobicContact CG1-CG 4.31Å; V467-L477 HydrophobicContact CG2-CD2 4.35Å; V467-L477 HydrophobicContact CG2-CG 4.12Å; V467-V515 HydrophobicContact CG1-CG1 3.98Å; V467-L530 HydrophobicContact CG1-CD1 4.34Å; V467-L530 HydrophobicContact CG1-CD2 3.87Å; V467-L530 HydrophobicContact CG2-CD1 4.43Å |
| 468 | C | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113.2 | -178.3 | -68.7 | 0 | 0 | 0 | 0 | 110.7 | I439 V454 A456 L466 I475 V476 | I439-C468 HydrophobicContact CD1-CB 3.44Å; I439-C468 VanDerWaalsContact CD1-CB 3.44Å; V454-C468 HydrophobicContact CG1-CB 3.83Å; A456-C468 CarbonylContact O-C 3.6Å; A456-C468 WeakPolarHBondContact O-CA 3.31Å; L466-C468 VanDerWaalsContact CD2-SG 3.54Å; C468-I475 CarbonylContact O-C 3.58Å; C468-I475 WeakPolarHBondContact O-CA 3.43Å; C468-V476 PolarHBondContact N-O 3.15Å; C468-V476 PolarHBondContact O-N 2.95Å |
| 469 | G | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T455 A456 | T455-G469 PolarHBondContact N-O 3.02Å; T455-G469 PolarHBondContact OG1-O 2.8Å; A456-G469 PolarHBondContact N-O 2.79Å; A456-G469 PolarHBondContact O-N 2.79Å |
| 470 | R | 93.4 | Very high | 91 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 163.1 | -175.2 | -65.4 | 179.6 | 176.6 | 178.3 | -4.9 | 112.2 | S443 I452 K453 D472 G473 S474 V512 | S443-R470 PolarHBondContact OG-NH2 2.88Å; I452-R470 HydrophobicContact CG2-CB 3.95Å; K453-R470 WeakPolarHBondContact O-CA 3.37Å; R470-D472 VanDerWaalsContact CB-OD1 3.28Å; R470-D472 WeakPolarHBondContact CB-OD1 3.42Å; R470-D472 PolarHBondContact O-N 3.38Å; R470-G473 PolarHBondContact O-N 3.47Å; R470-S474 WeakPolarHBondContact CB-O 3.4Å; R470-S474 WeakPolarHBondContact CD-OG 3.42Å; R470-S474 PolarHBondContact N-O 2.83Å; R470-V512 PolarHBondContact O-N 3.42Å; R470-V512 VanDerWaalsContact O-N 3.12Å |
| 471 | E | 91.7 | Very high | 91 | Very high | 93 Ų | 93 | 21.6 Ų | 21.6 | 44% | 0.435 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.2 | 176.2 | -173.7 | 173.2 | -154.1 | 0 | 0 | 113.8 | I452 K453 T455 G473 K511 | I452-E471 HydrophobicContact CG2-CB 4.12Å; K453-E471 HydrophobicContact CB-CB 4.35Å; K453-E471 PolarHBondContact O-N 3.29Å; T455-E471 HydrophobicContact CG2-CB 4.14Å; E471-G473 VanDerWaalsContact C-N 3.27Å; E471-G473 PolarHBondContact O-N 2.74Å; E471-K511 WeakPolarHBondContact O-CA 3.48Å; E471-K511 PolarHBondContact O-N 2.81Å |
| 472 | D | 91.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 22 Ų | 22 | 35% | 0.348 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.9 | 177.9 | 76.2 | -24.7 | 0 | 0 | 0 | 114.1 | I452 R470 S474 | I452-D472 HydrophobicContact CD1-CB 4.42Å; I452-D472 HydrophobicContact CG2-CB 4.19Å; R470-D472 VanDerWaalsContact CB-OD1 3.28Å; R470-D472 WeakPolarHBondContact CB-OD1 3.42Å; R470-D472 PolarHBondContact O-N 3.38Å; D472-S474 VanDerWaalsContact C-N 3.3Å; D472-S474 VanDerWaalsContact CG-OG 3.3Å; D472-S474 PolarHBondContact O-N 2.95Å; D472-S474 WeakPolarHBondContact OD1-CB 3.29Å; D472-S474 PolarHBondContact OD1-N 2.64Å; D472-S474 PolarHBondContact OD1-OG 3.28Å; D472-S474 PolarHBondContact OD2-OG 3.47Å |
| 473 | G | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 82.7 | -1.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R470 E471 H508 N510 | R470-G473 PolarHBondContact O-N 3.47Å; E471-G473 VanDerWaalsContact C-N 3.27Å; E471-G473 PolarHBondContact O-N 2.74Å; G473-H508 WeakPolarHBondContact O-CB 3.36Å; G473-N510 WeakPolarHBondContact CA-O 3.34Å |
| 474 | S | 93.5 | Very high | 92 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.3 | 172.5 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | R470 D472 | R470-S474 WeakPolarHBondContact CB-O 3.4Å; R470-S474 WeakPolarHBondContact CD-OG 3.42Å; R470-S474 PolarHBondContact N-O 2.83Å; D472-S474 VanDerWaalsContact C-N 3.3Å; D472-S474 VanDerWaalsContact CG-OG 3.3Å; D472-S474 PolarHBondContact O-N 2.95Å; D472-S474 WeakPolarHBondContact OD1-CB 3.29Å; D472-S474 PolarHBondContact OD1-N 2.64Å; D472-S474 PolarHBondContact OD1-OG 3.28Å; D472-S474 PolarHBondContact OD2-OG 3.47Å |
| 475 | I | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.6 | 173 | -58.4 | 171.4 | 0 | 0 | 0 | 107.7 | V467 C468 L477 T504 L505 V512 S532 W542 | V467-I475 HydrophobicContact CG1-CG2 3.45Å; V467-I475 VanDerWaalsContact CG1-CG2 3.45Å; C468-I475 CarbonylContact O-C 3.58Å; C468-I475 WeakPolarHBondContact O-CA 3.43Å; I475-L477 HydrophobicContact CG2-CD1 4.31Å; I475-T504 CarbonylContact O-C 3.57Å; I475-T504 WeakPolarHBondContact O-CA 3.41Å; I475-L505 HydrophobicContact CB-CB 4.16Å; I475-L505 HydrophobicContact CB-CD1 4.41Å; I475-L505 HydrophobicContact CB-CG 4.46Å; I475-L505 HydrophobicContact CG2-CD1 4.33Å; I475-L505 PolarHBondContact N-O 2.81Å; I475-L505 PolarHBondContact O-N 3.07Å; I475-V512 HydrophobicContact CD1-CG1 4.39Å; I475-V512 HydrophobicContact CD1-CG2 4.46Å; I475-V512 HydrophobicContact CG1-CG1 4.36Å; I475-V512 HydrophobicContact CG1-CG2 3.92Å; I475-S532 WeakPolarHBondContact CD1-OG 3.47Å; I475-W542 HydrophobicContact CD1-CZ2 4.24Å |
| 476 | V | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | L442 C468 V478 H502 R503 T504 | L442-V476 HydrophobicContact CD2-CG1 4.02Å; C468-V476 PolarHBondContact N-O 3.15Å; C468-V476 PolarHBondContact O-N 2.95Å; V476-V478 HydrophobicContact CG1-CG1 3.76Å; V476-H502 HydrophobicContact CG1-CB 4.31Å; V476-R503 CarbonylContact C-O 3.6Å; V476-R503 WeakPolarHBondContact CA-O 3.43Å; V476-T504 HydrophobicContact CG2-CG2 4.06Å |
| 477 | L | 93.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.9 | 177 | -69.4 | 81.4 | 0 | 0 | 0 | 108.7 | L466 V467 I475 H502 R503 L505 I544 | L466-L477 WeakPolarHBondContact O-CA 3.49Å; V467-L477 HydrophobicContact CG1-CD1 4.44Å; V467-L477 HydrophobicContact CG1-CG 4.31Å; V467-L477 HydrophobicContact CG2-CD2 4.35Å; V467-L477 HydrophobicContact CG2-CG 4.12Å; I475-L477 HydrophobicContact CG2-CD1 4.31Å; L477-H502 VanDerWaalsContact O-CA 3.26Å; L477-H502 WeakPolarHBondContact O-CA 3.29Å; L477-H502 WeakPolarHBondContact O-CB 3.41Å; L477-R503 PolarHBondContact N-O 3.35Å; L477-R503 PolarHBondContact O-N 2.72Å; L477-L505 HydrophobicContact CD1-CD1 3.64Å; L477-L505 HydrophobicContact CD1-CD2 4.1Å; L477-L505 HydrophobicContact CD1-CG 3.59Å; L477-I544 HydrophobicContact CD2-CD1 4.11Å; L477-I544 HydrophobicContact CD2-CG1 3.44Å; L477-I544 VanDerWaalsContact CD2-CG1 3.44Å |
| 478 | V | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.5 | -178.4 | -59.4 | 0 | 0 | 0 | 0 | 112 | I439 R465 L466 V476 A480 T483 H502 | I439-V478 HydrophobicContact CG2-CG1 3.83Å; I439-V478 HydrophobicContact CG2-CG2 3.94Å; R465-V478 CarbonylContact C-O 3.28Å; R465-V478 WeakPolarHBondContact CA-O 3.44Å; L466-V478 HydrophobicContact CB-CG2 4Å; L466-V478 PolarHBondContact N-O 2.87Å; L466-V478 PolarHBondContact O-N 3.44Å; V476-V478 HydrophobicContact CG1-CG1 3.76Å; V478-A480 PolarHBondContact O-N 3.19Å; V478-T483 HydrophobicContact CB-CG2 3.67Å; V478-T483 HydrophobicContact CG1-CG2 4.15Å; V478-T483 HydrophobicContact CG2-CG2 3.95Å; V478-H502 HydrophobicContact CG1-CB 3.82Å |
| 479 | P | 90.4 | Very high | 90.6 | Very high | 27 Ų | 27 | 13.7 Ų | 13.7 | 18% | 0.175 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117.1 | 164 | -14.7 | 28.7 | 0 | 0 | 0 | 109.5 | Q482 T483 P501 | P479-Q482 HydrophobicContact CB-CB 4.25Å; P479-Q482 HydrophobicContact CB-CG 4.36Å; P479-T483 WeakPolarHBondContact O-CG2 3.36Å; P479-T483 PolarHBondContact O-N 2.89Å; P479-T483 VanDerWaalsContact O-N 3.09Å; P479-T483 PolarHBondContact O-OG1 2.69Å; P479-P501 VanDerWaalsContact CD-O 3.27Å; P479-P501 WeakPolarHBondContact CD-O 3.31Å |
| 480 | A | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y459 G464 L466 V478 Q482 T483 A484 V721 | Y459-A480 HydrophobicContact CD2-CB 4.05Å; Y459-A480 HydrophobicContact CE2-CB 3.69Å; G464-A480 PolarHBondContact O-N 3.46Å; L466-A480 HydrophobicContact CB-CB 4.1Å; V478-A480 PolarHBondContact O-N 3.19Å; A480-Q482 PolarHBondContact O-N 3.16Å; A480-T483 PolarHBondContact O-N 2.92Å; A480-T483 PolarHBondContact O-OG1 2.91Å; A480-A484 WeakPolarHBondContact O-CB 3.48Å; A480-A484 PolarHBondContact O-N 3.45Å; A480-V721 HydrophobicContact CB-CG2 3.97Å |
| 481 | T | 90.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | -178.9 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | A484 I485 L719 L827 D830 T831 L834 | T481-A484 PolarHBondContact O-N 2.84Å; T481-I485 HydrophobicContact CG2-CD1 4.41Å; T481-I485 WeakPolarHBondContact O-CG1 3.25Å; T481-I485 PolarHBondContact O-N 2.69Å; T481-L719 WeakPolarHBondContact OG1-CD2 3.28Å; T481-L827 WeakPolarHBondContact OG1-CD1 3.35Å; T481-D830 HydrophobicContact CG2-CB 3.89Å; T481-D830 WeakPolarHBondContact CG2-O 3.25Å; T481-T831 PolarHBondContact OG1-OG1 3.39Å; T481-L834 HydrophobicContact CG2-CB 4.27Å; T481-L834 HydrophobicContact CG2-CD2 3.98Å |
| 482 | Q | 87.4 | Confident | 86.5 | Confident | 28 Ų | 28 | 18.4 Ų | 18.4 | 13% | 0.131 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.1 | -37.2 | -177.9 | -62.7 | -177.9 | -7.5 | 0 | 0 | 112.4 | P479 A480 I485 V486 P500 Y825 D830 | P479-Q482 HydrophobicContact CB-CB 4.25Å; P479-Q482 HydrophobicContact CB-CG 4.36Å; A480-Q482 PolarHBondContact O-N 3.16Å; Q482-I485 WeakPolarHBondContact O-CB 3.35Å; Q482-I485 PolarHBondContact O-N 3.22Å; Q482-V486 WeakPolarHBondContact O-CG2 3.41Å; Q482-V486 PolarHBondContact O-N 2.93Å; Q482-V486 VanDerWaalsContact O-N 3.07Å; Q482-P500 HydrophobicContact CB-CB 4.1Å; Q482-P500 HydrophobicContact CB-CG 3.93Å; Q482-Y825 VanDerWaalsContact NE2-CD1 3.31Å; Q482-Y825 VanDerWaalsContact NE2-CG 3.34Å; Q482-D830 PolarHBondContact NE2-OD2 3.41Å |
| 483 | T | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | V478 P479 A480 I485 V486 Q487 W499 P500 | V478-T483 HydrophobicContact CB-CG2 3.67Å; V478-T483 HydrophobicContact CG1-CG2 4.15Å; V478-T483 HydrophobicContact CG2-CG2 3.95Å; P479-T483 WeakPolarHBondContact O-CG2 3.36Å; P479-T483 PolarHBondContact O-N 2.89Å; P479-T483 VanDerWaalsContact O-N 3.09Å; P479-T483 PolarHBondContact O-OG1 2.69Å; A480-T483 PolarHBondContact O-N 2.92Å; A480-T483 PolarHBondContact O-OG1 2.91Å; T483-I485 VanDerWaalsContact C-N 3.33Å; T483-I485 PolarHBondContact O-N 2.89Å; T483-V486 PolarHBondContact O-N 3.08Å; T483-V486 VanDerWaalsContact O-N 3.14Å; T483-Q487 WeakPolarHBondContact O-CG 3.39Å; T483-Q487 PolarHBondContact O-N 3.42Å; T483-W499 HydrophobicContact CG2-CE3 4.26Å; T483-W499 HydrophobicContact CG2-CZ3 3.83Å; T483-P500 HydrophobicContact CG2-CB 4.47Å; T483-P500 HydrophobicContact CG2-CG 4.09Å |
| 484 | A | 90.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 A480 T481 V486 Q487 L488 L736 L834 | L12-A484 HydrophobicContact CD1-CB 4.47Å; A480-A484 WeakPolarHBondContact O-CB 3.48Å; A480-A484 PolarHBondContact O-N 3.45Å; T481-A484 PolarHBondContact O-N 2.84Å; A484-V486 VanDerWaalsContact C-N 3.34Å; A484-V486 PolarHBondContact O-N 3.34Å; A484-Q487 PolarHBondContact O-N 2.83Å; A484-L488 WeakPolarHBondContact O-CB 3.5Å; A484-L488 WeakPolarHBondContact O-CG 3.39Å; A484-L488 PolarHBondContact O-N 3.36Å; A484-L736 HydrophobicContact CB-CD2 3.67Å; A484-L834 HydrophobicContact CB-CD1 4.42Å; A484-L834 HydrophobicContact CB-CD2 3.7Å |
| 485 | I | 88.1 | Confident | 80.5 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 172.3 | -71.9 | 169.5 | 0 | 0 | 0 | 110.9 | T481 Q482 T483 Q487 L488 L489 L834 L859 | T481-I485 HydrophobicContact CG2-CD1 4.41Å; T481-I485 WeakPolarHBondContact O-CG1 3.25Å; T481-I485 PolarHBondContact O-N 2.69Å; Q482-I485 WeakPolarHBondContact O-CB 3.35Å; Q482-I485 PolarHBondContact O-N 3.22Å; T483-I485 VanDerWaalsContact C-N 3.33Å; T483-I485 PolarHBondContact O-N 2.89Å; I485-Q487 VanDerWaalsContact C-N 3.34Å; I485-Q487 PolarHBondContact O-N 2.81Å; I485-L488 PolarHBondContact O-N 3.07Å; I485-L489 HydrophobicContact CG1-CD1 4.22Å; I485-L489 HydrophobicContact CG2-CB 4.41Å; I485-L489 HydrophobicContact CG2-CD1 4.33Å; I485-L489 WeakPolarHBondContact O-CA 3.42Å; I485-L489 WeakPolarHBondContact O-CB 3.41Å; I485-L489 PolarHBondContact O-N 2.77Å; I485-L834 HydrophobicContact CD1-CB 4.26Å; I485-L834 HydrophobicContact CG1-CB 3.86Å; I485-L834 HydrophobicContact CG1-CD1 3.86Å; I485-L834 HydrophobicContact CG1-CD2 4.48Å; I485-L834 HydrophobicContact CG1-CG 4.27Å; I485-L859 HydrophobicContact CG2-CD1 3.61Å |
| 486 | V | 85.8 | Confident | 78.1 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 179 | 171.5 | 0 | 0 | 0 | 0 | 112 | Q482 T483 A484 W499 P500 | Q482-V486 WeakPolarHBondContact O-CG2 3.41Å; Q482-V486 PolarHBondContact O-N 2.93Å; Q482-V486 VanDerWaalsContact O-N 3.07Å; T483-V486 PolarHBondContact O-N 3.08Å; T483-V486 VanDerWaalsContact O-N 3.14Å; A484-V486 VanDerWaalsContact C-N 3.34Å; A484-V486 PolarHBondContact O-N 3.34Å; V486-W499 HydrophobicContact CG1-CZ2 4.25Å; V486-P500 HydrophobicContact CG2-CG 4.06Å |
| 487 | Q | 85.7 | Confident | 76.1 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.2 | -31.9 | 178.5 | -69.2 | -45.5 | -58.7 | 0 | 0 | 113.8 | L12 S436 Q441 T483 A484 I485 H862 | L12-Q487 HydrophobicContact CD2-CB 4.34Å; S436-Q487 VanDerWaalsContact CB-OE1 3.24Å; Q441-Q487 VanDerWaalsContact NE2-OE1 3.15Å; Q441-Q487 VanDerWaalsContact OE1-NE2 3.14Å; T483-Q487 WeakPolarHBondContact O-CG 3.39Å; T483-Q487 PolarHBondContact O-N 3.42Å; A484-Q487 PolarHBondContact O-N 2.83Å; I485-Q487 VanDerWaalsContact C-N 3.34Å; I485-Q487 PolarHBondContact O-N 2.81Å; Q487-H862 PolarHBondContact O-CE1 3.11Å |
| 488 | L | 86.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -104.1 | -33.2 | -172.5 | -65.7 | 176.9 | 0 | 0 | 0 | 113.6 | I10 L12 A484 I485 L834 P861 H862 I865 | I10-L488 HydrophobicContact CG2-CD1 4.14Å; L12-L488 HydrophobicContact CD2-CD1 4.02Å; L12-L488 HydrophobicContact CD2-CD2 3.42Å; L12-L488 VanDerWaalsContact CD2-CD2 3.42Å; L12-L488 HydrophobicContact CD2-CG 3.72Å; A484-L488 WeakPolarHBondContact O-CB 3.5Å; A484-L488 WeakPolarHBondContact O-CG 3.39Å; A484-L488 PolarHBondContact O-N 3.36Å; I485-L488 PolarHBondContact O-N 3.07Å; L488-L834 HydrophobicContact CD1-CD1 4.33Å; L488-P861 VanDerWaalsContact O-CA 3.28Å; L488-P861 WeakPolarHBondContact O-CA 3.44Å; L488-H862 PolarHBondContact O-N 3.26Å; L488-H862 PolarHBondContact O-ND1 3.43Å; L488-I865 HydrophobicContact CB-CD1 3.95Å; L488-I865 HydrophobicContact CD1-CD1 4.25Å; L488-I865 HydrophobicContact CD2-CD1 3.73Å; L488-I865 HydrophobicContact CG-CD1 4.18Å |
| 489 | L | 86.3 | Confident | 73.8 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.7 | -162.6 | -49.5 | 178 | 0 | 0 | 0 | 113 | I485 L834 L859 R860 P861 | I485-L489 HydrophobicContact CG1-CD1 4.22Å; I485-L489 HydrophobicContact CG2-CB 4.41Å; I485-L489 HydrophobicContact CG2-CD1 4.33Å; I485-L489 WeakPolarHBondContact O-CA 3.42Å; I485-L489 WeakPolarHBondContact O-CB 3.41Å; I485-L489 PolarHBondContact O-N 2.77Å; L489-L834 HydrophobicContact CD1-CD1 3.88Å; L489-L834 HydrophobicContact CG-CD1 4.4Å; L489-L859 HydrophobicContact CB-CB 3.77Å; L489-L859 HydrophobicContact CB-CD1 4.21Å; L489-L859 HydrophobicContact CD1-CB 3.96Å; L489-L859 HydrophobicContact CD1-CD1 4.25Å; L489-L859 HydrophobicContact CG-CB 4.39Å; L489-R860 CarbonylContact C-O 3.56Å; L489-P861 HydrophobicContact CD2-CB 4.19Å; L489-P861 HydrophobicContact CD2-CG 3.82Å |
| 490 | Q | 76.8 | Confident | 73.3 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.5 | 172.4 | -63.4 | -179 | -8.2 | 0 | 0 | 110.1 | R860 H862 | Q490-R860 WeakPolarHBondContact CB-O 3.47Å; Q490-R860 PolarHBondContact N-O 3.37Å; Q490-H862 HydrophobicContact CG-CB 3.39Å; Q490-H862 VanDerWaalsContact NE2-CB 3.3Å |
| 491 | G | 65.8 | Low | 72.9 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -168.9 | 173.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | H493 M494 | G491-H493 PolarHBondContact O-N 3.29Å; G491-M494 PolarHBondContact O-N 2.91Å |
| 492 | E | 50.2 | Low | 72.7 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.8 | -179.3 | -72.7 | -157.3 | 125.9 | 0 | 0 | 113.9 | M494 L495 R496 M944 | E492-M494 PolarHBondContact O-N 2.81Å; E492-L495 PolarHBondContact O-N 3.47Å; E492-R496 PolarHBondContact O-N 2.9Å; E492-R496 IonicContact OE1-CZ 2.87Å; E492-R496 IonicContact OE1-NE 2.69Å; E492-R496 PolarHBondContact OE1-NE 3.08Å; E492-R496 IonicContact OE1-NH2 2.83Å; E492-R496 PolarHBondContact OE1-NH2 2.83Å; E492-M944 VanDerWaalsContact OE2-CE 3.26Å; E492-M944 WeakPolarHBondContact OE2-CE 3.44Å |
| 493 | H | 56.8 | Low | 72.8 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -32.2 | 172.2 | -72.4 | -83.5 | 0 | 0 | 0 | 113 | G491 L495 R497 G498 | G491-H493 PolarHBondContact O-N 3.29Å; H493-L495 VanDerWaalsContact C-N 3.28Å; H493-L495 PolarHBondContact O-N 2.96Å; H493-R497 PolarHBondContact O-N 3.12Å; H493-G498 PolarHBondContact O-N 2.85Å |
| 494 | M | 51.8 | Low | 72.9 | Confident | 107 Ų | 107 | 64 Ų | 64 | 53% | 0.527 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71 | -23.5 | 174.8 | -58.3 | -171.9 | 99 | 0 | 0 | 112.8 | G491 E492 | G491-M494 PolarHBondContact O-N 2.91Å; E492-M494 PolarHBondContact O-N 2.81Å |
| 495 | L | 44.3 | Very low | 73 | Confident | 153 Ų | 153 | 64.1 Ų | 64.1 | 80% | 0.801 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -104.6 | -24.4 | -173.7 | -72.2 | 162 | 0 | 0 | 0 | 113.7 | E492 H493 | E492-L495 PolarHBondContact O-N 3.47Å; H493-L495 VanDerWaalsContact C-N 3.28Å; H493-L495 PolarHBondContact O-N 2.96Å |
| 496 | R | 44.9 | Very low | 73.2 | Confident | 194 Ų | 194 | 72 Ų | 72 | 73% | 0.732 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -131.7 | -24.7 | -170.6 | -57.7 | -161.1 | -150.8 | -114.4 | 6.6 | 117.4 | E492 | E492-R496 PolarHBondContact O-N 2.9Å; E492-R496 IonicContact OE1-CZ 2.87Å; E492-R496 IonicContact OE1-NE 2.69Å; E492-R496 PolarHBondContact OE1-NE 3.08Å; E492-R496 IonicContact OE1-NH2 2.83Å; E492-R496 PolarHBondContact OE1-NH2 2.83Å |
| 497 | R | 51.5 | Low | 73.3 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 53% | 0.525 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -1.6 | -162.2 | -130.6 | -177.8 | -175.8 | -158.3 | -2.2 | 118 | H493 Y825 | H493-R497 PolarHBondContact O-N 3.12Å; R497-Y825 PolarHBondContact NH1-OH 3.46Å |
| 498 | G | 62.8 | Low | 73.8 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | trans | 64.2 | -171.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H493 | H493-G498 PolarHBondContact O-N 2.85Š| ||
| 499 | W | 73.3 | Confident | 74 | Confident | 64 Ų | 64 | 82.9 Ų | 82.9 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -63.9 | 149.3 | -179.7 | -92.2 | 72 | 0 | 0 | 0 | 112.9 | Q441 L442 T483 V486 | Q441-W499 HydrophobicContact CB-CH2 4.19Å; Q441-W499 HydrophobicContact CB-CZ2 3.35Å; L442-W499 HydrophobicContact CB-CD2 3.87Å; L442-W499 HydrophobicContact CB-CE3 3.75Å; L442-W499 HydrophobicContact CB-CH2 3.92Å; L442-W499 HydrophobicContact CB-CZ2 4.07Å; L442-W499 HydrophobicContact CB-CZ3 3.74Å; L442-W499 HydrophobicContact CD1-CB 4.42Å; L442-W499 HydrophobicContact CD1-CD2 4.05Å; L442-W499 HydrophobicContact CD1-CE3 4.25Å; L442-W499 HydrophobicContact CD1-CG 4.08Å; L442-W499 HydrophobicContact CD2-CE3 4.1Å; L442-W499 HydrophobicContact CD2-CZ3 4.38Å; L442-W499 HydrophobicContact CG-CD2 4.41Å; L442-W499 HydrophobicContact CG-CE3 4.24Å; T483-W499 HydrophobicContact CG2-CE3 4.26Å; T483-W499 HydrophobicContact CG2-CZ3 3.83Å; V486-W499 HydrophobicContact CG1-CZ2 4.25Å |
| 500 | P | 80.3 | Confident | 74.3 | Confident | 13 Ų | 13 | 86.9 Ų | 86.9 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 151.1 | 172.5 | -24.5 | 34.4 | 0 | 0 | 0 | 111.7 | Q482 T483 V486 H502 | Q482-P500 HydrophobicContact CB-CB 4.1Å; Q482-P500 HydrophobicContact CB-CG 3.93Å; T483-P500 HydrophobicContact CG2-CB 4.47Å; T483-P500 HydrophobicContact CG2-CG 4.09Å; V486-P500 HydrophobicContact CG2-CG 4.06Å; P500-H502 PolarHBondContact O-N 2.89Å; P500-H502 VanDerWaalsContact O-N 3.1Å; P500-H502 PolarHBondContact O-ND1 2.77Å; P500-H502 VanDerWaalsContact O-ND1 3.13Å |
| 501 | P | 81.9 | Confident | 75.1 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 119.7 | 178.7 | 25.4 | -33.1 | 0 | 0 | 0 | 109.4 | P479 L822 | P479-P501 VanDerWaalsContact CD-O 3.27Å; P479-P501 WeakPolarHBondContact CD-O 3.31Å; P501-L822 HydrophobicContact CB-CD2 4.43Å; P501-L822 HydrophobicContact CG-CD2 4.32Å |
| 502 | H | 87.2 | Confident | 76.5 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | trans | -130.1 | 159.8 | -178.3 | 62.1 | -82.6 | 0 | 0 | 0 | 109.8 | V476 L477 V478 P500 | V476-H502 HydrophobicContact CG1-CB 4.31Å; L477-H502 VanDerWaalsContact O-CA 3.26Å; L477-H502 WeakPolarHBondContact O-CA 3.29Å; L477-H502 WeakPolarHBondContact O-CB 3.41Å; V478-H502 HydrophobicContact CG1-CB 3.82Å; P500-H502 PolarHBondContact O-N 2.89Å; P500-H502 VanDerWaalsContact O-N 3.1Å; P500-H502 PolarHBondContact O-ND1 2.77Å; P500-H502 VanDerWaalsContact O-ND1 3.13Å | ||
| 503 | R | 89.1 | Confident | 78.5 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.2 | 171.7 | -162.8 | 156.5 | 86.5 | -150.9 | -21.9 | 111.7 | V476 L477 I544 F545 T546 | V476-R503 CarbonylContact C-O 3.6Å; V476-R503 WeakPolarHBondContact CA-O 3.43Å; L477-R503 PolarHBondContact N-O 3.35Å; L477-R503 PolarHBondContact O-N 2.72Å; R503-I544 PolarHBondContact NH2-O 3.43Å; R503-F545 VanDerWaalsContact CZ-O 3.3Å; R503-F545 PolarHBondContact NH1-O 3.34Å; R503-F545 PolarHBondContact NH2-O 3.15Å; R503-T546 VanDerWaalsContact NH1-C 3.26Å; R503-T546 PolarHBondContact NH1-O 2.93Å; R503-T546 PolarHBondContact NH2-O 3.02Å |
| 504 | T | 91.2 | Very high | 80.3 | Confident | 49 Ų | 49 | 78 Ų | 78 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.9 | 176 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | I475 V476 R506 | I475-T504 CarbonylContact O-C 3.57Å; I475-T504 WeakPolarHBondContact O-CA 3.41Å; V476-T504 HydrophobicContact CG2-CG2 4.06Å; T504-R506 HydrophobicContact CG2-CG 4.08Å |
| 505 | L | 94 | Very high | 82.3 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.4 | 169.4 | -41.6 | -179.5 | 0 | 0 | 0 | 108.3 | I475 L477 L530 W542 G547 | I475-L505 HydrophobicContact CB-CB 4.16Å; I475-L505 HydrophobicContact CB-CD1 4.41Å; I475-L505 HydrophobicContact CB-CG 4.46Å; I475-L505 HydrophobicContact CG2-CD1 4.33Å; I475-L505 PolarHBondContact N-O 2.81Å; I475-L505 PolarHBondContact O-N 3.07Å; L477-L505 HydrophobicContact CD1-CD1 3.64Å; L477-L505 HydrophobicContact CD1-CD2 4.1Å; L477-L505 HydrophobicContact CD1-CG 3.59Å; L505-L530 HydrophobicContact CD1-CD2 4.08Å; L505-W542 HydrophobicContact CB-CD2 4.37Å; L505-W542 HydrophobicContact CB-CE3 3.93Å; L505-W542 HydrophobicContact CB-CH2 4.12Å; L505-W542 HydrophobicContact CB-CZ3 3.8Å; L505-W542 HydrophobicContact CD1-CB 4.16Å; L505-W542 HydrophobicContact CD1-CD2 3.89Å; L505-W542 HydrophobicContact CD1-CE3 3.99Å; L505-W542 HydrophobicContact CD1-CG 3.99Å; L505-W542 HydrophobicContact CG-CE3 4.42Å; L505-G547 WeakPolarHBondContact CD2-O 3.34Å |
| 506 | R | 91.8 | Very high | 84.8 | Confident | 180 Ų | 180 | 67.3 Ų | 67.3 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.6 | 179.5 | -63.9 | -173.5 | 178.1 | -80.6 | -1 | 108.9 | T504 | T504-R506 HydrophobicContact CG2-CG 4.08Å |
| 507 | G | 88.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | trans | -176.1 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 508 | H | 94.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | trans | -65.5 | 142 | 169.8 | -73.1 | -74.8 | 0 | 0 | 0 | 110.6 | G473 V512 S532 D536 S538 | G473-H508 WeakPolarHBondContact O-CB 3.36Å; H508-V512 HydrophobicContact CB-CG2 4.28Å; H508-S532 PolarHBondContact CD2-OG 3.43Å; H508-S532 PolarHBondContact NE2-OG 2.83Å; H508-D536 WeakPolarHBondContact CA-OD2 3.44Å; H508-D536 IonicContact CE1-OD1 2.87Å; H508-D536 IonicContact CG-OD2 2.69Å; H508-D536 IonicContact ND1-OD1 3.47Å; H508-D536 PolarHBondContact ND1-OD1 3.22Å; H508-D536 IonicContact ND1-OD2 3.65Å; H508-D536 PolarHBondContact ND1-OD2 3.07Å; H508-S538 PolarHBondContact CE1-O 2.66Å; H508-S538 PolarHBondContact CE1-OG 2.8Å; H508-S538 VanDerWaalsContact CE1-OG 3.3Å; H508-S538 PolarHBondContact ND1-OG 2.95Å; H508-S538 VanDerWaalsContact ND1-OG 3.09Å | ||
| 509 | R | 92.2 | Very high | 90.5 | Very high | 217 Ų | 217 | 52.4 Ų | 52.4 | 82% | 0.819 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -86 | -24.6 | 179.6 | -62.8 | -177.6 | 179.8 | -172.9 | 0.4 | 112.9 | D536 | R509-D536 HydrophobicContact CB-CB 4.14Å; R509-D536 PolarHBondContact N-OD2 3.04Å |
| 510 | N | 91.4 | Very high | 91.1 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -136 | 179.2 | -177.7 | -72.7 | -29.2 | 0 | 0 | 0 | 110.2 | G473 V512 V535 D536 | G473-N510 WeakPolarHBondContact CA-O 3.34Å; N510-V512 PolarHBondContact O-N 2.9Å; N510-V535 HydrophobicContact CB-CB 4.04Å; N510-V535 HydrophobicContact CB-CG1 4.49Å; N510-D536 HydrophobicContact CB-CB 4.41Å |
| 511 | K | 93.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | trans | -36.8 | 128.7 | 176.9 | 171.7 | 173.7 | 171.9 | -179.1 | 0 | 113.5 | T455 E471 G534 V535 | T455-K511 HydrophobicContact CG2-CD 3.86Å; T455-K511 VanDerWaalsContact CG2-CE 3.41Å; T455-K511 HydrophobicContact CG2-CG 3.92Å; E471-K511 WeakPolarHBondContact O-CA 3.48Å; E471-K511 PolarHBondContact O-N 2.81Å; K511-G534 WeakPolarHBondContact O-CA 3.39Å; K511-V535 HydrophobicContact CB-CG2 3.85Å; K511-V535 HydrophobicContact CD-CG2 4.45Å; K511-V535 HydrophobicContact CG-CG2 4.19Å; K511-V535 PolarHBondContact O-N 2.92Å | ||
| 512 | V | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.7 | 170.9 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | T455 R470 I475 H508 N510 V515 G533 | T455-V512 VanDerWaalsContact CB-O 3.28Å; T455-V512 WeakPolarHBondContact CB-O 3.33Å; T455-V512 PolarHBondContact OG1-O 3.21Å; R470-V512 PolarHBondContact O-N 3.42Å; R470-V512 VanDerWaalsContact O-N 3.12Å; I475-V512 HydrophobicContact CD1-CG1 4.39Å; I475-V512 HydrophobicContact CD1-CG2 4.46Å; I475-V512 HydrophobicContact CG1-CG1 4.36Å; I475-V512 HydrophobicContact CG1-CG2 3.92Å; H508-V512 HydrophobicContact CB-CG2 4.28Å; N510-V512 PolarHBondContact O-N 2.9Å; V512-V515 HydrophobicContact CG1-CG2 3.79Å; V512-G533 WeakPolarHBondContact CG1-O 3.46Å |
| 513 | T | 93.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -32.7 | -173 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | G533 V535 I560 | T513-G533 PolarHBondContact N-O 3.32Å; T513-G533 PolarHBondContact OG1-O 2.85Å; T513-G533 VanDerWaalsContact OG1-O 3.1Å; T513-V535 HydrophobicContact CG2-CG2 3.54Å; T513-I560 WeakPolarHBondContact CB-O 3.1Å; T513-I560 PolarHBondContact OG1-O 2.7Å |
| 514 | C | 93 | Very high | 91.7 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 149.2 | 180 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | S532 G533 | C514-S532 WeakPolarHBondContact O-CA 3.45Å; C514-G533 PolarHBondContact N-O 3.43Å; C514-G533 PolarHBondContact O-N 3.31Å |
| 515 | V | 95.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142 | 175.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | A456 V458 V467 V512 L530 V531 | A456-V515 HydrophobicContact CB-CG2 4.06Å; V458-V515 HydrophobicContact CB-CG1 4.44Å; V458-V515 HydrophobicContact CG2-CB 4.19Å; V458-V515 HydrophobicContact CG2-CG1 4.22Å; V458-V515 WeakPolarHBondContact CG2-O 3.47Å; V467-V515 HydrophobicContact CG1-CG1 3.98Å; V512-V515 HydrophobicContact CG1-CG2 3.79Å; V515-L530 HydrophobicContact CG1-CD1 3.74Å; V515-L530 HydrophobicContact CG1-CG 4.33Å; V515-V531 CarbonylContact C-O 3.55Å; V515-V531 WeakPolarHBondContact CA-O 3.48Å |
| 516 | L | 95.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.8 | -179 | 175.2 | 65.3 | 0 | 0 | 0 | 109.4 | P518 V521 V531 L563 V565 V578 | L516-P518 HydrophobicContact CD2-CG 4.26Å; L516-P518 HydrophobicContact CG-CG 4.14Å; L516-P518 WeakPolarHBondContact O-CD 3.37Å; L516-V521 HydrophobicContact CD1-CG2 4.18Å; L516-V531 PolarHBondContact N-O 3.46Å; L516-V531 PolarHBondContact O-N 2.74Å; L516-L563 HydrophobicContact CB-CB 4.03Å; L516-L563 HydrophobicContact CB-CD1 4.24Å; L516-L563 HydrophobicContact CD2-CB 3.93Å; L516-V565 HydrophobicContact CD1-CG2 4.34Å; L516-V565 HydrophobicContact CD2-CG2 3.88Å; L516-V578 HydrophobicContact CD2-CG1 3.84Å; L516-V578 HydrophobicContact CD2-CG2 4.34Å |
| 517 | Y | 94.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -106.6 | 92.5 | 168 | -178.5 | -125.5 | 0 | 0 | 0 | 109 | I460 Y519 Q520 Q527 S529 | I460-Y517 HydrophobicContact CB-CD1 4.46Å; I460-Y517 HydrophobicContact CD1-CD1 3.96Å; I460-Y517 HydrophobicContact CD1-CD2 4.1Å; I460-Y517 HydrophobicContact CD1-CE1 4.28Å; I460-Y517 HydrophobicContact CD1-CE2 4.39Å; I460-Y517 HydrophobicContact CD1-CG 3.88Å; I460-Y517 HydrophobicContact CG1-CD1 3.76Å; I460-Y517 HydrophobicContact CG1-CE1 4.25Å; I460-Y517 HydrophobicContact CG1-CG 4.06Å; I460-Y517 HydrophobicContact CG2-CD1 4.03Å; I460-Y517 HydrophobicContact CG2-CE1 3.68Å; Y517-Y519 VanDerWaalsContact C-N 3.29Å; Y517-Y519 HydrophobicContact CE1-CD1 4.15Å; Y517-Y519 PolarHBondContact O-N 2.73Å; Y517-Q520 HydrophobicContact CD1-CB 3.47Å; Y517-Q520 VanDerWaalsContact CD1-CB 3.47Å; Y517-Q520 HydrophobicContact CE1-CB 3.93Å; Y517-Q520 HydrophobicContact CG-CB 4.47Å; Y517-Q520 PolarHBondContact O-N 3.49Å; Y517-Q527 WeakPolarHBondContact CE2-O 3.4Å; Y517-Q527 PolarHBondContact OH-O 3.33Å; Y517-S529 WeakPolarHBondContact CD2-O 3.27Å | ||
| 518 | P | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -33.5 | -167 | -24.5 | 35.1 | 0 | 0 | 0 | 114 | L516 Q520 V521 S522 Y525 S529 V531 V565 V578 L592 | L516-P518 HydrophobicContact CD2-CG 4.26Å; L516-P518 HydrophobicContact CG-CG 4.14Å; L516-P518 WeakPolarHBondContact O-CD 3.37Å; P518-Q520 VanDerWaalsContact C-N 3.26Å; P518-Q520 PolarHBondContact O-N 3.14Å; P518-V521 PolarHBondContact O-N 2.8Å; P518-S522 PolarHBondContact O-N 2.93Å; P518-Y525 HydrophobicContact CB-CD1 3.91Å; P518-Y525 HydrophobicContact CB-CD2 3.61Å; P518-Y525 HydrophobicContact CB-CE1 4.35Å; P518-Y525 HydrophobicContact CB-CE2 4.12Å; P518-Y525 HydrophobicContact CB-CG 3.51Å; P518-S529 WeakPolarHBondContact CD-O 3.48Å; P518-V531 HydrophobicContact CG-CG2 3.84Å; P518-V565 HydrophobicContact CB-CG2 4.21Å; P518-V578 HydrophobicContact CG-CG2 4.28Å; P518-L592 HydrophobicContact CG-CD1 4.22Å |
| 519 | Y | 91.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -35.8 | -179.6 | -179.4 | -95.2 | 0 | 0 | 0 | 113.2 | Y517 V521 S522 P523 Y525 Q527 | Y517-Y519 VanDerWaalsContact C-N 3.29Å; Y517-Y519 HydrophobicContact CE1-CD1 4.15Å; Y517-Y519 PolarHBondContact O-N 2.73Å; Y519-V521 VanDerWaalsContact C-N 3.27Å; Y519-V521 PolarHBondContact O-N 3.38Å; Y519-S522 CarbonylContact C-O 3.54Å; Y519-S522 WeakPolarHBondContact CA-O 3.48Å; Y519-S522 CarbonylContact O-C 3.57Å; Y519-S522 VanDerWaalsContact O-C 3.28Å; Y519-P523 HydrophobicContact CE2-CB 4.07Å; Y519-Y525 VanDerWaalsContact CD2-O 3.23Å; Y519-Y525 WeakPolarHBondContact CD2-O 3.23Å; Y519-Q527 HydrophobicContact CD1-CG 3.73Å; Y519-Q527 HydrophobicContact CD2-CB 4.46Å; Y519-Q527 HydrophobicContact CD2-CG 3.59Å; Y519-Q527 HydrophobicContact CE1-CG 3.58Å; Y519-Q527 HydrophobicContact CE2-CG 3.41Å; Y519-Q527 VanDerWaalsContact CE2-CG 3.41Å; Y519-Q527 HydrophobicContact CG-CB 4.41Å; Y519-Q527 HydrophobicContact CG-CG 3.73Å; Y519-Q527 VanDerWaalsContact CZ-CG 3.41Å; Y519-Q527 PolarHBondContact OH-NE2 2.86Å |
| 520 | Q | 87.6 | Confident | 91.7 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.1 | -26.1 | 178.9 | 174.5 | 175.8 | 0.9 | 0 | 0 | 112.6 | Y459 Y517 P518 | Y459-Q520 PolarHBondContact O-NE2 3.01Å; Y459-Q520 PolarHBondContact O-OE1 2.87Å; Y517-Q520 HydrophobicContact CD1-CB 3.47Å; Y517-Q520 VanDerWaalsContact CD1-CB 3.47Å; Y517-Q520 HydrophobicContact CE1-CB 3.93Å; Y517-Q520 HydrophobicContact CG-CB 4.47Å; Y517-Q520 PolarHBondContact O-N 3.49Å; P518-Q520 VanDerWaalsContact C-N 3.26Å; P518-Q520 PolarHBondContact O-N 3.14Å |
| 521 | V | 86.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 56% | 0.564 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -84 | -42.6 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L516 P518 Y519 V565 | L516-V521 HydrophobicContact CD1-CG2 4.18Å; P518-V521 PolarHBondContact O-N 2.8Å; Y519-V521 VanDerWaalsContact C-N 3.27Å; Y519-V521 PolarHBondContact O-N 3.38Å; V521-V565 HydrophobicContact CB-CB 4.31Å; V521-V565 HydrophobicContact CB-CG2 4.01Å; V521-V565 HydrophobicContact CG1-CB 3.91Å; V521-V565 HydrophobicContact CG1-CG1 4.19Å; V521-V565 HydrophobicContact CG1-CG2 4.15Å; V521-V565 HydrophobicContact CG2-CG2 4.3Å |
| 522 | S | 87.6 | Confident | 92.1 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -144.3 | 129.3 | 173.6 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | P518 Y519 R524 Y525 E568 | P518-S522 PolarHBondContact O-N 2.93Å; Y519-S522 CarbonylContact C-O 3.54Å; Y519-S522 WeakPolarHBondContact CA-O 3.48Å; Y519-S522 CarbonylContact O-C 3.57Å; Y519-S522 VanDerWaalsContact O-C 3.28Å; S522-R524 PolarHBondContact O-N 2.8Å; S522-R524 VanDerWaalsContact OG-CD 3.3Å; S522-R524 WeakPolarHBondContact OG-CD 3.45Å; S522-R524 WeakPolarHBondContact OG-CG 3.24Å; S522-R524 PolarHBondContact OG-NH1 2.8Å; S522-Y525 WeakPolarHBondContact O-CD2 3.45Å; S522-Y525 PolarHBondContact O-N 3.5Å; S522-E568 WeakPolarHBondContact CB-OE1 3.48Å; S522-E568 PolarHBondContact OG-OE1 2.95Å | ||
| 523 | P | 87.4 | Confident | 92.2 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3.2 | -176.2 | 28.9 | -35.4 | 0 | 0 | 0 | 113.9 | Y519 Y525 | Y519-P523 HydrophobicContact CE2-CB 4.07Å; P523-Y525 PolarHBondContact O-N 3.48Å |
| 524 | R | 88.1 | Confident | 92.3 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.8 | 176.2 | 75.3 | -168.8 | -171.8 | -131.4 | 8.9 | 114.5 | S522 V565 P566 E568 Q575 H576 | S522-R524 PolarHBondContact O-N 2.8Å; S522-R524 VanDerWaalsContact OG-CD 3.3Å; S522-R524 WeakPolarHBondContact OG-CD 3.45Å; S522-R524 WeakPolarHBondContact OG-CG 3.24Å; S522-R524 PolarHBondContact OG-NH1 2.8Å; R524-V565 VanDerWaalsContact NH2-CG1 3.32Å; R524-P566 VanDerWaalsContact CZ-O 3.29Å; R524-P566 PolarHBondContact NH1-O 3.38Å; R524-P566 PolarHBondContact NH2-O 3.2Å; R524-E568 VanDerWaalsContact NH1-CG 3.29Å; R524-Q575 VanDerWaalsContact CZ-O 3.26Å; R524-Q575 PolarHBondContact NE-O 3.16Å; R524-Q575 PolarHBondContact NH2-O 3.37Å; R524-Q575 VanDerWaalsContact NH2-O 3.11Å; R524-H576 PolarHBondContact O-CE1 3.28Å |
| 525 | Y | 90.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -85.6 | 168.6 | 174.9 | -65.2 | -81 | 0 | 0 | 0 | 110.8 | P518 Y519 S522 P523 V565 Q575 C577 V578 L592 | P518-Y525 HydrophobicContact CB-CD1 3.91Å; P518-Y525 HydrophobicContact CB-CD2 3.61Å; P518-Y525 HydrophobicContact CB-CE1 4.35Å; P518-Y525 HydrophobicContact CB-CE2 4.12Å; P518-Y525 HydrophobicContact CB-CG 3.51Å; Y519-Y525 VanDerWaalsContact CD2-O 3.23Å; Y519-Y525 WeakPolarHBondContact CD2-O 3.23Å; S522-Y525 WeakPolarHBondContact O-CD2 3.45Å; S522-Y525 PolarHBondContact O-N 3.5Å; P523-Y525 PolarHBondContact O-N 3.48Å; Y525-V565 HydrophobicContact CE2-CG1 3.52Å; Y525-V565 HydrophobicContact CE2-CG2 4.34Å; Y525-Q575 PolarHBondContact OH-O 2.81Å; Y525-C577 PolarHBondContact OH-O 2.86Å; Y525-V578 HydrophobicContact CE1-CG2 4.45Å; Y525-L592 HydrophobicContact CD1-CD1 3.79Å; Y525-L592 HydrophobicContact CE1-CD1 3.91Å |
| 526 | D | 89.6 | Confident | 92.3 | Very high | 77 Ų | 77 | 38 Ų | 38 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | trans | -82.2 | 133.3 | 174.3 | 177.6 | 13 | 0 | 0 | 0 | 110.3 | R528 S529 | D526-R528 PolarHBondContact O-N 3.33Å; D526-R528 VanDerWaalsContact O-N 3.11Å; D526-R528 WeakPolarHBondContact OD1-CG 3.37Å; D526-R528 PolarHBondContact OD1-N 2.97Å; D526-R528 WeakPolarHBondContact OD2-CB 3.41Å; D526-S529 WeakPolarHBondContact O-CB 3.4Å; D526-S529 PolarHBondContact O-N 2.94Å | ||
| 527 | Q | 90.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 41.4 Ų | 41.4 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24 | 173.1 | -67.9 | -175.7 | 5.8 | 0 | 0 | 112.8 | Y517 Y519 S529 | Y517-Q527 WeakPolarHBondContact CE2-O 3.4Å; Y517-Q527 PolarHBondContact OH-O 3.33Å; Y519-Q527 HydrophobicContact CD1-CG 3.73Å; Y519-Q527 HydrophobicContact CD2-CB 4.46Å; Y519-Q527 HydrophobicContact CD2-CG 3.59Å; Y519-Q527 HydrophobicContact CE1-CG 3.58Å; Y519-Q527 HydrophobicContact CE2-CG 3.41Å; Y519-Q527 VanDerWaalsContact CE2-CG 3.41Å; Y519-Q527 HydrophobicContact CG-CB 4.41Å; Y519-Q527 HydrophobicContact CG-CG 3.73Å; Y519-Q527 VanDerWaalsContact CZ-CG 3.41Å; Y519-Q527 PolarHBondContact OH-NE2 2.86Å; Q527-S529 VanDerWaalsContact C-N 3.29Å |
| 528 | R | 91.9 | Very high | 92.4 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.1 | 177.5 | -46.5 | -165.4 | 169.6 | 170.1 | -0.4 | 113.1 | D526 D543 I544 F545 E815 | D526-R528 PolarHBondContact O-N 3.33Å; D526-R528 VanDerWaalsContact O-N 3.11Å; D526-R528 WeakPolarHBondContact OD1-CG 3.37Å; D526-R528 PolarHBondContact OD1-N 2.97Å; D526-R528 WeakPolarHBondContact OD2-CB 3.41Å; R528-D543 CarbonylContact O-C 3.57Å; R528-D543 VanDerWaalsContact O-CA 3.29Å; R528-D543 WeakPolarHBondContact O-CA 3.43Å; R528-I544 PolarHBondContact O-N 3.11Å; R528-F545 HydrophobicContact CB-CD2 3.83Å; R528-F545 HydrophobicContact CB-CE2 4.09Å; R528-F545 HydrophobicContact CG-CD2 3.56Å; R528-F545 HydrophobicContact CG-CE2 3.68Å; R528-E815 IonicContact CZ-OE2 3.18Å; R528-E815 IonicContact NH2-OE2 3.79Å; R528-E815 PolarHBondContact NH2-OE2 2.81Å |
| 529 | S | 93.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.1 | -169.9 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | Y517 P518 D526 Q527 | Y517-S529 WeakPolarHBondContact CD2-O 3.27Å; P518-S529 WeakPolarHBondContact CD-O 3.48Å; D526-S529 WeakPolarHBondContact O-CB 3.4Å; D526-S529 PolarHBondContact O-N 2.94Å; Q527-S529 VanDerWaalsContact C-N 3.29Å |
| 530 | L | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.6 | 169.7 | 175.6 | 80 | 0 | 0 | 0 | 108.6 | V467 L505 V515 V541 W542 | V467-L530 HydrophobicContact CG1-CD1 4.34Å; V467-L530 HydrophobicContact CG1-CD2 3.87Å; V467-L530 HydrophobicContact CG2-CD1 4.43Å; L505-L530 HydrophobicContact CD1-CD2 4.08Å; V515-L530 HydrophobicContact CG1-CD1 3.74Å; V515-L530 HydrophobicContact CG1-CG 4.33Å; L530-V541 CarbonylContact O-C 3.41Å; L530-V541 WeakPolarHBondContact O-CA 3.27Å; L530-W542 HydrophobicContact CB-CB 4.19Å; L530-W542 HydrophobicContact CD2-CB 4.43Å; L530-W542 PolarHBondContact N-O 2.84Å; L530-W542 PolarHBondContact O-N 3.01Å |
| 531 | V | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.7 | -179.7 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | V515 L516 P518 V539 I540 V541 L563 L592 | V515-V531 CarbonylContact C-O 3.55Å; V515-V531 WeakPolarHBondContact CA-O 3.48Å; L516-V531 PolarHBondContact N-O 3.46Å; L516-V531 PolarHBondContact O-N 2.74Å; P518-V531 HydrophobicContact CG-CG2 3.84Å; V531-V539 HydrophobicContact CG1-CG1 3.5Å; V531-V539 VanDerWaalsContact CG1-CG1 3.5Å; V531-I540 CarbonylContact C-O 3.49Å; V531-I540 WeakPolarHBondContact CA-O 3.4Å; V531-V541 HydrophobicContact CG2-CG2 4.5Å; V531-L563 HydrophobicContact CB-CD1 4.47Å; V531-L563 HydrophobicContact CG1-CD1 3.92Å; V531-L563 HydrophobicContact CG1-CD2 4.36Å; V531-L592 HydrophobicContact CG2-CD1 4.07Å; V531-L592 HydrophobicContact CG2-CD2 4.14Å |
| 532 | S | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.3 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | I475 H508 C514 V539 I540 W542 | I475-S532 WeakPolarHBondContact CD1-OG 3.47Å; H508-S532 PolarHBondContact CD2-OG 3.43Å; H508-S532 PolarHBondContact NE2-OG 2.83Å; C514-S532 WeakPolarHBondContact O-CA 3.45Å; S532-V539 CarbonylContact O-C 3.55Å; S532-V539 VanDerWaalsContact O-CA 3.24Å; S532-V539 WeakPolarHBondContact O-CA 3.45Å; S532-I540 PolarHBondContact N-O 3Å; S532-I540 PolarHBondContact O-N 2.89Å; S532-W542 PolarHBondContact OG-NE1 3.25Å |
| 533 | G | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 149.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V512 T513 C514 S538 | V512-G533 WeakPolarHBondContact CG1-O 3.46Å; T513-G533 PolarHBondContact N-O 3.32Å; T513-G533 PolarHBondContact OG1-O 2.85Å; T513-G533 VanDerWaalsContact OG1-O 3.1Å; C514-G533 PolarHBondContact N-O 3.43Å; C514-G533 PolarHBondContact O-N 3.31Å; G533-S538 WeakPolarHBondContact CA-O 3.13Å |
| 534 | G | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 171.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | K511 D536 F537 S538 I560 | K511-G534 WeakPolarHBondContact O-CA 3.39Å; G534-D536 PolarHBondContact O-N 3.02Å; G534-F537 PolarHBondContact O-N 2.73Å; G534-S538 PolarHBondContact N-O 2.85Å; G534-I560 PolarHBondContact O-N 3.33Å |
| 535 | V | 95.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 24% | 0.242 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.4 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | N510 K511 T513 F537 E559 | N510-V535 HydrophobicContact CB-CB 4.04Å; N510-V535 HydrophobicContact CB-CG1 4.49Å; K511-V535 HydrophobicContact CB-CG2 3.85Å; K511-V535 HydrophobicContact CD-CG2 4.45Å; K511-V535 HydrophobicContact CG-CG2 4.19Å; K511-V535 PolarHBondContact O-N 2.92Å; T513-V535 HydrophobicContact CG2-CG2 3.54Å; V535-F537 WeakPolarHBondContact O-CD1 3.47Å; V535-F537 WeakPolarHBondContact O-CE1 3.18Å; V535-F537 PolarHBondContact O-N 2.77Å; V535-E559 HydrophobicContact CB-CB 4.44Å; V535-E559 HydrophobicContact CG1-CB 4.47Å; V535-E559 HydrophobicContact CG2-CB 4.45Å |
| 536 | D | 94.3 | Very high | 94 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 15.5 | 174.4 | 64.6 | -1.8 | 0 | 0 | 0 | 114.1 | H508 R509 N510 G534 S538 | H508-D536 WeakPolarHBondContact CA-OD2 3.44Å; H508-D536 IonicContact CE1-OD1 2.87Å; H508-D536 IonicContact CG-OD2 2.69Å; H508-D536 IonicContact ND1-OD1 3.47Å; H508-D536 PolarHBondContact ND1-OD1 3.22Å; H508-D536 IonicContact ND1-OD2 3.65Å; H508-D536 PolarHBondContact ND1-OD2 3.07Å; R509-D536 HydrophobicContact CB-CB 4.14Å; R509-D536 PolarHBondContact N-OD2 3.04Å; N510-D536 HydrophobicContact CB-CB 4.41Å; G534-D536 PolarHBondContact O-N 3.02Å; D536-S538 PolarHBondContact O-N 2.81Å; D536-S538 VanDerWaalsContact O-N 3.09Å; D536-S538 PolarHBondContact OD1-N 2.96Å; D536-S538 PolarHBondContact OD1-OG 2.89Å; D536-S538 PolarHBondContact OD2-OG 2.84Å |
| 537 | F | 95.4 | Very high | 93.9 | Very high | 91 Ų | 91 | 27.3 Ų | 27.3 | 40% | 0.399 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 64.3 | 9.9 | 177.1 | -42.2 | -27.9 | 0 | 0 | 0 | 114.1 | G534 V535 G558 E559 | G534-F537 PolarHBondContact O-N 2.73Å; V535-F537 WeakPolarHBondContact O-CD1 3.47Å; V535-F537 WeakPolarHBondContact O-CE1 3.18Å; V535-F537 PolarHBondContact O-N 2.77Å; F537-G558 WeakPolarHBondContact CD1-O 3.35Å; F537-E559 VanDerWaalsContact CD1-N 3.35Å |
| 538 | S | 96.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -101.5 | 145.2 | -174.7 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | H508 G533 G534 D536 F553 | H508-S538 PolarHBondContact CE1-O 2.66Å; H508-S538 PolarHBondContact CE1-OG 2.8Å; H508-S538 VanDerWaalsContact CE1-OG 3.3Å; H508-S538 PolarHBondContact ND1-OG 2.95Å; H508-S538 VanDerWaalsContact ND1-OG 3.09Å; G533-S538 WeakPolarHBondContact CA-O 3.13Å; G534-S538 PolarHBondContact N-O 2.85Å; D536-S538 PolarHBondContact O-N 2.81Å; D536-S538 VanDerWaalsContact O-N 3.09Å; D536-S538 PolarHBondContact OD1-N 2.96Å; D536-S538 PolarHBondContact OD1-OG 2.89Å; D536-S538 PolarHBondContact OD2-OG 2.84Å; S538-F553 CarbonylContact C-O 3.6Å; S538-F553 WeakPolarHBondContact CA-O 3.4Å | ||
| 539 | V | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.3 | 165.7 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | V531 S532 F553 I560 L563 L590 | V531-V539 HydrophobicContact CG1-CG1 3.5Å; V531-V539 VanDerWaalsContact CG1-CG1 3.5Å; S532-V539 CarbonylContact O-C 3.55Å; S532-V539 VanDerWaalsContact O-CA 3.24Å; S532-V539 WeakPolarHBondContact O-CA 3.45Å; V539-F553 HydrophobicContact CB-CB 4.22Å; V539-F553 HydrophobicContact CB-CD2 4.44Å; V539-F553 HydrophobicContact CG1-CD2 4.46Å; V539-F553 PolarHBondContact N-O 2.94Å; V539-F553 PolarHBondContact O-N 2.87Å; V539-I560 HydrophobicContact CG2-CD1 3.91Å; V539-I560 HydrophobicContact CG2-CG1 3.85Å; V539-I560 HydrophobicContact CG2-CG2 4.2Å; V539-L563 HydrophobicContact CG1-CD2 3.95Å; V539-L563 HydrophobicContact CG2-CD2 4.24Å; V539-L590 HydrophobicContact CB-CD1 3.86Å; V539-L590 HydrophobicContact CG1-CD1 3.84Å; V539-L590 HydrophobicContact CG2-CD1 4Å |
| 540 | I | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134 | -174.6 | -54.2 | -176.8 | 0 | 0 | 0 | 110.2 | V531 S532 W542 M549 H551 I552 | V531-I540 CarbonylContact C-O 3.49Å; V531-I540 WeakPolarHBondContact CA-O 3.4Å; S532-I540 PolarHBondContact N-O 3Å; S532-I540 PolarHBondContact O-N 2.89Å; I540-W542 HydrophobicContact CB-CZ2 4Å; I540-W542 HydrophobicContact CD1-CZ2 3.96Å; I540-W542 HydrophobicContact CG2-CD2 3.91Å; I540-W542 HydrophobicContact CG2-CE3 4.5Å; I540-W542 HydrophobicContact CG2-CG 4.39Å; I540-W542 HydrophobicContact CG2-CH2 4.14Å; I540-W542 HydrophobicContact CG2-CZ2 3.49Å; I540-W542 VanDerWaalsContact CG2-CZ2 3.49Å; I540-M549 HydrophobicContact CD1-SD 4.38Å; I540-M549 HydrophobicContact CG2-CG 3.49Å; I540-M549 VanDerWaalsContact CG2-CG 3.49Å; I540-M549 HydrophobicContact CG2-SD 3.87Å; I540-H551 WeakPolarHBondContact CA-O 3.31Å; I540-H551 WeakPolarHBondContact CG2-O 3.47Å; I540-I552 HydrophobicContact CD1-CG1 4.49Å; I540-I552 HydrophobicContact CG1-CG1 4.2Å; I540-I552 HydrophobicContact CG1-CG2 4.26Å; I540-I552 HydrophobicContact CG2-CG1 4.44Å |
| 541 | V | 96.9 | Very high | 94 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.7 | 172.4 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | L530 V531 K550 H551 F553 L592 | L530-V541 CarbonylContact O-C 3.41Å; L530-V541 WeakPolarHBondContact O-CA 3.27Å; V531-V541 HydrophobicContact CG2-CG2 4.5Å; V541-K550 HydrophobicContact CB-CB 4.49Å; V541-K550 HydrophobicContact CG1-CB 4.35Å; V541-K550 WeakPolarHBondContact O-CA 3.28Å; V541-K550 WeakPolarHBondContact O-CB 3.45Å; V541-K550 PolarHBondContact O-N 2.9Å; V541-H551 HydrophobicContact CB-CB 4.23Å; V541-H551 HydrophobicContact CG2-CB 4.39Å; V541-H551 PolarHBondContact N-O 3.36Å; V541-H551 PolarHBondContact O-N 2.89Å; V541-F553 HydrophobicContact CG2-CD2 4.36Å; V541-F553 HydrophobicContact CG2-CE2 3.76Å; V541-L592 HydrophobicContact CG2-CD2 3.72Å |
| 542 | W | 96.1 | Very high | 94 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 154.2 | -176 | -53.7 | 89.9 | 0 | 0 | 0 | 111.4 | I475 L505 L530 S532 I540 M549 | I475-W542 HydrophobicContact CD1-CZ2 4.24Å; L505-W542 HydrophobicContact CB-CD2 4.37Å; L505-W542 HydrophobicContact CB-CE3 3.93Å; L505-W542 HydrophobicContact CB-CH2 4.12Å; L505-W542 HydrophobicContact CB-CZ3 3.8Å; L505-W542 HydrophobicContact CD1-CB 4.16Å; L505-W542 HydrophobicContact CD1-CD2 3.89Å; L505-W542 HydrophobicContact CD1-CE3 3.99Å; L505-W542 HydrophobicContact CD1-CG 3.99Å; L505-W542 HydrophobicContact CG-CE3 4.42Å; L530-W542 HydrophobicContact CB-CB 4.19Å; L530-W542 HydrophobicContact CD2-CB 4.43Å; L530-W542 PolarHBondContact N-O 2.84Å; L530-W542 PolarHBondContact O-N 3.01Å; S532-W542 PolarHBondContact OG-NE1 3.25Å; I540-W542 HydrophobicContact CB-CZ2 4Å; I540-W542 HydrophobicContact CD1-CZ2 3.96Å; I540-W542 HydrophobicContact CG2-CD2 3.91Å; I540-W542 HydrophobicContact CG2-CE3 4.5Å; I540-W542 HydrophobicContact CG2-CG 4.39Å; I540-W542 HydrophobicContact CG2-CH2 4.14Å; I540-W542 HydrophobicContact CG2-CZ2 3.49Å; I540-W542 VanDerWaalsContact CG2-CZ2 3.49Å; W542-M549 HydrophobicContact CE3-CB 3.95Å; W542-M549 HydrophobicContact CE3-CG 4.46Å; W542-M549 HydrophobicContact CH2-CB 4.4Å; W542-M549 HydrophobicContact CZ3-CB 3.72Å; W542-M549 HydrophobicContact CZ3-CG 4.25Å |
| 543 | D | 92.6 | Very high | 94 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.4 | 158.7 | -161.4 | -64.3 | 0 | 0 | 0 | 110.6 | R528 F545 T546 G547 E548 K550 | R528-D543 CarbonylContact O-C 3.57Å; R528-D543 VanDerWaalsContact O-CA 3.29Å; R528-D543 WeakPolarHBondContact O-CA 3.43Å; D543-F545 VanDerWaalsContact C-N 3.32Å; D543-F545 PolarHBondContact O-N 2.91Å; D543-F545 WeakPolarHBondContact OD1-CA 3.39Å; D543-F545 PolarHBondContact OD1-N 2.82Å; D543-T546 WeakPolarHBondContact CB-OG1 3.36Å; D543-T546 PolarHBondContact OD1-N 3.42Å; D543-G547 WeakPolarHBondContact O-CA 3.24Å; D543-G547 PolarHBondContact O-N 2.84Å; D543-E548 PolarHBondContact N-O 3.17Å; D543-K550 HydrophobicContact CB-CD 4.3Å; D543-K550 HydrophobicContact CB-CG 4.44Å; D543-K550 WeakPolarHBondContact OD2-CE 3.17Å; D543-K550 IonicContact OD2-NZ 2.78Å; D543-K550 PolarHBondContact OD2-NZ 3.42Å |
| 544 | I | 89.9 | Confident | 93.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -29.2 | -178.2 | -156.4 | 178.6 | 0 | 0 | 0 | 112.9 | I460 L477 R503 R528 | I460-I544 HydrophobicContact CD1-CD1 3.16Å; L477-I544 HydrophobicContact CD2-CD1 4.11Å; L477-I544 HydrophobicContact CD2-CG1 3.44Å; L477-I544 VanDerWaalsContact CD2-CG1 3.44Å; R503-I544 PolarHBondContact NH2-O 3.43Å; R528-I544 PolarHBondContact O-N 3.11Å |
| 545 | F | 88 | Confident | 93.8 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -38.7 | -177.8 | -60.6 | -73.7 | 0 | 0 | 0 | 111.6 | Q463 R503 R528 D543 | Q463-F545 VanDerWaalsContact NE2-CZ 3.34Å; R503-F545 VanDerWaalsContact CZ-O 3.3Å; R503-F545 PolarHBondContact NH1-O 3.34Å; R503-F545 PolarHBondContact NH2-O 3.15Å; R528-F545 HydrophobicContact CB-CD2 3.83Å; R528-F545 HydrophobicContact CB-CE2 4.09Å; R528-F545 HydrophobicContact CG-CD2 3.56Å; R528-F545 HydrophobicContact CG-CE2 3.68Å; D543-F545 VanDerWaalsContact C-N 3.32Å; D543-F545 PolarHBondContact O-N 2.91Å; D543-F545 WeakPolarHBondContact OD1-CA 3.39Å; D543-F545 PolarHBondContact OD1-N 2.82Å |
| 546 | T | 87.8 | Confident | 93.8 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 43% | 0.429 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -37.1 | -177.8 | 116.8 | 0 | 0 | 0 | 0 | 112.9 | R503 D543 E548 | R503-T546 VanDerWaalsContact NH1-C 3.26Å; R503-T546 PolarHBondContact NH1-O 2.93Å; R503-T546 PolarHBondContact NH2-O 3.02Å; D543-T546 WeakPolarHBondContact CB-OG1 3.36Å; D543-T546 PolarHBondContact OD1-N 3.42Å; T546-E548 VanDerWaalsContact C-N 3.25Å; T546-E548 VanDerWaalsContact OG1-CB 3.3Å; T546-E548 WeakPolarHBondContact OG1-CB 3.36Å; T546-E548 VanDerWaalsContact OG1-CG 3.23Å; T546-E548 WeakPolarHBondContact OG1-CG 3.37Å; T546-E548 PolarHBondContact OG1-N 2.89Å; T546-E548 PolarHBondContact OG1-OE2 3.2Å |
| 547 | G | 87 | Confident | 93.7 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | trans | 88.8 | 3.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L505 D543 | L505-G547 WeakPolarHBondContact CD2-O 3.34Å; D543-G547 WeakPolarHBondContact O-CA 3.24Å; D543-G547 PolarHBondContact O-N 2.84Å | ||
| 548 | E | 91.5 | Very high | 93.6 | Very high | 129 Ų | 129 | 39.4 Ų | 39.4 | 60% | 0.603 | 22% | 0.224 | S | C | * | . | trans | -79.5 | 144.2 | 178.7 | -64.6 | 170.4 | 149.8 | 0 | 0 | 109.8 | D543 T546 K550 | D543-E548 PolarHBondContact N-O 3.17Å; T546-E548 VanDerWaalsContact C-N 3.25Å; T546-E548 VanDerWaalsContact OG1-CB 3.3Å; T546-E548 WeakPolarHBondContact OG1-CB 3.36Å; T546-E548 VanDerWaalsContact OG1-CG 3.23Å; T546-E548 WeakPolarHBondContact OG1-CG 3.37Å; T546-E548 PolarHBondContact OG1-N 2.89Å; T546-E548 PolarHBondContact OG1-OE2 3.2Å; E548-K550 PolarHBondContact O-N 3.02Å | ||
| 549 | M | 94.1 | Very high | 93.5 | Very high | 88 Ų | 88 | 43 Ų | 43 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 114.4 | 168.9 | -176.2 | 176.6 | 66.2 | 0 | 0 | 108.6 | I540 W542 I552 | I540-M549 HydrophobicContact CD1-SD 4.38Å; I540-M549 HydrophobicContact CG2-CG 3.49Å; I540-M549 VanDerWaalsContact CG2-CG 3.49Å; I540-M549 HydrophobicContact CG2-SD 3.87Å; W542-M549 HydrophobicContact CE3-CB 3.95Å; W542-M549 HydrophobicContact CE3-CG 4.46Å; W542-M549 HydrophobicContact CH2-CB 4.4Å; W542-M549 HydrophobicContact CZ3-CB 3.72Å; W542-M549 HydrophobicContact CZ3-CG 4.25Å; M549-I552 HydrophobicContact CE-CD1 3.75Å; M549-I552 HydrophobicContact CE-CG1 4.08Å; M549-I552 HydrophobicContact CG-CG1 4.27Å; M549-I552 HydrophobicContact SD-CD1 3.52Å; M549-I552 VanDerWaalsContact SD-CD1 3.52Å; M549-I552 HydrophobicContact SD-CG1 3.48Å; M549-I552 WeakPolarHBondContact SD-CG1 3.35Å |
| 550 | K | 93.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 43 Ų | 43 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -39.6 | -180 | -76.6 | 179.4 | 166.8 | 159.9 | 0 | 112.3 | V541 D543 E548 | V541-K550 HydrophobicContact CB-CB 4.49Å; V541-K550 HydrophobicContact CG1-CB 4.35Å; V541-K550 WeakPolarHBondContact O-CA 3.28Å; V541-K550 WeakPolarHBondContact O-CB 3.45Å; V541-K550 PolarHBondContact O-N 2.9Å; D543-K550 HydrophobicContact CB-CD 4.3Å; D543-K550 HydrophobicContact CB-CG 4.44Å; D543-K550 WeakPolarHBondContact OD2-CE 3.17Å; D543-K550 IonicContact OD2-NZ 2.78Å; D543-K550 PolarHBondContact OD2-NZ 3.42Å; E548-K550 PolarHBondContact O-N 3.02Å |
| 551 | H | 95.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 153.6 | -175.5 | -163.9 | -101.5 | 0 | 0 | 0 | 112.6 | I540 V541 F553 R595 | I540-H551 WeakPolarHBondContact CA-O 3.31Å; I540-H551 WeakPolarHBondContact CG2-O 3.47Å; V541-H551 HydrophobicContact CB-CB 4.23Å; V541-H551 HydrophobicContact CG2-CB 4.39Å; V541-H551 PolarHBondContact N-O 3.36Å; V541-H551 PolarHBondContact O-N 2.89Å; H551-F553 AromaticContact CE1-CD1 3.65Å; H551-F553 AromaticContact CE1-CE1 3.52Å; H551-F553 AromaticContact CE1-CZ 3.89Å; H551-F553 AromaticContact ND1-CD1 3.75Å; H551-F553 AromaticContact ND1-CD2 3.74Å; H551-F553 AromaticContact ND1-CE1 3.54Å; H551-F553 AromaticContact ND1-CE2 3.54Å; H551-F553 AromaticContact ND1-CG 3.86Å; H551-F553 AromaticContact ND1-CZ 3.44Å; H551-F553 WeakPolarHBondContact ND1-CZ 3.13Å; H551-R595 PolarHBondContact CE1-O 2.78Å |
| 552 | I | 96.3 | Very high | 93 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 36% | 0.359 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.3 | 171.6 | -54.1 | 175 | 0 | 0 | 0 | 108.6 | I540 M549 C554 | I540-I552 HydrophobicContact CD1-CG1 4.49Å; I540-I552 HydrophobicContact CG1-CG1 4.2Å; I540-I552 HydrophobicContact CG1-CG2 4.26Å; I540-I552 HydrophobicContact CG2-CG1 4.44Å; M549-I552 HydrophobicContact CE-CD1 3.75Å; M549-I552 HydrophobicContact CE-CG1 4.08Å; M549-I552 HydrophobicContact CG-CG1 4.27Å; M549-I552 HydrophobicContact SD-CD1 3.52Å; M549-I552 VanDerWaalsContact SD-CD1 3.52Å; M549-I552 HydrophobicContact SD-CG1 3.48Å; M549-I552 WeakPolarHBondContact SD-CG1 3.35Å; I552-C554 VanDerWaalsContact CG2-SG 3.59Å |
| 553 | F | 97 | Very high | 92.9 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.2 | 167.5 | -60.2 | -81.3 | 0 | 0 | 0 | 109.9 | S538 V539 V541 H551 L590 L592 | S538-F553 CarbonylContact C-O 3.6Å; S538-F553 WeakPolarHBondContact CA-O 3.4Å; V539-F553 HydrophobicContact CB-CB 4.22Å; V539-F553 HydrophobicContact CB-CD2 4.44Å; V539-F553 HydrophobicContact CG1-CD2 4.46Å; V539-F553 PolarHBondContact N-O 2.94Å; V539-F553 PolarHBondContact O-N 2.87Å; V541-F553 HydrophobicContact CG2-CD2 4.36Å; V541-F553 HydrophobicContact CG2-CE2 3.76Å; H551-F553 AromaticContact CE1-CD1 3.65Å; H551-F553 AromaticContact CE1-CE1 3.52Å; H551-F553 AromaticContact CE1-CZ 3.89Å; H551-F553 AromaticContact ND1-CD1 3.75Å; H551-F553 AromaticContact ND1-CD2 3.74Å; H551-F553 AromaticContact ND1-CE1 3.54Å; H551-F553 AromaticContact ND1-CE2 3.54Å; H551-F553 AromaticContact ND1-CG 3.86Å; H551-F553 AromaticContact ND1-CZ 3.44Å; H551-F553 WeakPolarHBondContact ND1-CZ 3.13Å; F553-L590 HydrophobicContact CB-CD1 4.04Å; F553-L590 HydrophobicContact CB-CD2 4.3Å; F553-L590 HydrophobicContact CD1-CD2 4Å; F553-L590 HydrophobicContact CD2-CB 4.36Å; F553-L590 HydrophobicContact CD2-CD1 3.85Å; F553-L590 HydrophobicContact CE1-CB 4.37Å; F553-L590 HydrophobicContact CE1-CD2 4.47Å; F553-L590 HydrophobicContact CE2-CB 4.15Å; F553-L590 HydrophobicContact CE2-CD1 4.43Å; F553-L590 HydrophobicContact CG-CD1 3.93Å; F553-L590 HydrophobicContact CG-CD2 4.1Å; F553-L590 HydrophobicContact CG-CG 4.43Å; F553-L590 HydrophobicContact CZ-CB 4.15Å; F553-L592 HydrophobicContact CE2-CD2 4.47Å |
| 554 | C | 94.3 | Very high | 93 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | trans | -124.3 | 67.2 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | I552 | I552-C554 VanDerWaalsContact CG2-SG 3.59Š| ||
| 555 | V | 93.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 53 Ų | 53 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -102.8 | -15.6 | -176.9 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | L590 C597 L600 | V555-L590 HydrophobicContact CG2-CD2 3.95Å; V555-C597 HydrophobicContact CG1-CB 3.71Å; V555-L600 HydrophobicContact CG2-CD1 4.43Å | ||
| 556 | H | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | trans | -98.5 | 152.7 | -178.3 | -61.9 | -69.8 | 0 | 0 | 0 | 110.7 | I560 S580 A582 S586 G588 | H556-I560 HydrophobicContact CB-CD1 3.94Å; H556-I560 WeakPolarHBondContact CD2-CD1 3.39Å; H556-S580 WeakPolarHBondContact NE2-CB 3.12Å; H556-S580 PolarHBondContact NE2-OG 3.47Å; H556-A582 HydrophobicContact CB-CB 3.76Å; H556-S586 PolarHBondContact ND1-OG 2.89Å; H556-G588 PolarHBondContact CE1-N 3.41Å | ||
| 557 | G | 93.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 56% | 0.557 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -101.8 | 1.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | D584 | G557-D584 WeakPolarHBondContact CA-OD2 3.32Å; G557-D584 PolarHBondContact N-OD2 2.82Å |
| 558 | G | 92.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -131.4 | 171.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F537 D584 | F537-G558 WeakPolarHBondContact CD1-O 3.35Å; G558-D584 PolarHBondContact N-OD2 3.4Å |
| 559 | E | 93.9 | Very high | 92.8 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | trans | -63.2 | 141.6 | 179.2 | 52.4 | 171 | -157.8 | 0 | 0 | 110.9 | V535 F537 S561 A582 S583 | V535-E559 HydrophobicContact CB-CB 4.44Å; V535-E559 HydrophobicContact CG1-CB 4.47Å; V535-E559 HydrophobicContact CG2-CB 4.45Å; F537-E559 VanDerWaalsContact CD1-N 3.35Å; E559-S561 PolarHBondContact O-N 2.9Å; E559-A582 CarbonylContact O-C 3.51Å; E559-A582 WeakPolarHBondContact O-CA 3.42Å; E559-S583 WeakPolarHBondContact CG-OG 3.41Å; E559-S583 PolarHBondContact N-OG 3.12Å; E559-S583 VanDerWaalsContact N-OG 3.12Å; E559-S583 PolarHBondContact O-N 3.48Å | ||
| 560 | I | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 116.6 | 179.2 | -50.2 | -54.5 | 0 | 0 | 0 | 108.1 | T513 G534 V539 H556 L563 V581 A582 | T513-I560 WeakPolarHBondContact CB-O 3.1Å; T513-I560 PolarHBondContact OG1-O 2.7Å; G534-I560 PolarHBondContact O-N 3.33Å; V539-I560 HydrophobicContact CG2-CD1 3.91Å; V539-I560 HydrophobicContact CG2-CG1 3.85Å; V539-I560 HydrophobicContact CG2-CG2 4.2Å; H556-I560 HydrophobicContact CB-CD1 3.94Å; H556-I560 WeakPolarHBondContact CD2-CD1 3.39Å; I560-L563 HydrophobicContact CG2-CD2 4.34Å; I560-L563 HydrophobicContact CG2-CG 4.43Å; I560-V581 CarbonylContact C-O 3.58Å; I560-A582 HydrophobicContact CD1-CB 4.2Å |
| 561 | S | 91.4 | Very high | 91.9 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -36.7 | -179.3 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | E559 V581 | E559-S561 PolarHBondContact O-N 2.9Å; S561-V581 PolarHBondContact N-O 2.85Å; S561-V581 PolarHBondContact OG-O 3.3Å |
| 562 | Q | 92.3 | Very high | 91.2 | Very high | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.3 | -173.7 | -162.8 | 178.5 | -3.8 | 0 | 0 | 112.9 | I564 V581 | Q562-I564 HydrophobicContact CG-CD1 4.2Å; Q562-I564 HydrophobicContact CG-CG1 3.84Å; Q562-V581 HydrophobicContact CB-CB 4.09Å; Q562-V581 HydrophobicContact CB-CG2 4.13Å; Q562-V581 PolarHBondContact N-O 3.32Å; Q562-V581 PolarHBondContact O-N 2.82Å |
| 563 | L | 95.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.1 | 170.2 | -68.5 | 168.2 | 0 | 0 | 0 | 109.6 | L516 V531 V539 I560 V578 C579 | L516-L563 HydrophobicContact CB-CB 4.03Å; L516-L563 HydrophobicContact CB-CD1 4.24Å; L516-L563 HydrophobicContact CD2-CB 3.93Å; V531-L563 HydrophobicContact CB-CD1 4.47Å; V531-L563 HydrophobicContact CG1-CD1 3.92Å; V531-L563 HydrophobicContact CG1-CD2 4.36Å; V539-L563 HydrophobicContact CG1-CD2 3.95Å; V539-L563 HydrophobicContact CG2-CD2 4.24Å; I560-L563 HydrophobicContact CG2-CD2 4.34Å; I560-L563 HydrophobicContact CG2-CG 4.43Å; L563-V578 HydrophobicContact CB-CG1 4.35Å; L563-V578 HydrophobicContact CD2-CG1 4.02Å; L563-C579 CarbonylContact C-O 3.57Å; L563-C579 WeakPolarHBondContact CA-O 3.43Å |
| 564 | I | 93.8 | Very high | 90 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.1 | -173.3 | -50.9 | 173.1 | 0 | 0 | 0 | 110 | Q562 C579 V581 I611 | Q562-I564 HydrophobicContact CG-CD1 4.2Å; Q562-I564 HydrophobicContact CG-CG1 3.84Å; I564-C579 HydrophobicContact CB-CB 4.14Å; I564-C579 PolarHBondContact N-O 2.88Å; I564-C579 WeakPolarHBondContact O-CB 3.1Å; I564-C579 PolarHBondContact O-N 3.39Å; I564-V581 HydrophobicContact CD1-CG2 4.42Å; I564-I611 HydrophobicContact CD1-CB 4.4Å; I564-I611 HydrophobicContact CD1-CD1 4.18Å |
| 565 | V | 92.7 | Very high | 89.6 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -88 | 128.7 | 172.1 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | L516 P518 V521 R524 Y525 | L516-V565 HydrophobicContact CD1-CG2 4.34Å; L516-V565 HydrophobicContact CD2-CG2 3.88Å; P518-V565 HydrophobicContact CB-CG2 4.21Å; V521-V565 HydrophobicContact CB-CB 4.31Å; V521-V565 HydrophobicContact CB-CG2 4.01Å; V521-V565 HydrophobicContact CG1-CB 3.91Å; V521-V565 HydrophobicContact CG1-CG1 4.19Å; V521-V565 HydrophobicContact CG1-CG2 4.15Å; V521-V565 HydrophobicContact CG2-CG2 4.3Å; R524-V565 VanDerWaalsContact NH2-CG1 3.32Å; Y525-V565 HydrophobicContact CE2-CG1 3.52Å; Y525-V565 HydrophobicContact CE2-CG2 4.34Å |
| 566 | P | 91.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 157.2 | 175.3 | 19.5 | -25.1 | 0 | 0 | 0 | 112.2 | R524 V574 C577 W613 | R524-P566 VanDerWaalsContact CZ-O 3.29Å; R524-P566 PolarHBondContact NH1-O 3.38Å; R524-P566 PolarHBondContact NH2-O 3.2Å; P566-V574 HydrophobicContact CB-CG1 3.95Å; P566-V574 HydrophobicContact CG-CG1 4.12Å; P566-V574 WeakPolarHBondContact CG-O 3.47Å; P566-C577 WeakPolarHBondContact CD-O 3.48Å; P566-C577 VanDerWaalsContact CG-O 3.25Å; P566-C577 WeakPolarHBondContact CG-O 3.21Å; P566-W613 HydrophobicContact CB-CE3 4.28Å; P566-W613 HydrophobicContact CB-CH2 3.7Å; P566-W613 HydrophobicContact CB-CZ2 4.15Å; P566-W613 HydrophobicContact CB-CZ3 3.77Å |
| 567 | P | 89.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 47 Ų | 47 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 156.1 | 173.1 | -26.6 | 34.9 | 0 | 0 | 0 | 114.2 | N569 C570 W613 P615 | P567-N569 WeakPolarHBondContact CB-OD1 3.35Å; P567-C570 WeakPolarHBondContact O-CB 3.42Å; P567-C570 PolarHBondContact O-N 2.72Å; P567-W613 VanDerWaalsContact CD-CG 3.41Å; P567-W613 HydrophobicContact CG-CB 3.55Å; P567-W613 HydrophobicContact CG-CD2 4.14Å; P567-W613 HydrophobicContact CG-CG 3.59Å; P567-P615 HydrophobicContact CB-CG 3.84Å; P567-P615 HydrophobicContact CG-CG 3.92Å |
| 568 | E | 83.6 | Confident | 89.3 | Confident | 117 Ų | 117 | 44.5 Ų | 44.5 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.7 | -177.6 | -69.5 | -172.8 | 165.4 | 0 | 0 | 113.7 | S522 R524 C570 Q575 | S522-E568 WeakPolarHBondContact CB-OE1 3.48Å; S522-E568 PolarHBondContact OG-OE1 2.95Å; R524-E568 VanDerWaalsContact NH1-CG 3.29Å; E568-C570 VanDerWaalsContact C-N 3.26Å; E568-C570 PolarHBondContact O-N 3.35Å; E568-Q575 PolarHBondContact O-NE2 3.03Å |
| 569 | N | 84.8 | Confident | 89.5 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7.7 | 179 | 61.7 | -20.3 | 0 | 0 | 0 | 114 | P567 P615 | P567-N569 WeakPolarHBondContact CB-OD1 3.35Å; N569-P615 HydrophobicContact CB-CB 4.41Å; N569-P615 VanDerWaalsContact OD1-CB 3.32Å; N569-P615 WeakPolarHBondContact OD1-CB 3.42Å; N569-P615 WeakPolarHBondContact OD1-CG 3.35Å |
| 570 | C | 84.4 | Confident | 89.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -65.2 | 166 | 171.2 | -75 | 0 | 0 | 0 | 0 | 112 | P567 E568 V574 Q575 | P567-C570 WeakPolarHBondContact O-CB 3.42Å; P567-C570 PolarHBondContact O-N 2.72Å; E568-C570 VanDerWaalsContact C-N 3.26Å; E568-C570 PolarHBondContact O-N 3.35Å; C570-V574 HydrophobicContact CB-CB 4.11Å; C570-V574 HydrophobicContact CB-CG1 4.13Å; C570-Q575 VanDerWaalsContact O-CG 3.32Å; C570-Q575 WeakPolarHBondContact O-CG 3.23Å; C570-Q575 PolarHBondContact O-NE2 3.45Å |
| 571 | S | 83.1 | Confident | 89.6 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | trans | -58.3 | 151.7 | 175 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | R573 V574 Q575 D635 | S571-R573 PolarHBondContact O-N 3.23Å; S571-V574 PolarHBondContact O-N 3.19Å; S571-Q575 WeakPolarHBondContact O-CG 3.46Å; S571-Q575 PolarHBondContact O-N 3.28Å; S571-D635 WeakPolarHBondContact CB-OD1 3.34Å; S571-D635 PolarHBondContact OG-OD1 3.46Å | ||
| 572 | T | 80.7 | Confident | 89.8 | Confident | 115 Ų | 115 | 37.5 Ų | 37.5 | 71% | 0.706 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -55.8 | -26.7 | -177 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 573 | R | 82.3 | Confident | 89.8 | Confident | 107 Ų | 107 | 35.5 Ų | 35.5 | 40% | 0.404 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.6 | -40.6 | 175.2 | -172.1 | 175.5 | 175.8 | -157.7 | -10 | 112.5 | S571 C577 I598 D635 | S571-R573 PolarHBondContact O-N 3.23Å; R573-C577 PolarHBondContact O-SG 2.87Å; R573-C577 VanDerWaalsContact O-SG 3.33Å; R573-I598 HydrophobicContact CG-CD1 4.31Å; R573-I598 PolarHBondContact NH2-O 2.89Å; R573-D635 PolarHBondContact NH1-O 3.07Å |
| 574 | V | 86.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -85.7 | -25.4 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | P566 C570 S571 H576 C577 L589 I598 W613 M634 | P566-V574 HydrophobicContact CB-CG1 3.95Å; P566-V574 HydrophobicContact CG-CG1 4.12Å; P566-V574 WeakPolarHBondContact CG-O 3.47Å; C570-V574 HydrophobicContact CB-CB 4.11Å; C570-V574 HydrophobicContact CB-CG1 4.13Å; S571-V574 PolarHBondContact O-N 3.19Å; V574-H576 PolarHBondContact O-N 3.02Å; V574-H576 VanDerWaalsContact O-N 3.09Å; V574-C577 VanDerWaalsContact O-CB 3.25Å; V574-C577 WeakPolarHBondContact O-CB 3.23Å; V574-C577 PolarHBondContact O-N 3.39Å; V574-L589 HydrophobicContact CG1-CD1 4.3Å; V574-L589 HydrophobicContact CG2-CD1 4.48Å; V574-I598 HydrophobicContact CG2-CD1 3.94Å; V574-W613 HydrophobicContact CG1-CZ3 4.46Å; V574-M634 HydrophobicContact CG2-CB 4.11Å |
| 575 | Q | 85.6 | Confident | 89.8 | Confident | 56 Ų | 56 | 38 Ų | 38 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -51.2 | -38.1 | -177.7 | -80.9 | 174 | 4.3 | 0 | 0 | 113.8 | R524 Y525 E568 C570 S571 | R524-Q575 VanDerWaalsContact CZ-O 3.26Å; R524-Q575 PolarHBondContact NE-O 3.16Å; R524-Q575 PolarHBondContact NH2-O 3.37Å; R524-Q575 VanDerWaalsContact NH2-O 3.11Å; Y525-Q575 PolarHBondContact OH-O 2.81Å; E568-Q575 PolarHBondContact O-NE2 3.03Å; C570-Q575 VanDerWaalsContact O-CG 3.32Å; C570-Q575 WeakPolarHBondContact O-CG 3.23Å; C570-Q575 PolarHBondContact O-NE2 3.45Å; S571-Q575 WeakPolarHBondContact O-CG 3.46Å; S571-Q575 PolarHBondContact O-N 3.28Å |
| 576 | H | 88.7 | Confident | 89.9 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 17.9 | 178.8 | -63.1 | -69.5 | 0 | 0 | 0 | 114.3 | R524 V574 L592 R593 | R524-H576 PolarHBondContact O-CE1 3.28Å; V574-H576 PolarHBondContact O-N 3.02Å; V574-H576 VanDerWaalsContact O-N 3.09Å; H576-L592 PolarHBondContact O-N 2.87Å; H576-R593 HydrophobicContact CB-CB 4.2Å; H576-R593 VanDerWaalsContact CD2-CZ 3.46Å; H576-R593 PolarHBondContact CD2-NH2 2.85Å; H576-R593 PolarHBondContact CE1-NH2 2.69Å; H576-R593 PolarHBondContact NE2-NH2 3.4Å |
| 577 | C | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 159.5 | 178.7 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | Y525 P566 R573 V574 L590 S591 I598 | Y525-C577 PolarHBondContact OH-O 2.86Å; P566-C577 WeakPolarHBondContact CD-O 3.48Å; P566-C577 VanDerWaalsContact CG-O 3.25Å; P566-C577 WeakPolarHBondContact CG-O 3.21Å; R573-C577 PolarHBondContact O-SG 2.87Å; R573-C577 VanDerWaalsContact O-SG 3.33Å; V574-C577 VanDerWaalsContact O-CB 3.25Å; V574-C577 WeakPolarHBondContact O-CB 3.23Å; V574-C577 PolarHBondContact O-N 3.39Å; C577-L590 CarbonylContact C-O 3.57Å; C577-L590 WeakPolarHBondContact CA-O 3.37Å; C577-S591 WeakPolarHBondContact SG-CA 3.3Å; C577-I598 HydrophobicContact CB-CD1 4.38Å; C577-I598 WeakPolarHBondContact SG-CD1 3.43Å |
| 578 | V | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138 | 163 | 170.8 | 0 | 0 | 0 | 0 | 107.7 | L516 P518 Y525 L563 L590 L592 | L516-V578 HydrophobicContact CD2-CG1 3.84Å; L516-V578 HydrophobicContact CD2-CG2 4.34Å; P518-V578 HydrophobicContact CG-CG2 4.28Å; Y525-V578 HydrophobicContact CE1-CG2 4.45Å; L563-V578 HydrophobicContact CB-CG1 4.35Å; L563-V578 HydrophobicContact CD2-CG1 4.02Å; V578-L590 PolarHBondContact N-O 2.79Å; V578-L590 PolarHBondContact O-N 2.81Å; V578-L592 HydrophobicContact CG2-CD1 3.69Å; V578-L592 HydrophobicContact CG2-CD2 4.27Å; V578-L592 HydrophobicContact CG2-CG 4.01Å |
| 579 | C | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.6 | 175.1 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | L563 I564 V587 G588 L589 W613 | L563-C579 CarbonylContact C-O 3.57Å; L563-C579 WeakPolarHBondContact CA-O 3.43Å; I564-C579 HydrophobicContact CB-CB 4.14Å; I564-C579 PolarHBondContact N-O 2.88Å; I564-C579 WeakPolarHBondContact O-CB 3.1Å; I564-C579 PolarHBondContact O-N 3.39Å; C579-V587 WeakPolarHBondContact SG-CG1 3.47Å; C579-G588 CarbonylContact C-O 3.43Å; C579-G588 VanDerWaalsContact CA-O 3.26Å; C579-G588 WeakPolarHBondContact CA-O 3.28Å; C579-L589 HydrophobicContact CB-CD2 3.8Å; C579-W613 HydrophobicContact CB-CH2 3.78Å; C579-W613 HydrophobicContact CB-CZ2 3.78Å |
| 580 | S | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.1 | 175.2 | 51 | 0 | 0 | 0 | 0 | 110.4 | H556 V587 G588 L590 | H556-S580 WeakPolarHBondContact NE2-CB 3.12Å; H556-S580 PolarHBondContact NE2-OG 3.47Å; S580-V587 CarbonylContact O-C 3.51Å; S580-V587 WeakPolarHBondContact O-CA 3.19Å; S580-G588 PolarHBondContact N-O 2.81Å; S580-G588 PolarHBondContact O-N 2.83Å; S580-G588 PolarHBondContact OG-O 2.79Å; S580-L590 WeakPolarHBondContact OG-CD1 3.18Å |
| 581 | V | 95.9 | Very high | 92 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.3 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 107.9 | I560 S561 Q562 I564 I608 I611 | I560-V581 CarbonylContact C-O 3.58Å; S561-V581 PolarHBondContact N-O 2.85Å; S561-V581 PolarHBondContact OG-O 3.3Å; Q562-V581 HydrophobicContact CB-CB 4.09Å; Q562-V581 HydrophobicContact CB-CG2 4.13Å; Q562-V581 PolarHBondContact N-O 3.32Å; Q562-V581 PolarHBondContact O-N 2.82Å; I564-V581 HydrophobicContact CD1-CG2 4.42Å; V581-I608 HydrophobicContact CG1-CB 4.21Å; V581-I608 HydrophobicContact CG1-CD1 3.82Å; V581-I608 HydrophobicContact CG1-CG2 4.29Å; V581-I611 HydrophobicContact CB-CD1 4.47Å; V581-I611 HydrophobicContact CG1-CD1 4.44Å; V581-I611 HydrophobicContact CG2-CD1 3.24Å |
| 582 | A | 95.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H556 E559 I560 D584 H585 S586 | H556-A582 HydrophobicContact CB-CB 3.76Å; E559-A582 CarbonylContact O-C 3.51Å; E559-A582 WeakPolarHBondContact O-CA 3.42Å; I560-A582 HydrophobicContact CD1-CB 4.2Å; A582-D584 WeakPolarHBondContact CB-OD1 3.4Å; A582-D584 PolarHBondContact O-N 2.98Å; A582-H585 PolarHBondContact O-N 3.43Å; A582-H585 VanDerWaalsContact O-N 3.12Å; A582-S586 PolarHBondContact N-O 2.85Å; A582-S586 VanDerWaalsContact N-O 3.08Å |
| 583 | S | 93.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 39% | 0.392 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -11.7 | 179.4 | 68 | 0 | 0 | 0 | 0 | 114 | E559 H585 | E559-S583 WeakPolarHBondContact CG-OG 3.41Å; E559-S583 PolarHBondContact N-OG 3.12Å; E559-S583 VanDerWaalsContact N-OG 3.12Å; E559-S583 PolarHBondContact O-N 3.48Å; S583-H585 PolarHBondContact O-CD2 3.19Å; S583-H585 PolarHBondContact O-N 2.86Å |
| 584 | D | 93.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 27.3 Ų | 27.3 | 32% | 0.321 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 11.9 | 168.6 | 68.8 | -6 | 0 | 0 | 0 | 113 | G557 G558 A582 S586 | G557-D584 WeakPolarHBondContact CA-OD2 3.32Å; G557-D584 PolarHBondContact N-OD2 2.82Å; G558-D584 PolarHBondContact N-OD2 3.4Å; A582-D584 WeakPolarHBondContact CB-OD1 3.4Å; A582-D584 PolarHBondContact O-N 2.98Å; D584-S586 PolarHBondContact O-N 3.45Å; D584-S586 VanDerWaalsContact OD1-CB 3.29Å; D584-S586 WeakPolarHBondContact OD1-CB 3.21Å; D584-S586 PolarHBondContact OD1-N 2.85Å; D584-S586 PolarHBondContact OD1-OG 3.14Å; D584-S586 PolarHBondContact OD2-OG 3.47Å; D584-S586 VanDerWaalsContact OD2-OG 3.11Å |
| 585 | H | 94.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 63.2 | 22.5 | -178.5 | -40.6 | 158.7 | 0 | 0 | 0 | 113.3 | A582 S583 H604 L605 P607 I608 | A582-H585 PolarHBondContact O-N 3.43Å; A582-H585 VanDerWaalsContact O-N 3.12Å; S583-H585 PolarHBondContact O-CD2 3.19Å; S583-H585 PolarHBondContact O-N 2.86Å; H585-H604 HydrophobicContact CB-CB 3.98Å; H585-H604 WeakPolarHBondContact O-CB 3.44Å; H585-H604 PolarHBondContact O-ND1 3.22Å; H585-L605 PolarHBondContact CE1-O 2.83Å; H585-L605 PolarHBondContact ND1-O 2.84Å; H585-P607 VanDerWaalsContact CD2-CA 3.43Å; H585-P607 WeakPolarHBondContact CD2-CA 3.23Å; H585-P607 VanDerWaalsContact CE1-CD 3.49Å; H585-P607 WeakPolarHBondContact CE1-CD 3.45Å; H585-P607 WeakPolarHBondContact NE2-CD 3.48Å; H585-P607 WeakPolarHBondContact NE2-CG 3.45Å; H585-I608 WeakPolarHBondContact O-CD1 3.5Å |
| 586 | S | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -100.7 | 150.4 | 175.9 | 71.5 | 0 | 0 | 0 | 0 | 113 | H556 A582 D584 A601 | H556-S586 PolarHBondContact ND1-OG 2.89Å; A582-S586 PolarHBondContact N-O 2.85Å; A582-S586 VanDerWaalsContact N-O 3.08Å; D584-S586 PolarHBondContact O-N 3.45Å; D584-S586 VanDerWaalsContact OD1-CB 3.29Å; D584-S586 WeakPolarHBondContact OD1-CB 3.21Å; D584-S586 PolarHBondContact OD1-N 2.85Å; D584-S586 PolarHBondContact OD1-OG 3.14Å; D584-S586 PolarHBondContact OD2-OG 3.47Å; D584-S586 VanDerWaalsContact OD2-OG 3.11Å; S586-A601 CarbonylContact C-O 3.59Å; S586-A601 VanDerWaalsContact CA-O 3.26Å; S586-A601 WeakPolarHBondContact CA-O 3.25Å | ||
| 587 | V | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.9 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | C579 S580 L600 A601 I608 I611 L620 V622 | C579-V587 WeakPolarHBondContact SG-CG1 3.47Å; S580-V587 CarbonylContact O-C 3.51Å; S580-V587 WeakPolarHBondContact O-CA 3.19Å; V587-L600 CarbonylContact O-C 3.59Å; V587-L600 WeakPolarHBondContact O-CA 3.27Å; V587-A601 HydrophobicContact CB-CB 4.27Å; V587-A601 PolarHBondContact N-O 3.33Å; V587-A601 PolarHBondContact O-N 3.43Å; V587-I608 HydrophobicContact CG2-CD1 3.38Å; V587-I611 HydrophobicContact CG1-CD1 4.17Å; V587-I611 HydrophobicContact CG2-CD1 4.03Å; V587-L620 HydrophobicContact CG1-CD2 4.06Å; V587-V622 HydrophobicContact CG2-CG1 4.34Å; V587-V622 HydrophobicContact CG2-CG2 4.19Å |
| 588 | G | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H556 C579 S580 M599 | H556-G588 PolarHBondContact CE1-N 3.41Å; C579-G588 CarbonylContact C-O 3.43Å; C579-G588 VanDerWaalsContact CA-O 3.26Å; C579-G588 WeakPolarHBondContact CA-O 3.28Å; S580-G588 PolarHBondContact N-O 2.81Å; S580-G588 PolarHBondContact O-N 2.83Å; S580-G588 PolarHBondContact OG-O 2.79Å; G588-M599 CarbonylContact C-O 3.53Å; G588-M599 WeakPolarHBondContact CA-O 3.48Å |
| 589 | L | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.5 | 164.9 | -63.5 | 179.2 | 0 | 0 | 0 | 109 | V574 C579 C597 I598 M599 W613 M634 | V574-L589 HydrophobicContact CG1-CD1 4.3Å; V574-L589 HydrophobicContact CG2-CD1 4.48Å; C579-L589 HydrophobicContact CB-CD2 3.8Å; L589-C597 WeakPolarHBondContact O-CA 3.35Å; L589-I598 HydrophobicContact CB-CD1 3.94Å; L589-I598 HydrophobicContact CB-CG1 3.58Å; L589-I598 HydrophobicContact CD1-CD1 4.34Å; L589-I598 VanDerWaalsContact O-CG1 3.28Å; L589-I598 WeakPolarHBondContact O-CG1 3.43Å; L589-I598 PolarHBondContact O-N 2.91Å; L589-M599 HydrophobicContact CB-CB 4.09Å; L589-M599 HydrophobicContact CD1-CB 4.1Å; L589-M599 HydrophobicContact CD1-CE 3.51Å; L589-M599 HydrophobicContact CD1-SD 4.06Å; L589-M599 HydrophobicContact CG-CB 4.26Å; L589-M599 HydrophobicContact CG-CE 3.83Å; L589-M599 PolarHBondContact N-O 3.04Å; L589-W613 HydrophobicContact CD2-CH2 3.65Å; L589-W613 HydrophobicContact CD2-CZ3 4.08Å; L589-M634 HydrophobicContact CD1-CB 4.49Å |
| 590 | L | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.2 | -171 | -53.5 | 179.8 | 0 | 0 | 0 | 110.3 | V539 F553 V555 C577 V578 S580 L592 C597 | V539-L590 HydrophobicContact CB-CD1 3.86Å; V539-L590 HydrophobicContact CG1-CD1 3.84Å; V539-L590 HydrophobicContact CG2-CD1 4Å; F553-L590 HydrophobicContact CB-CD1 4.04Å; F553-L590 HydrophobicContact CB-CD2 4.3Å; F553-L590 HydrophobicContact CD1-CD2 4Å; F553-L590 HydrophobicContact CD2-CB 4.36Å; F553-L590 HydrophobicContact CD2-CD1 3.85Å; F553-L590 HydrophobicContact CE1-CB 4.37Å; F553-L590 HydrophobicContact CE1-CD2 4.47Å; F553-L590 HydrophobicContact CE2-CB 4.15Å; F553-L590 HydrophobicContact CE2-CD1 4.43Å; F553-L590 HydrophobicContact CG-CD1 3.93Å; F553-L590 HydrophobicContact CG-CD2 4.1Å; F553-L590 HydrophobicContact CG-CG 4.43Å; F553-L590 HydrophobicContact CZ-CB 4.15Å; V555-L590 HydrophobicContact CG2-CD2 3.95Å; C577-L590 CarbonylContact C-O 3.57Å; C577-L590 WeakPolarHBondContact CA-O 3.37Å; V578-L590 PolarHBondContact N-O 2.79Å; V578-L590 PolarHBondContact O-N 2.81Å; S580-L590 WeakPolarHBondContact OG-CD1 3.18Å; L590-L592 PolarHBondContact O-N 3.23Å; L590-C597 HydrophobicContact CD2-CB 3.82Å |
| 591 | S | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.7 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | C577 R593 E594 R595 K596 | C577-S591 WeakPolarHBondContact SG-CA 3.3Å; S591-R593 VanDerWaalsContact C-N 3.29Å; S591-E594 WeakPolarHBondContact OG-CB 3.38Å; S591-E594 PolarHBondContact OG-N 2.55Å; S591-E594 VanDerWaalsContact OG-N 3.08Å; S591-R595 WeakPolarHBondContact O-CA 3.44Å; S591-R595 PolarHBondContact O-N 2.78Å; S591-K596 WeakPolarHBondContact CB-O 3.26Å; S591-K596 PolarHBondContact N-O 2.79Å; S591-K596 PolarHBondContact O-N 2.91Å |
| 592 | L | 92.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.2 | 176.5 | -60.2 | -171.2 | 0 | 0 | 0 | 111.9 | P518 Y525 V531 V541 F553 H576 V578 L590 | P518-L592 HydrophobicContact CG-CD1 4.22Å; Y525-L592 HydrophobicContact CD1-CD1 3.79Å; Y525-L592 HydrophobicContact CE1-CD1 3.91Å; V531-L592 HydrophobicContact CG2-CD1 4.07Å; V531-L592 HydrophobicContact CG2-CD2 4.14Å; V541-L592 HydrophobicContact CG2-CD2 3.72Å; F553-L592 HydrophobicContact CE2-CD2 4.47Å; H576-L592 PolarHBondContact O-N 2.87Å; V578-L592 HydrophobicContact CG2-CD1 3.69Å; V578-L592 HydrophobicContact CG2-CD2 4.27Å; V578-L592 HydrophobicContact CG2-CG 4.01Å; L590-L592 PolarHBondContact O-N 3.23Å |
| 593 | R | 89.3 | Confident | 92.9 | Very high | 176 Ų | 176 | 54.4 Ų | 54.4 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -52.9 | 176.8 | -178 | -178.6 | -71.5 | -173.2 | -3.6 | 111.5 | H576 S591 R595 | H576-R593 HydrophobicContact CB-CB 4.2Å; H576-R593 VanDerWaalsContact CD2-CZ 3.46Å; H576-R593 PolarHBondContact CD2-NH2 2.85Å; H576-R593 PolarHBondContact CE1-NH2 2.69Å; H576-R593 PolarHBondContact NE2-NH2 3.4Å; S591-R593 VanDerWaalsContact C-N 3.29Å; R593-R595 VanDerWaalsContact C-N 3.33Å |
| 594 | E | 89.8 | Confident | 92.9 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.3 | -176.3 | -62.4 | -178.8 | -165.7 | 0 | 0 | 113 | S591 K596 | S591-E594 WeakPolarHBondContact OG-CB 3.38Å; S591-E594 PolarHBondContact OG-N 2.55Å; S591-E594 VanDerWaalsContact OG-N 3.08Å; E594-K596 HydrophobicContact CB-CB 4.43Å; E594-K596 PolarHBondContact O-N 2.89Å |
| 595 | R | 93.4 | Very high | 92.7 | Very high | 131 Ų | 131 | 55.7 Ų | 55.7 | 49% | 0.494 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 37.8 | -174.3 | -54 | -179 | -175 | -178.2 | 2.2 | 112.3 | H551 S591 R593 | H551-R595 PolarHBondContact CE1-O 2.78Å; S591-R595 WeakPolarHBondContact O-CA 3.44Å; S591-R595 PolarHBondContact O-N 2.78Å; R593-R595 VanDerWaalsContact C-N 3.33Å |
| 596 | K | 92.5 | Very high | 92.6 | Very high | 136 Ų | 136 | 57.9 Ų | 57.9 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.9 | 179.9 | -70.5 | 177.9 | -176.2 | 177 | 0 | 110.9 | S591 E594 I598 | S591-K596 WeakPolarHBondContact CB-O 3.26Å; S591-K596 PolarHBondContact N-O 2.79Å; S591-K596 PolarHBondContact O-N 2.91Å; E594-K596 HydrophobicContact CB-CB 4.43Å; E594-K596 PolarHBondContact O-N 2.89Å; K596-I598 PolarHBondContact O-N 3.32Å |
| 597 | C | 93.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.7 | 164.4 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | V555 L589 L590 M599 | V555-C597 HydrophobicContact CG1-CB 3.71Å; L589-C597 WeakPolarHBondContact O-CA 3.35Å; L590-C597 HydrophobicContact CD2-CB 3.82Å; C597-M599 PolarHBondContact SG-O 3.37Å |
| 598 | I | 92 | Very high | 92.2 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -24.5 | -179 | 59.5 | 156.8 | 0 | 0 | 0 | 111.9 | R573 V574 C577 L589 K596 | R573-I598 HydrophobicContact CG-CD1 4.31Å; R573-I598 PolarHBondContact NH2-O 2.89Å; V574-I598 HydrophobicContact CG2-CD1 3.94Å; C577-I598 HydrophobicContact CB-CD1 4.38Å; C577-I598 WeakPolarHBondContact SG-CD1 3.43Å; L589-I598 HydrophobicContact CB-CD1 3.94Å; L589-I598 HydrophobicContact CB-CG1 3.58Å; L589-I598 HydrophobicContact CD1-CD1 4.34Å; L589-I598 VanDerWaalsContact O-CG1 3.28Å; L589-I598 WeakPolarHBondContact O-CG1 3.43Å; L589-I598 PolarHBondContact O-N 2.91Å; K596-I598 PolarHBondContact O-N 3.32Å |
| 599 | M | 92.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 138 | 179.7 | -174.6 | 176.9 | 89.1 | 0 | 0 | 110.2 | G588 L589 C597 A601 L620 | G588-M599 CarbonylContact C-O 3.53Å; G588-M599 WeakPolarHBondContact CA-O 3.48Å; L589-M599 HydrophobicContact CB-CB 4.09Å; L589-M599 HydrophobicContact CD1-CB 4.1Å; L589-M599 HydrophobicContact CD1-CE 3.51Å; L589-M599 HydrophobicContact CD1-SD 4.06Å; L589-M599 HydrophobicContact CG-CB 4.26Å; L589-M599 HydrophobicContact CG-CE 3.83Å; L589-M599 PolarHBondContact N-O 3.04Å; C597-M599 PolarHBondContact SG-O 3.37Å; M599-A601 HydrophobicContact CE-CB 4.49Å; M599-L620 HydrophobicContact CE-CB 4.43Å; M599-L620 HydrophobicContact CE-CD2 3.41Å; M599-L620 VanDerWaalsContact CE-CD2 3.41Å |
| 600 | L | 94.4 | Very high | 91.6 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 109.7 | 169.8 | -179.9 | 66.8 | 0 | 0 | 0 | 109.2 | V555 V587 | V555-L600 HydrophobicContact CG2-CD1 4.43Å; V587-L600 CarbonylContact O-C 3.59Å; V587-L600 WeakPolarHBondContact O-CA 3.27Å |
| 601 | A | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 96.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S586 V587 M599 H604 W632 | S586-A601 CarbonylContact C-O 3.59Å; S586-A601 VanDerWaalsContact CA-O 3.26Å; S586-A601 WeakPolarHBondContact CA-O 3.25Å; V587-A601 HydrophobicContact CB-CB 4.27Å; V587-A601 PolarHBondContact N-O 3.33Å; V587-A601 PolarHBondContact O-N 3.43Å; M599-A601 HydrophobicContact CE-CB 4.49Å; A601-H604 PolarHBondContact O-CE1 2.8Å; A601-H604 PolarHBondContact O-ND1 3.39Å; A601-W632 HydrophobicContact CB-CD2 3.66Å; A601-W632 VanDerWaalsContact CB-CE2 3.48Å; A601-W632 HydrophobicContact CB-CE3 4.01Å; A601-W632 HydrophobicContact CB-CG 4.15Å; A601-W632 HydrophobicContact CB-CH2 4.04Å; A601-W632 HydrophobicContact CB-CZ2 3.69Å; A601-W632 HydrophobicContact CB-CZ3 4.19Å |
| 602 | S | 89.5 | Confident | 91.4 | Very high | 77 Ų | 77 | 74.6 Ų | 74.6 | 54% | 0.538 | 35% | 0.353 | S | S | . | . | trans | -121.5 | 24.7 | -169.8 | 58 | 0 | 0 | 0 | 0 | 115 | ||||
| 603 | R | 86.6 | Confident | 91.3 | Very high | 179 Ų | 179 | 75 Ų | 75 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | trans | -100.4 | 5.3 | -177.4 | -65.9 | -176 | 178.4 | -128 | 1.5 | 114.7 | W632 | R603-W632 HydrophobicContact CB-CH2 4.19Å; R603-W632 HydrophobicContact CB-CZ2 4.02Å; R603-W632 HydrophobicContact CG-CH2 4.01Å; R603-W632 HydrophobicContact CG-CZ2 4.36Å | ||
| 604 | H | 92.2 | Very high | 91.4 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | trans | -78.5 | 127.7 | -175.7 | -45.3 | 107.8 | 0 | 0 | 0 | 110.5 | H585 A601 Y630 W632 | H585-H604 HydrophobicContact CB-CB 3.98Å; H585-H604 WeakPolarHBondContact O-CB 3.44Å; H585-H604 PolarHBondContact O-ND1 3.22Å; A601-H604 PolarHBondContact O-CE1 2.8Å; A601-H604 PolarHBondContact O-ND1 3.39Å; H604-Y630 AromaticContact CD2-CD1 3.77Å; H604-Y630 AromaticContact CD2-CD2 3.53Å; H604-Y630 AromaticContact CD2-CG 3.4Å; H604-Y630 AromaticContact NE2-CG 3.92Å; H604-W632 AromaticContact CE1-NE1 3.59Å; H604-W632 AromaticContact NE2-CD1 3.9Å; H604-W632 AromaticContact NE2-CE2 3.77Å; H604-W632 AromaticContact NE2-NE1 2.93Å; H604-W632 PolarHBondContact NE2-NE1 2.91Å | ||
| 605 | L | 90.3 | Very high | 91.3 | Very high | 132 Ų | 132 | 66.6 Ų | 66.6 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -82.3 | -23.4 | -178.6 | -64.2 | 176.9 | 0 | 0 | 0 | 113.3 | H585 | H585-L605 PolarHBondContact CE1-O 2.83Å; H585-L605 PolarHBondContact ND1-O 2.84Å |
| 606 | F | 91.6 | Very high | 90.9 | Very high | 91 Ų | 91 | 65 Ų | 65 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -124.1 | 155.4 | -173.8 | -64.9 | -85.1 | 0 | 0 | 0 | 111.4 | I608 C624 D626 | F606-I608 PolarHBondContact O-N 2.85Å; F606-C624 HydrophobicContact CB-CB 4Å; F606-C624 PolarHBondContact O-SG 3.1Å; F606-C624 VanDerWaalsContact O-SG 3.36Å; F606-D626 HydrophobicContact CB-CB 4.26Å; F606-D626 HydrophobicContact CD1-CB 3.95Å; F606-D626 HydrophobicContact CD2-CB 3.66Å; F606-D626 WeakPolarHBondContact CD2-OD2 3.37Å; F606-D626 HydrophobicContact CE1-CB 4.14Å; F606-D626 HydrophobicContact CE2-CB 3.86Å; F606-D626 WeakPolarHBondContact CE2-OD2 3.45Å; F606-D626 HydrophobicContact CG-CB 3.69Å; F606-D626 HydrophobicContact CZ-CB 4.1Å |
| 607 | P | 91.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | trans | -50.9 | 135.1 | 177.9 | -27 | 31 | 0 | 0 | 0 | 112.7 | H585 C624 S625 | H585-P607 VanDerWaalsContact CD2-CA 3.43Å; H585-P607 WeakPolarHBondContact CD2-CA 3.23Å; H585-P607 VanDerWaalsContact CE1-CD 3.49Å; H585-P607 WeakPolarHBondContact CE1-CD 3.45Å; H585-P607 WeakPolarHBondContact NE2-CD 3.48Å; H585-P607 WeakPolarHBondContact NE2-CG 3.45Å; P607-C624 CarbonylContact O-C 3.56Å; P607-C624 WeakPolarHBondContact O-CA 3.45Å; P607-S625 VanDerWaalsContact CD-OG 3.32Å; P607-S625 WeakPolarHBondContact CD-OG 3.36Å; P607-S625 PolarHBondContact O-N 2.91Å; P607-S625 PolarHBondContact O-OG 2.85Å | ||
| 608 | I | 92.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 61 Ų | 61 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126 | 179 | -60.2 | 161.6 | 0 | 0 | 0 | 108.6 | V581 H585 V587 F606 I611 V622 | V581-I608 HydrophobicContact CG1-CB 4.21Å; V581-I608 HydrophobicContact CG1-CD1 3.82Å; V581-I608 HydrophobicContact CG1-CG2 4.29Å; H585-I608 WeakPolarHBondContact O-CD1 3.5Å; V587-I608 HydrophobicContact CG2-CD1 3.38Å; F606-I608 PolarHBondContact O-N 2.85Å; I608-I611 HydrophobicContact CG2-CD1 4.35Å; I608-I611 HydrophobicContact CG2-CG1 3.99Å; I608-V622 HydrophobicContact CB-CG1 4.31Å; I608-V622 HydrophobicContact CD1-CG1 4.15Å; I608-V622 HydrophobicContact CG1-CG1 3.78Å; I608-V622 HydrophobicContact CG2-CG1 3.66Å |
| 609 | Q | 88 | Confident | 90.5 | Very high | 143 Ų | 143 | 62.6 Ų | 62.6 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -37.1 | 176 | -76.4 | -168.9 | -13.7 | 0 | 0 | 112.7 | G623 S625 | Q609-G623 PolarHBondContact N-O 2.98Å; Q609-S625 VanDerWaalsContact CD-CA 3.49Å |
| 610 | V | 88.8 | Confident | 90.6 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143 | -173.8 | 66 | 0 | 0 | 0 | 0 | 111.6 | K612 G623 L652 | V610-K612 HydrophobicContact CG2-CD 4.26Å; V610-K612 HydrophobicContact CG2-CG 4.15Å; V610-G623 PolarHBondContact N-O 3.07Å; V610-G623 VanDerWaalsContact N-O 3.12Å; V610-G623 PolarHBondContact O-N 2.86Å; V610-L652 HydrophobicContact CG1-CD1 4.24Å; V610-L652 HydrophobicContact CG1-CD2 3.76Å |
| 611 | I | 93.3 | Very high | 90.6 | Very high | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.1 | 172.1 | -64.5 | 178.2 | 0 | 0 | 0 | 108 | I564 V581 V587 I608 W613 L620 V621 | I564-I611 HydrophobicContact CD1-CB 4.4Å; I564-I611 HydrophobicContact CD1-CD1 4.18Å; V581-I611 HydrophobicContact CB-CD1 4.47Å; V581-I611 HydrophobicContact CG1-CD1 4.44Å; V581-I611 HydrophobicContact CG2-CD1 3.24Å; V587-I611 HydrophobicContact CG1-CD1 4.17Å; V587-I611 HydrophobicContact CG2-CD1 4.03Å; I608-I611 HydrophobicContact CG2-CD1 4.35Å; I608-I611 HydrophobicContact CG2-CG1 3.99Å; I611-W613 HydrophobicContact CG2-CZ2 4.42Å; I611-L620 HydrophobicContact CG2-CD1 3.48Å; I611-L620 VanDerWaalsContact CG2-CD1 3.48Å; I611-L620 HydrophobicContact CG2-CG 4.49Å; I611-V621 WeakPolarHBondContact CA-O 3.5Å |
| 612 | K | 92.6 | Very high | 90.7 | Very high | 50 Ų | 50 | 59 Ų | 59 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 154.7 | 174.8 | -59.6 | -71.2 | -170.8 | 174.7 | 0 | 109.7 | V610 V621 L652 C655 D656 | V610-K612 HydrophobicContact CG2-CD 4.26Å; V610-K612 HydrophobicContact CG2-CG 4.15Å; K612-V621 HydrophobicContact CB-CB 4.2Å; K612-V621 PolarHBondContact N-O 2.93Å; K612-V621 PolarHBondContact O-N 2.97Å; K612-L652 HydrophobicContact CG-CD2 4.16Å; K612-C655 HydrophobicContact CB-CB 3.68Å; K612-C655 HydrophobicContact CD-CB 4.31Å; K612-C655 HydrophobicContact CG-CB 3.99Å; K612-D656 VanDerWaalsContact CE-OD1 3.27Å; K612-D656 WeakPolarHBondContact CE-OD1 3.1Å; K612-D656 IonicContact NZ-OD1 3.28Å; K612-D656 PolarHBondContact NZ-OD1 2.78Å; K612-D656 IonicContact NZ-OD2 3.78Å; K612-D656 PolarHBondContact NZ-OD2 3.47Å |
| 613 | W | 90.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.2 | -177.5 | -55.3 | 86.2 | 0 | 0 | 0 | 108.9 | P566 P567 V574 C579 L589 I611 P615 L620 M634 | P566-W613 HydrophobicContact CB-CE3 4.28Å; P566-W613 HydrophobicContact CB-CH2 3.7Å; P566-W613 HydrophobicContact CB-CZ2 4.15Å; P566-W613 HydrophobicContact CB-CZ3 3.77Å; P567-W613 VanDerWaalsContact CD-CG 3.41Å; P567-W613 HydrophobicContact CG-CB 3.55Å; P567-W613 HydrophobicContact CG-CD2 4.14Å; P567-W613 HydrophobicContact CG-CG 3.59Å; V574-W613 HydrophobicContact CG1-CZ3 4.46Å; C579-W613 HydrophobicContact CB-CH2 3.78Å; C579-W613 HydrophobicContact CB-CZ2 3.78Å; L589-W613 HydrophobicContact CD2-CH2 3.65Å; L589-W613 HydrophobicContact CD2-CZ3 4.08Å; I611-W613 HydrophobicContact CG2-CZ2 4.42Å; W613-P615 VanDerWaalsContact C-CD 3.5Å; W613-P615 HydrophobicContact CB-CG 4.25Å; W613-L620 HydrophobicContact CD2-CD1 3.9Å; W613-L620 HydrophobicContact CE3-CD1 3.71Å; W613-L620 HydrophobicContact CH2-CD1 3.91Å; W613-L620 HydrophobicContact CZ2-CD1 4.1Å; W613-L620 HydrophobicContact CZ3-CD1 3.72Å; W613-M634 HydrophobicContact CE3-SD 3.6Å; W613-M634 VanDerWaalsContact CE3-SD 3.6Å; W613-M634 HydrophobicContact CZ3-SD 3.73Å |
| 614 | R | 90.6 | Very high | 91.1 | Very high | 78 Ų | 78 | 47.1 Ų | 47.1 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 80.1 | 165.6 | -64.1 | -176.9 | 71.2 | 112.1 | 3.6 | 108.9 | A616 D617 D618 Y619 A654 C655 | R614-A616 VanDerWaalsContact C-N 3.3Å; R614-A616 PolarHBondContact O-N 3.36Å; R614-D617 HydrophobicContact CB-CB 4.23Å; R614-D617 IonicContact CZ-OD2 3.56Å; R614-D617 IonicContact NE-OD2 3.01Å; R614-D617 PolarHBondContact NE-OD2 2.83Å; R614-D617 IonicContact NH2-OD2 3.95Å; R614-D617 PolarHBondContact NH2-OD2 2.61Å; R614-D617 PolarHBondContact O-N 2.79Å; R614-D617 VanDerWaalsContact O-N 3.14Å; R614-D618 PolarHBondContact O-N 2.99Å; R614-D618 VanDerWaalsContact O-N 3.11Å; R614-Y619 PolarHBondContact N-O 2.91Å; R614-Y619 PolarHBondContact O-N 2.78Å; R614-A654 PolarHBondContact NH1-O 2.82Å; R614-A654 VanDerWaalsContact NH1-O 3.13Å; R614-C655 VanDerWaalsContact CG-SG 3.59Å |
| 615 | P | 87.3 | Confident | 91 | Very high | 26 Ų | 26 | 49 Ų | 49 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63 | -34.4 | -172.7 | -26.2 | 39.1 | 0 | 0 | 0 | 113.4 | P567 N569 W613 D617 D618 | P567-P615 HydrophobicContact CB-CG 3.84Å; P567-P615 HydrophobicContact CG-CG 3.92Å; N569-P615 HydrophobicContact CB-CB 4.41Å; N569-P615 VanDerWaalsContact OD1-CB 3.32Å; N569-P615 WeakPolarHBondContact OD1-CB 3.42Å; N569-P615 WeakPolarHBondContact OD1-CG 3.35Å; W613-P615 VanDerWaalsContact C-CD 3.5Å; W613-P615 HydrophobicContact CB-CG 4.25Å; P615-D617 VanDerWaalsContact C-N 3.27Å; P615-D617 PolarHBondContact O-N 3.42Å; P615-D618 PolarHBondContact O-N 2.78Å |
| 616 | A | 85.3 | Confident | 90.9 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 81% | 0.81 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -64.2 | -31.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R614 | R614-A616 VanDerWaalsContact C-N 3.3Å; R614-A616 PolarHBondContact O-N 3.36Å |
| 617 | D | 86.8 | Confident | 90.7 | Very high | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -98 | 1.1 | -179.5 | -59.8 | -42.3 | 0 | 0 | 0 | 112.5 | R614 P615 Y619 | R614-D617 HydrophobicContact CB-CB 4.23Å; R614-D617 IonicContact CZ-OD2 3.56Å; R614-D617 IonicContact NE-OD2 3.01Å; R614-D617 PolarHBondContact NE-OD2 2.83Å; R614-D617 IonicContact NH2-OD2 3.95Å; R614-D617 PolarHBondContact NH2-OD2 2.61Å; R614-D617 PolarHBondContact O-N 2.79Å; R614-D617 VanDerWaalsContact O-N 3.14Å; P615-D617 VanDerWaalsContact C-N 3.27Å; P615-D617 PolarHBondContact O-N 3.42Å; D617-Y619 VanDerWaalsContact C-N 3.28Å; D617-Y619 HydrophobicContact CB-CD2 3.42Å; D617-Y619 VanDerWaalsContact CB-CD2 3.42Å; D617-Y619 HydrophobicContact CB-CE2 3.74Å; D617-Y619 HydrophobicContact CB-CG 4.33Å; D617-Y619 WeakPolarHBondContact O-CD2 3.39Å; D617-Y619 PolarHBondContact O-N 2.81Å |
| 618 | D | 90.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.6 | -172.7 | -170.1 | 45.7 | 0 | 0 | 0 | 114 | R614 P615 Q633 M634 D635 | R614-D618 PolarHBondContact O-N 2.99Å; R614-D618 VanDerWaalsContact O-N 3.11Å; P615-D618 PolarHBondContact O-N 2.78Å; D618-Q633 CarbonylContact O-C 3.59Å; D618-Q633 WeakPolarHBondContact O-CA 3.41Å; D618-Q633 WeakPolarHBondContact OD2-CG 3.5Å; D618-M634 PolarHBondContact O-N 3.49Å; D618-M634 WeakPolarHBondContact OD1-CB 3.39Å; D618-D635 PolarHBondContact OD1-N 3.28Å; D618-D635 WeakPolarHBondContact OD2-CB 3.41Å; D618-D635 PolarHBondContact OD2-N 2.9Å |
| 619 | Y | 92.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.9 | 179.5 | -61 | -51.9 | 0 | 0 | 0 | 114.9 | R614 D617 V631 W632 Q633 D640 | R614-Y619 PolarHBondContact N-O 2.91Å; R614-Y619 PolarHBondContact O-N 2.78Å; D617-Y619 VanDerWaalsContact C-N 3.28Å; D617-Y619 HydrophobicContact CB-CD2 3.42Å; D617-Y619 VanDerWaalsContact CB-CD2 3.42Å; D617-Y619 HydrophobicContact CB-CE2 3.74Å; D617-Y619 HydrophobicContact CB-CG 4.33Å; D617-Y619 WeakPolarHBondContact O-CD2 3.39Å; D617-Y619 PolarHBondContact O-N 2.81Å; Y619-V631 HydrophobicContact CD1-CG1 3.76Å; Y619-V631 HydrophobicContact CD2-CG1 4.14Å; Y619-V631 HydrophobicContact CE1-CG1 4.38Å; Y619-V631 HydrophobicContact CG-CG1 3.65Å; Y619-W632 CarbonylContact C-O 3.54Å; Y619-W632 VanDerWaalsContact CA-O 3.25Å; Y619-W632 WeakPolarHBondContact CA-O 3.29Å; Y619-Q633 HydrophobicContact CD1-CB 4.32Å; Y619-Q633 HydrophobicContact CE1-CB 4.24Å; Y619-D640 HydrophobicContact CE1-CB 4.28Å |
| 620 | L | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.1 | 161.6 | 178.2 | 72.3 | 0 | 0 | 0 | 108.2 | V587 M599 I611 W613 V622 W632 M634 | V587-L620 HydrophobicContact CG1-CD2 4.06Å; M599-L620 HydrophobicContact CE-CB 4.43Å; M599-L620 HydrophobicContact CE-CD2 3.41Å; M599-L620 VanDerWaalsContact CE-CD2 3.41Å; I611-L620 HydrophobicContact CG2-CD1 3.48Å; I611-L620 VanDerWaalsContact CG2-CD1 3.48Å; I611-L620 HydrophobicContact CG2-CG 4.49Å; W613-L620 HydrophobicContact CD2-CD1 3.9Å; W613-L620 HydrophobicContact CE3-CD1 3.71Å; W613-L620 HydrophobicContact CH2-CD1 3.91Å; W613-L620 HydrophobicContact CZ2-CD1 4.1Å; W613-L620 HydrophobicContact CZ3-CD1 3.72Å; L620-V622 HydrophobicContact CD2-CG2 4.24Å; L620-V622 HydrophobicContact CG-CG2 4.18Å; L620-W632 HydrophobicContact CB-CB 4.29Å; L620-W632 PolarHBondContact N-O 2.88Å; L620-W632 PolarHBondContact O-N 2.87Å; L620-M634 HydrophobicContact CB-CG 3.78Å; L620-M634 HydrophobicContact CB-SD 4.3Å |
| 621 | V | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.1 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | I611 K612 V629 Y630 V631 I651 L652 | I611-V621 WeakPolarHBondContact CA-O 3.5Å; K612-V621 HydrophobicContact CB-CB 4.2Å; K612-V621 PolarHBondContact N-O 2.93Å; K612-V621 PolarHBondContact O-N 2.97Å; V621-V629 HydrophobicContact CG1-CG1 3.39Å; V621-Y630 WeakPolarHBondContact CA-O 3.43Å; V621-V631 HydrophobicContact CG2-CG1 4.42Å; V621-V631 HydrophobicContact CG2-CG2 4.39Å; V621-I651 HydrophobicContact CG1-CG2 3.99Å; V621-I651 HydrophobicContact CG2-CG2 4.46Å; V621-L652 HydrophobicContact CG1-CD2 3.99Å |
| 622 | V | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.3 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V587 I608 L620 V629 Y630 | V587-V622 HydrophobicContact CG2-CG1 4.34Å; V587-V622 HydrophobicContact CG2-CG2 4.19Å; I608-V622 HydrophobicContact CB-CG1 4.31Å; I608-V622 HydrophobicContact CD1-CG1 4.15Å; I608-V622 HydrophobicContact CG1-CG1 3.78Å; I608-V622 HydrophobicContact CG2-CG1 3.66Å; L620-V622 HydrophobicContact CD2-CG2 4.24Å; L620-V622 HydrophobicContact CG-CG2 4.18Å; V622-V629 CarbonylContact O-C 3.54Å; V622-V629 WeakPolarHBondContact O-CA 3.15Å; V622-Y630 PolarHBondContact N-O 3.43Å; V622-Y630 PolarHBondContact O-N 3.39Å |
| 623 | G | 93.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q609 V610 | Q609-G623 PolarHBondContact N-O 2.98Å; V610-G623 PolarHBondContact N-O 3.07Å; V610-G623 VanDerWaalsContact N-O 3.12Å; V610-G623 PolarHBondContact O-N 2.86Å |
| 624 | C | 92.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 161.2 | -178.3 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | F606 P607 D626 G627 S628 | F606-C624 HydrophobicContact CB-CB 4Å; F606-C624 PolarHBondContact O-SG 3.1Å; F606-C624 VanDerWaalsContact O-SG 3.36Å; P607-C624 CarbonylContact O-C 3.56Å; P607-C624 WeakPolarHBondContact O-CA 3.45Å; C624-D626 WeakPolarHBondContact CB-OD1 3.28Å; C624-D626 PolarHBondContact O-N 2.98Å; C624-G627 PolarHBondContact O-N 3.13Å; C624-S628 WeakPolarHBondContact CB-O 3.43Å; C624-S628 PolarHBondContact N-O 2.93Å |
| 625 | S | 89.6 | Confident | 91.3 | Very high | 51 Ų | 51 | 28.5 Ų | 28.5 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.1 | -179.7 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | P607 Q609 G627 | P607-S625 VanDerWaalsContact CD-OG 3.32Å; P607-S625 WeakPolarHBondContact CD-OG 3.36Å; P607-S625 PolarHBondContact O-N 2.91Å; P607-S625 PolarHBondContact O-OG 2.85Å; Q609-S625 VanDerWaalsContact CD-CA 3.49Å; S625-G627 PolarHBondContact O-N 3.39Å |
| 626 | D | 88 | Confident | 91.3 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.7 | 173.4 | 70.7 | -37 | 0 | 0 | 0 | 113.1 | F606 C624 S628 | F606-D626 HydrophobicContact CB-CB 4.26Å; F606-D626 HydrophobicContact CD1-CB 3.95Å; F606-D626 HydrophobicContact CD2-CB 3.66Å; F606-D626 WeakPolarHBondContact CD2-OD2 3.37Å; F606-D626 HydrophobicContact CE1-CB 4.14Å; F606-D626 HydrophobicContact CE2-CB 3.86Å; F606-D626 WeakPolarHBondContact CE2-OD2 3.45Å; F606-D626 HydrophobicContact CG-CB 3.69Å; F606-D626 HydrophobicContact CZ-CB 4.1Å; C624-D626 WeakPolarHBondContact CB-OD1 3.28Å; C624-D626 PolarHBondContact O-N 2.98Å; D626-S628 VanDerWaalsContact C-N 3.32Å; D626-S628 VanDerWaalsContact CG-OG 3.31Å; D626-S628 VanDerWaalsContact OD1-CB 3.24Å; D626-S628 WeakPolarHBondContact OD1-CB 3.33Å; D626-S628 PolarHBondContact OD1-N 2.79Å; D626-S628 PolarHBondContact OD1-OG 3.14Å; D626-S628 WeakPolarHBondContact OD2-CB 3.4Å; D626-S628 PolarHBondContact OD2-OG 2.93Å |
| 627 | G | 86.8 | Confident | 91.3 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 44% | 0.443 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 82.4 | 3.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C624 S625 | C624-G627 PolarHBondContact O-N 3.13Å; S625-G627 PolarHBondContact O-N 3.39Å |
| 628 | S | 92.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | trans | -72.8 | 140.9 | 172.2 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | C624 D626 V643 M644 | C624-S628 WeakPolarHBondContact CB-O 3.43Å; C624-S628 PolarHBondContact N-O 2.93Å; D626-S628 VanDerWaalsContact C-N 3.32Å; D626-S628 VanDerWaalsContact CG-OG 3.31Å; D626-S628 VanDerWaalsContact OD1-CB 3.24Å; D626-S628 WeakPolarHBondContact OD1-CB 3.33Å; D626-S628 PolarHBondContact OD1-N 2.79Å; D626-S628 PolarHBondContact OD1-OG 3.14Å; D626-S628 WeakPolarHBondContact OD2-CB 3.4Å; D626-S628 PolarHBondContact OD2-OG 2.93Å; S628-V643 WeakPolarHBondContact CA-O 3.32Å; S628-M644 WeakPolarHBondContact OG-CE 3.47Å; S628-M644 WeakPolarHBondContact OG-CG 3.11Å | ||
| 629 | V | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.1 | 177 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | V621 V622 C642 V643 A648 I651 L652 | V621-V629 HydrophobicContact CG1-CG1 3.39Å; V622-V629 CarbonylContact O-C 3.54Å; V622-V629 WeakPolarHBondContact O-CA 3.15Å; V629-C642 CarbonylContact O-C 3.59Å; V629-C642 WeakPolarHBondContact O-CA 3.32Å; V629-V643 PolarHBondContact N-O 3.49Å; V629-V643 PolarHBondContact O-N 2.99Å; V629-A648 HydrophobicContact CB-CB 4.01Å; V629-A648 HydrophobicContact CG2-CB 3.73Å; V629-I651 HydrophobicContact CG1-CG2 4.16Å; V629-L652 HydrophobicContact CG2-CD1 3.61Å; V629-L652 HydrophobicContact CG2-CD2 4.16Å; V629-L652 HydrophobicContact CG2-CG 3.74Å |
| 630 | Y | 95.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 29 Ų | 29 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.6 | 180 | -65.2 | -109.3 | 0 | 0 | 0 | 109.5 | H604 V621 V622 L639 C642 | H604-Y630 AromaticContact CD2-CD1 3.77Å; H604-Y630 AromaticContact CD2-CD2 3.53Å; H604-Y630 AromaticContact CD2-CG 3.4Å; H604-Y630 AromaticContact NE2-CG 3.92Å; V621-Y630 WeakPolarHBondContact CA-O 3.43Å; V622-Y630 PolarHBondContact N-O 3.43Å; V622-Y630 PolarHBondContact O-N 3.39Å; Y630-L639 HydrophobicContact CD1-CD1 3.95Å; Y630-L639 HydrophobicContact CD1-CD2 4.35Å; Y630-C642 HydrophobicContact CD1-CB 4.03Å; Y630-C642 HydrophobicContact CE1-CB 4.06Å; Y630-C642 VanDerWaalsContact CE1-SG 3.6Å; Y630-C642 VanDerWaalsContact CZ-SG 3.54Å |
| 631 | V | 95.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.5 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | Y619 V621 D640 R641 I651 | Y619-V631 HydrophobicContact CD1-CG1 3.76Å; Y619-V631 HydrophobicContact CD2-CG1 4.14Å; Y619-V631 HydrophobicContact CE1-CG1 4.38Å; Y619-V631 HydrophobicContact CG-CG1 3.65Å; V621-V631 HydrophobicContact CG2-CG1 4.42Å; V621-V631 HydrophobicContact CG2-CG2 4.39Å; V631-D640 PolarHBondContact O-N 3.49Å; V631-R641 HydrophobicContact CB-CG 3.99Å; V631-R641 HydrophobicContact CG2-CG 4Å; V631-R641 PolarHBondContact N-O 3.42Å; V631-R641 PolarHBondContact O-N 3.03Å; V631-I651 HydrophobicContact CG2-CG2 4.44Å |
| 632 | W | 95 | Very high | 91.4 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.9 | -178.6 | -68.8 | 87 | 0 | 0 | 0 | 110.5 | A601 R603 H604 Y619 L620 G637 L639 | A601-W632 HydrophobicContact CB-CD2 3.66Å; A601-W632 VanDerWaalsContact CB-CE2 3.48Å; A601-W632 HydrophobicContact CB-CE3 4.01Å; A601-W632 HydrophobicContact CB-CG 4.15Å; A601-W632 HydrophobicContact CB-CH2 4.04Å; A601-W632 HydrophobicContact CB-CZ2 3.69Å; A601-W632 HydrophobicContact CB-CZ3 4.19Å; R603-W632 HydrophobicContact CB-CH2 4.19Å; R603-W632 HydrophobicContact CB-CZ2 4.02Å; R603-W632 HydrophobicContact CG-CH2 4.01Å; R603-W632 HydrophobicContact CG-CZ2 4.36Å; H604-W632 AromaticContact CE1-NE1 3.59Å; H604-W632 AromaticContact NE2-CD1 3.9Å; H604-W632 AromaticContact NE2-CE2 3.77Å; H604-W632 AromaticContact NE2-NE1 2.93Å; H604-W632 PolarHBondContact NE2-NE1 2.91Å; Y619-W632 CarbonylContact C-O 3.54Å; Y619-W632 VanDerWaalsContact CA-O 3.25Å; Y619-W632 WeakPolarHBondContact CA-O 3.29Å; L620-W632 HydrophobicContact CB-CB 4.29Å; L620-W632 PolarHBondContact N-O 2.88Å; L620-W632 PolarHBondContact O-N 2.87Å; W632-G637 WeakPolarHBondContact CZ3-O 3.48Å; W632-L639 HydrophobicContact CD2-CB 4.2Å; W632-L639 HydrophobicContact CD2-CD1 4.01Å; W632-L639 HydrophobicContact CE3-CB 3.93Å; W632-L639 HydrophobicContact CG-CD1 4.35Å; W632-L639 HydrophobicContact CH2-CB 3.89Å; W632-L639 HydrophobicContact CZ2-CB 4.15Å; W632-L639 HydrophobicContact CZ2-CD1 3.98Å; W632-L639 HydrophobicContact CZ2-CG 4.46Å; W632-L639 HydrophobicContact CZ3-CB 3.77Å |
| 633 | Q | 92.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123 | 169.7 | -172.8 | 178.8 | 15.2 | 0 | 0 | 109.8 | D618 Y619 T636 G637 A638 | D618-Q633 CarbonylContact O-C 3.59Å; D618-Q633 WeakPolarHBondContact O-CA 3.41Å; D618-Q633 WeakPolarHBondContact OD2-CG 3.5Å; Y619-Q633 HydrophobicContact CD1-CB 4.32Å; Y619-Q633 HydrophobicContact CE1-CB 4.24Å; Q633-T636 WeakPolarHBondContact CB-OG1 3.26Å; Q633-T636 VanDerWaalsContact CD-OG1 3.29Å; Q633-T636 HydrophobicContact CG-CG2 4.46Å; Q633-T636 WeakPolarHBondContact CG-OG1 3.34Å; Q633-T636 PolarHBondContact OE1-OG1 2.99Å; Q633-G637 VanDerWaalsContact O-CA 3.23Å; Q633-G637 WeakPolarHBondContact O-CA 3.44Å; Q633-G637 PolarHBondContact O-N 3.47Å; Q633-A638 PolarHBondContact N-O 3.36Å |
| 634 | M | 89.4 | Confident | 91.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -37.8 | -171 | -58.1 | -177.9 | -77.9 | 0 | 0 | 113 | V574 L589 W613 D618 L620 | V574-M634 HydrophobicContact CG2-CB 4.11Å; L589-M634 HydrophobicContact CD1-CB 4.49Å; W613-M634 HydrophobicContact CE3-SD 3.6Å; W613-M634 VanDerWaalsContact CE3-SD 3.6Å; W613-M634 HydrophobicContact CZ3-SD 3.73Å; D618-M634 PolarHBondContact O-N 3.49Å; D618-M634 WeakPolarHBondContact OD1-CB 3.39Å; L620-M634 HydrophobicContact CB-CG 3.78Å; L620-M634 HydrophobicContact CB-SD 4.3Å |
| 635 | D | 84.9 | Confident | 90.8 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -39.5 | -179.4 | -77.7 | -23.8 | 0 | 0 | 0 | 112.4 | S571 R573 D618 | S571-D635 WeakPolarHBondContact CB-OD1 3.34Å; S571-D635 PolarHBondContact OG-OD1 3.46Å; R573-D635 PolarHBondContact NH1-O 3.07Å; D618-D635 PolarHBondContact OD1-N 3.28Å; D618-D635 WeakPolarHBondContact OD2-CB 3.41Å; D618-D635 PolarHBondContact OD2-N 2.9Å |
| 636 | T | 86.1 | Confident | 90.5 | Very high | 88 Ų | 88 | 51 Ų | 51 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -23.5 | -176.7 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | Q633 A638 | Q633-T636 WeakPolarHBondContact CB-OG1 3.26Å; Q633-T636 VanDerWaalsContact CD-OG1 3.29Å; Q633-T636 HydrophobicContact CG-CG2 4.46Å; Q633-T636 WeakPolarHBondContact CG-OG1 3.34Å; Q633-T636 PolarHBondContact OE1-OG1 2.99Å; T636-A638 PolarHBondContact O-N 2.92Å; T636-A638 WeakPolarHBondContact OG1-CB 2.96Å; T636-A638 PolarHBondContact OG1-N 2.86Å |
| 637 | G | 86 | Confident | 90.4 | Very high | 22 Ų | 22 | 52 Ų | 52 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | trans | 70.4 | 15.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W632 Q633 | W632-G637 WeakPolarHBondContact CZ3-O 3.48Å; Q633-G637 VanDerWaalsContact O-CA 3.23Å; Q633-G637 WeakPolarHBondContact O-CA 3.44Å; Q633-G637 PolarHBondContact O-N 3.47Å | ||
| 638 | A | 90 | Very high | 90.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | trans | -84 | 140.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q633 T636 D640 | Q633-A638 PolarHBondContact N-O 3.36Å; T636-A638 PolarHBondContact O-N 2.92Å; T636-A638 WeakPolarHBondContact OG1-CB 2.96Å; T636-A638 PolarHBondContact OG1-N 2.86Å; A638-D640 PolarHBondContact O-N 2.96Å | ||
| 639 | L | 93.9 | Very high | 89.9 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115.4 | 168.1 | 178.1 | 65.6 | 0 | 0 | 0 | 108.5 | Y630 W632 | Y630-L639 HydrophobicContact CD1-CD1 3.95Å; Y630-L639 HydrophobicContact CD1-CD2 4.35Å; W632-L639 HydrophobicContact CD2-CB 4.2Å; W632-L639 HydrophobicContact CD2-CD1 4.01Å; W632-L639 HydrophobicContact CE3-CB 3.93Å; W632-L639 HydrophobicContact CG-CD1 4.35Å; W632-L639 HydrophobicContact CH2-CB 3.89Å; W632-L639 HydrophobicContact CZ2-CB 4.15Å; W632-L639 HydrophobicContact CZ2-CD1 3.98Å; W632-L639 HydrophobicContact CZ2-CG 4.46Å; W632-L639 HydrophobicContact CZ3-CB 3.77Å |
| 640 | D | 92.6 | Very high | 89.4 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -51.7 | 178.2 | -178.8 | 63.6 | 0 | 0 | 0 | 110.7 | Y619 V631 A638 | Y619-D640 HydrophobicContact CE1-CB 4.28Å; V631-D640 PolarHBondContact O-N 3.49Å; A638-D640 PolarHBondContact O-N 2.96Å |
| 641 | R | 91.8 | Very high | 89.1 | Confident | 132 Ų | 132 | 59.8 Ų | 59.8 | 50% | 0.498 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 160.2 | 179.9 | 66.3 | -169.8 | 74.1 | -173 | 3.6 | 113.6 | V631 V643 | V631-R641 HydrophobicContact CB-CG 3.99Å; V631-R641 HydrophobicContact CG2-CG 4Å; V631-R641 PolarHBondContact N-O 3.42Å; V631-R641 PolarHBondContact O-N 3.03Å; R641-V643 HydrophobicContact CG-CG2 3.99Å |
| 642 | C | 92.7 | Very high | 88.6 | Confident | 63 Ų | 63 | 61 Ų | 61 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.1 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | V629 Y630 | V629-C642 CarbonylContact O-C 3.59Å; V629-C642 WeakPolarHBondContact O-CA 3.32Å; Y630-C642 HydrophobicContact CD1-CB 4.03Å; Y630-C642 HydrophobicContact CE1-CB 4.06Å; Y630-C642 VanDerWaalsContact CE1-SG 3.6Å; Y630-C642 VanDerWaalsContact CZ-SG 3.54Å |
| 643 | V | 93.4 | Very high | 88 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.8 | -171.9 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | S628 V629 R641 T647 A648 I651 | S628-V643 WeakPolarHBondContact CA-O 3.32Å; V629-V643 PolarHBondContact N-O 3.49Å; V629-V643 PolarHBondContact O-N 2.99Å; R641-V643 HydrophobicContact CG-CG2 3.99Å; V643-T647 HydrophobicContact CG1-CG2 3.78Å; V643-A648 HydrophobicContact CG1-CB 4.33Å; V643-I651 HydrophobicContact CB-CD1 4.13Å; V643-I651 HydrophobicContact CG1-CD1 4.15Å; V643-I651 HydrophobicContact CG2-CD1 3.82Å |
| 644 | M | 88.9 | Confident | 87.5 | Confident | 118 Ų | 118 | 64 Ų | 64 | 58% | 0.581 | 37% | 0.367 | S | S | * | . | trans | -135.2 | 161.5 | 176.6 | -62.2 | -175.6 | 75.3 | 0 | 0 | 110.7 | S628 | S628-M644 WeakPolarHBondContact OG-CE 3.47Å; S628-M644 WeakPolarHBondContact OG-CG 3.11Å | ||
| 645 | G | 85.6 | Confident | 87 | Confident | 50 Ų | 50 | 65 Ų | 65 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 77.7 | -152.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T647 A648 V649 | G645-T647 VanDerWaalsContact C-N 3.27Å; G645-T647 PolarHBondContact O-N 3.31Å; G645-A648 VanDerWaalsContact O-CB 3.29Å; G645-A648 WeakPolarHBondContact O-CB 3.39Å; G645-A648 PolarHBondContact O-N 3.01Å; G645-V649 PolarHBondContact O-N 3.4Å |
| 646 | I | 83 | Confident | 85.9 | Confident | 133 Ų | 133 | 66.3 Ų | 66.3 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -56.2 | -40.8 | -172.6 | -60.9 | 167 | 0 | 0 | 0 | 111.8 | A648 V649 E650 | I646-A648 VanDerWaalsContact C-N 3.26Å; I646-A648 PolarHBondContact O-N 3.46Å; I646-V649 WeakPolarHBondContact O-CB 3.35Å; I646-V649 PolarHBondContact O-N 3.17Å; I646-V649 VanDerWaalsContact O-N 3.11Å; I646-E650 HydrophobicContact CG2-CG 4.32Å; I646-E650 WeakPolarHBondContact O-CG 3.48Å; I646-E650 PolarHBondContact O-N 3.44Å |
| 647 | T | 85.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -30.1 | 178.6 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | V643 G645 I651 | V643-T647 HydrophobicContact CG1-CG2 3.78Å; G645-T647 VanDerWaalsContact C-N 3.27Å; G645-T647 PolarHBondContact O-N 3.31Å; T647-I651 HydrophobicContact CG2-CD1 4.23Å; T647-I651 WeakPolarHBondContact O-CD1 3.47Å; T647-I651 WeakPolarHBondContact O-CG1 3.01Å; T647-I651 PolarHBondContact O-N 3.08Å |
| 648 | A | 86.6 | Confident | 82.1 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.017 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V629 V643 G645 I646 I651 L652 | V629-A648 HydrophobicContact CB-CB 4.01Å; V629-A648 HydrophobicContact CG2-CB 3.73Å; V643-A648 HydrophobicContact CG1-CB 4.33Å; G645-A648 VanDerWaalsContact O-CB 3.29Å; G645-A648 WeakPolarHBondContact O-CB 3.39Å; G645-A648 PolarHBondContact O-N 3.01Å; I646-A648 VanDerWaalsContact C-N 3.26Å; I646-A648 PolarHBondContact O-N 3.46Å; A648-I651 PolarHBondContact O-N 3.01Å; A648-L652 WeakPolarHBondContact O-CG 3.43Å; A648-L652 PolarHBondContact O-N 2.71Å |
| 649 | V | 83.6 | Confident | 79.4 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | G645 I646 I651 L652 N653 | G645-V649 PolarHBondContact O-N 3.4Å; I646-V649 WeakPolarHBondContact O-CB 3.35Å; I646-V649 PolarHBondContact O-N 3.17Å; I646-V649 VanDerWaalsContact O-N 3.11Å; V649-I651 PolarHBondContact O-N 3.06Å; V649-L652 PolarHBondContact O-N 2.97Å; V649-N653 WeakPolarHBondContact O-CB 3.24Å; V649-N653 PolarHBondContact O-N 3.22Å; V649-N653 PolarHBondContact O-ND2 3.06Å |
| 650 | E | 85.3 | Confident | 76.3 | Confident | 110 Ų | 110 | 80.7 Ų | 80.7 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.8 | -70.9 | 170.9 | 172.6 | 0 | 0 | 112.3 | I646 N653 A654 | I646-E650 HydrophobicContact CG2-CG 4.32Å; I646-E650 WeakPolarHBondContact O-CG 3.48Å; I646-E650 PolarHBondContact O-N 3.44Å; E650-N653 PolarHBondContact O-N 2.88Å; E650-A654 WeakPolarHBondContact O-CB 3.45Å; E650-A654 PolarHBondContact O-N 3.01Å |
| 651 | I | 87.5 | Confident | 73.6 | Confident | 35 Ų | 35 | 82 Ų | 82 | 18% | 0.179 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178 | -71.2 | 165.5 | 0 | 0 | 0 | 110.9 | V621 V629 V631 V643 T647 A648 V649 A654 C655 | V621-I651 HydrophobicContact CG1-CG2 3.99Å; V621-I651 HydrophobicContact CG2-CG2 4.46Å; V629-I651 HydrophobicContact CG1-CG2 4.16Å; V631-I651 HydrophobicContact CG2-CG2 4.44Å; V643-I651 HydrophobicContact CB-CD1 4.13Å; V643-I651 HydrophobicContact CG1-CD1 4.15Å; V643-I651 HydrophobicContact CG2-CD1 3.82Å; T647-I651 HydrophobicContact CG2-CD1 4.23Å; T647-I651 WeakPolarHBondContact O-CD1 3.47Å; T647-I651 WeakPolarHBondContact O-CG1 3.01Å; T647-I651 PolarHBondContact O-N 3.08Å; A648-I651 PolarHBondContact O-N 3.01Å; V649-I651 PolarHBondContact O-N 3.06Å; I651-A654 PolarHBondContact O-N 3.42Å; I651-C655 PolarHBondContact O-N 3.1Å; I651-C655 PolarHBondContact O-SG 2.72Å |
| 652 | L | 85.4 | Confident | 70.8 | Confident | 35 Ų | 35 | 81.9 Ų | 81.9 | 18% | 0.183 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 177.6 | -72.4 | 172 | 0 | 0 | 0 | 111.3 | V610 K612 V621 V629 A648 V649 C655 | V610-L652 HydrophobicContact CG1-CD1 4.24Å; V610-L652 HydrophobicContact CG1-CD2 3.76Å; K612-L652 HydrophobicContact CG-CD2 4.16Å; V621-L652 HydrophobicContact CG1-CD2 3.99Å; V629-L652 HydrophobicContact CG2-CD1 3.61Å; V629-L652 HydrophobicContact CG2-CD2 4.16Å; V629-L652 HydrophobicContact CG2-CG 3.74Å; A648-L652 WeakPolarHBondContact O-CG 3.43Å; A648-L652 PolarHBondContact O-N 2.71Å; V649-L652 PolarHBondContact O-N 2.97Å; L652-C655 WeakPolarHBondContact O-CB 3.44Å; L652-C655 PolarHBondContact O-N 3.09Å; L652-C655 VanDerWaalsContact O-N 3.14Å |
| 653 | N | 82.5 | Confident | 68.2 | Low | 95 Ų | 95 | 84.4 Ų | 84.4 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.9 | -70 | -11 | 0 | 0 | 0 | 112.1 | V649 E650 C655 D656 | V649-N653 WeakPolarHBondContact O-CB 3.24Å; V649-N653 PolarHBondContact O-N 3.22Å; V649-N653 PolarHBondContact O-ND2 3.06Å; E650-N653 PolarHBondContact O-N 2.88Å; N653-C655 PolarHBondContact O-N 2.86Å; N653-C655 VanDerWaalsContact O-N 3.14Å; N653-D656 WeakPolarHBondContact O-CB 3.46Å; N653-D656 PolarHBondContact O-N 2.75Å |
| 654 | A | 82.8 | Confident | 65.3 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R614 E650 I651 | R614-A654 PolarHBondContact NH1-O 2.82Å; R614-A654 VanDerWaalsContact NH1-O 3.13Å; E650-A654 WeakPolarHBondContact O-CB 3.45Å; E650-A654 PolarHBondContact O-N 3.01Å; I651-A654 PolarHBondContact O-N 3.42Å |
| 655 | C | 78.3 | Confident | 62.9 | Low | 24 Ų | 24 | 88.7 Ų | 88.7 | 16% | 0.162 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.5 | 168.2 | -60 | 0 | 0 | 0 | 0 | 112.7 | K612 R614 I651 L652 N653 | K612-C655 HydrophobicContact CB-CB 3.68Å; K612-C655 HydrophobicContact CD-CB 4.31Å; K612-C655 HydrophobicContact CG-CB 3.99Å; R614-C655 VanDerWaalsContact CG-SG 3.59Å; I651-C655 PolarHBondContact O-N 3.1Å; I651-C655 PolarHBondContact O-SG 2.72Å; L652-C655 WeakPolarHBondContact O-CB 3.44Å; L652-C655 PolarHBondContact O-N 3.09Å; L652-C655 VanDerWaalsContact O-N 3.14Å; N653-C655 PolarHBondContact O-N 2.86Å; N653-C655 VanDerWaalsContact O-N 3.14Å |
| 656 | D | 61.3 | Low | 60.6 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -15.2 | -176.5 | -74.3 | -23.6 | 0 | 0 | 0 | 113.9 | K612 N653 L658 | K612-D656 VanDerWaalsContact CE-OD1 3.27Å; K612-D656 WeakPolarHBondContact CE-OD1 3.1Å; K612-D656 IonicContact NZ-OD1 3.28Å; K612-D656 PolarHBondContact NZ-OD1 2.78Å; K612-D656 IonicContact NZ-OD2 3.78Å; K612-D656 PolarHBondContact NZ-OD2 3.47Å; N653-D656 WeakPolarHBondContact O-CB 3.46Å; N653-D656 PolarHBondContact O-N 2.75Å; D656-L658 PolarHBondContact O-N 3.37Å |
| 657 | E | 50 | Low | 58.3 | Low | 161 Ų | 161 | 91.2 Ų | 91.2 | 75% | 0.752 | 55% | 0.55 | S | S | * | . | trans | -66.5 | 93.9 | 166.8 | -73.4 | -174.1 | 170.6 | 0 | 0 | 109.9 | A659 | E657-A659 VanDerWaalsContact C-N 3.29Å; E657-A659 PolarHBondContact O-N 3Å | ||
| 658 | L | 43.1 | Very low | 56.2 | Low | 166 Ų | 166 | 93.7 Ų | 93.7 | 87% | 0.869 | 56% | 0.556 | S | S | * | * | trans | -54.2 | 97 | 157.7 | -83.6 | 152.4 | 0 | 0 | 0 | 107.4 | D656 P660 | D656-L658 PolarHBondContact O-N 3.37Å; L658-P660 WeakPolarHBondContact O-CD 3.37Å | ||
| 659 | A | 32.6 | Very low | 53.7 | Low | 91 Ų | 91 | 98 Ų | 98 | 75% | 0.752 | 59% | 0.586 | S | S | * | * | trans | -50.1 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E657 A661 | E657-A659 VanDerWaalsContact C-N 3.29Å; E657-A659 PolarHBondContact O-N 3Å; A659-A661 PolarHBondContact O-N 2.86Å | ||
| 660 | P | 30.1 | Very low | 51.3 | Low | 98 Ų | 98 | 98.3 Ų | 98.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -72 | 112.7 | 167 | 26.3 | -23.2 | 0 | 0 | 0 | 106.4 | L658 T662 | L658-P660 WeakPolarHBondContact O-CD 3.37Å; P660-T662 PolarHBondContact O-N 2.82Å | ||
| 661 | A | 36 | Very low | 49.4 | Very low | 98 Ų | 98 | 97.8 Ų | 97.8 | 81% | 0.81 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 68.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A659 | A659-A661 PolarHBondContact O-N 2.86Š|
| 662 | T | 33 | Very low | 47.1 | Very low | 130 Ų | 130 | 101.1 Ų | 101.1 | 80% | 0.798 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169 | -8.5 | 163.2 | 31.6 | 0 | 0 | 0 | 0 | 117.8 | P660 | P660-T662 PolarHBondContact O-N 2.82Š|
| 663 | V | 38 | Very low | 44.7 | Very low | 117 Ų | 117 | 104.7 Ų | 104.7 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -146.2 | 82.7 | -176.5 | -127 | 0 | 0 | 0 | 0 | 112.9 | ||
| 664 | D | 30.8 | Very low | 42.5 | Very low | 133 Ų | 133 | 108.7 Ų | 108.7 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | trans | -176.8 | 58.2 | 143 | -114.5 | -25.6 | 0 | 0 | 0 | 113.6 | S667 | D664-S667 PolarHBondContact OD1-OG 3.04Š| ||
| 665 | A | 38.9 | Very low | 40.6 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -88.5 | 3.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 666 | L | 37 | Very low | 38.7 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 89% | 0.885 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -127.6 | -9.1 | -168.3 | -70.2 | 172.3 | 0 | 0 | 0 | 116.9 | ||
| 667 | S | 35.2 | Very low | 37.6 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 48% | 0.476 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -100.5 | -21.5 | -173.6 | 54.4 | 0 | 0 | 0 | 0 | 115.4 | D664 | D664-S667 PolarHBondContact OD1-OG 3.04Š|
| 668 | H | 42.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 58% | 0.579 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -117.9 | 14.2 | -172.4 | -74.9 | -69.2 | 0 | 0 | 0 | 117.3 | A670 | H668-A670 VanDerWaalsContact C-N 3.27Å; H668-A670 PolarHBondContact O-N 3.13Å |
| 669 | S | 33.6 | Very low | 37.5 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -61.3 | -28.4 | 177.7 | 173 | 0 | 0 | 0 | 0 | 114.2 | ||
| 670 | A | 34.5 | Very low | 37.9 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -81.6 | -24.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H668 | H668-A670 VanDerWaalsContact C-N 3.27Å; H668-A670 PolarHBondContact O-N 3.13Å |
| 671 | V | 43.9 | Very low | 38.5 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -93.6 | -33.8 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 672 | N | 40.6 | Very low | 38.7 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -75.5 | -22.9 | 176.3 | -85.7 | -29.1 | 0 | 0 | 0 | 114 | K674 Q675 A676 | N672-K674 VanDerWaalsContact C-N 3.26Å; N672-K674 PolarHBondContact O-N 3.35Å; N672-Q675 PolarHBondContact O-N 3.49Å; N672-A676 WeakPolarHBondContact O-CB 3.37Å; N672-A676 PolarHBondContact O-N 3.08Å |
| 673 | L | 34.7 | Very low | 39.1 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.7 | -28.6 | 176.7 | -147.6 | 100.8 | 0 | 0 | 0 | 112.4 | M677 | L673-M677 PolarHBondContact O-N 3.33Å |
| 674 | K | 36.2 | Very low | 39.1 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.6 | -29 | -179.1 | -144.4 | 178.4 | -175.2 | -178.1 | 0 | 112.7 | N672 | N672-K674 VanDerWaalsContact C-N 3.26Å; N672-K674 PolarHBondContact O-N 3.35Å |
| 675 | Q | 42.9 | Very low | 39.5 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.8 | -33.5 | 171.4 | -79.9 | -179.4 | -12.4 | 0 | 0 | 112.4 | N672 M677 T678 | N672-Q675 PolarHBondContact O-N 3.49Å; Q675-M677 VanDerWaalsContact C-N 3.34Å; Q675-M677 PolarHBondContact O-N 2.9Å; Q675-T678 PolarHBondContact O-N 3.14Å; Q675-T678 PolarHBondContact O-OG1 3.27Å |
| 676 | A | 39.1 | Very low | 39.3 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.9 | -24.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N672 T678 R679 | N672-A676 WeakPolarHBondContact O-CB 3.37Å; N672-A676 PolarHBondContact O-N 3.08Å; A676-T678 PolarHBondContact O-N 2.92Å; A676-R679 PolarHBondContact O-N 3Å |
| 677 | M | 37.3 | Very low | 39.3 | Very low | 156 Ų | 156 | 124 Ų | 124 | 77% | 0.768 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -7 | 175.7 | -94.8 | -169.4 | 177.1 | 0 | 0 | 114.9 | L673 Q675 | L673-M677 PolarHBondContact O-N 3.33Å; Q675-M677 VanDerWaalsContact C-N 3.34Å; Q675-M677 PolarHBondContact O-N 2.9Å |
| 678 | T | 49.3 | Very low | 39.5 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -5.3 | 176.8 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | Q675 A676 | Q675-T678 PolarHBondContact O-N 3.14Å; Q675-T678 PolarHBondContact O-OG1 3.27Å; A676-T678 PolarHBondContact O-N 2.92Å |
| 679 | R | 42.3 | Very low | 39.1 | Very low | 209 Ų | 209 | 124.3 Ų | 124.3 | 79% | 0.789 | 67% | 0.673 | S | S | * | * | trans | -118.8 | 97.2 | 179.8 | -66.5 | -174.9 | 178.8 | -169.3 | -1.7 | 110.9 | A676 S681 | A676-R679 PolarHBondContact O-N 3Å; R679-S681 PolarHBondContact O-N 2.83Å | ||
| 680 | R | 40.8 | Very low | 39.1 | Very low | 255 Ų | 255 | 126.6 Ų | 126.6 | 96% | 0.962 | 67% | 0.673 | S | S | * | * | trans | -70.7 | 93.8 | 173.9 | -68 | -179.2 | -173.3 | 174.1 | 2.3 | 110.2 | ||||
| 681 | S | 42.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | trans | -139 | 100.7 | 162.3 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | R679 A683 | R679-S681 PolarHBondContact O-N 2.83Å; S681-A683 PolarHBondContact O-N 2.56Å | ||
| 682 | L | 39.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -0.4 | -174.7 | -117 | 163.9 | 0 | 0 | 0 | 113.6 | ||
| 683 | A | 40.8 | Very low | 38.3 | Very low | 71 Ų | 71 | 133 Ų | 133 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -25.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S681 | S681-A683 PolarHBondContact O-N 2.56Š|
| 684 | A | 38.6 | Very low | 38.2 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -76.2 | -28.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | K686 | A684-K686 PolarHBondContact O-N 2.83Å |
| 685 | L | 37.8 | Very low | 38.1 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.8 | -27.9 | -174.6 | -134.7 | 93.5 | 0 | 0 | 0 | 113.1 | ||
| 686 | K | 35.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.6 | -30.6 | -176.1 | -147.9 | 176.3 | -177.4 | -176.4 | 0 | 112.3 | A684 | A684-K686 PolarHBondContact O-N 2.83Å |
| 687 | N | 38.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.3 | -29.5 | 179.5 | -69.8 | -7.9 | 0 | 0 | 0 | 112.9 | H691 | N687-H691 PolarHBondContact O-N 2.78Å |
| 688 | M | 37.5 | Very low | 36.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 64% | 0.64 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.3 | -28.5 | 177.1 | -71.7 | -175.1 | 88 | 0 | 0 | 113.7 | ||
| 689 | A | 34 | Very low | 36.1 | Very low | 70 Ų | 70 | 123 Ų | 123 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.7 | -32.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 690 | Q | 34.7 | Very low | 35.6 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.2 | -33.9 | 177.2 | -98 | 167.9 | -48 | 0 | 0 | 112.9 | K692 | Q690-K692 PolarHBondContact O-N 2.95Å |
| 691 | H | 39.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70 | -31.3 | -179.5 | -140.8 | -79 | 0 | 0 | 0 | 113 | N687 L693 Q694 T695 | N687-H691 PolarHBondContact O-N 2.78Å; H691-L693 VanDerWaalsContact C-N 3.34Å; H691-L693 PolarHBondContact O-N 3.22Å; H691-Q694 PolarHBondContact O-N 2.89Å; H691-T695 PolarHBondContact ND1-OG1 3.23Å; H691-T695 WeakPolarHBondContact O-CB 3.43Å; H691-T695 PolarHBondContact O-N 3.06Å; H691-T695 VanDerWaalsContact O-N 3.1Å; H691-T695 PolarHBondContact O-OG1 3.23Å |
| 692 | K | 33.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.6 | -28.3 | -179.9 | -79.8 | -174.1 | 174.9 | -174.2 | 0 | 114.2 | Q690 | Q690-K692 PolarHBondContact O-N 2.95Å |
| 693 | L | 30.1 | Very low | 34 | Very low | 143 Ų | 143 | 109.5 Ų | 109.5 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -82.9 | -27.2 | -179.9 | -126.5 | 137.6 | 0 | 0 | 0 | 112 | H691 | H691-L693 VanDerWaalsContact C-N 3.34Å; H691-L693 PolarHBondContact O-N 3.22Å |
| 694 | Q | 31.8 | Very low | 33.3 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.5 | -35 | 177.3 | -159.3 | 160.1 | 4.9 | 0 | 0 | 112.2 | H691 A697 T698 | H691-Q694 PolarHBondContact O-N 2.89Å; Q694-A697 PolarHBondContact O-N 2.8Å; Q694-T698 PolarHBondContact O-N 2.87Å; Q694-T698 PolarHBondContact O-OG1 2.73Å |
| 695 | T | 33.9 | Very low | 32.8 | Very low | 54 Ų | 54 | 118 Ų | 118 | 33% | 0.331 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.8 | -28.2 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | H691 T698 N699 | H691-T695 PolarHBondContact ND1-OG1 3.23Å; H691-T695 WeakPolarHBondContact O-CB 3.43Å; H691-T695 PolarHBondContact O-N 3.06Å; H691-T695 VanDerWaalsContact O-N 3.1Å; H691-T695 PolarHBondContact O-OG1 3.23Å; T695-T698 WeakPolarHBondContact CA-OG1 3.33Å; T695-N699 WeakPolarHBondContact O-CB 3.43Å; T695-N699 PolarHBondContact O-N 2.94Å; T695-N699 VanDerWaalsContact O-N 3.12Å; T695-N699 PolarHBondContact O-ND2 2.88Å; T695-N699 PolarHBondContact O-OD1 3.44Å |
| 696 | L | 30.8 | Very low | 32.4 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72 | -32 | 174.9 | -81.9 | 166 | 0 | 0 | 0 | 113.1 | ||
| 697 | A | 29.8 | Very low | 31.9 | Very low | 62 Ų | 62 | 115.6 Ų | 115.6 | 51% | 0.512 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -77.1 | -27.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q694 | Q694-A697 PolarHBondContact O-N 2.8Å |
| 698 | T | 33.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 120 Ų | 120 | 52% | 0.515 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -79.3 | -32.8 | 174.3 | 8 | 0 | 0 | 0 | 0 | 112.3 | Q694 T695 L700 L701 A702 | Q694-T698 PolarHBondContact O-N 2.87Å; Q694-T698 PolarHBondContact O-OG1 2.73Å; T695-T698 WeakPolarHBondContact CA-OG1 3.33Å; T698-L700 PolarHBondContact O-N 3.44Å; T698-L701 PolarHBondContact O-N 3.18Å; T698-A702 WeakPolarHBondContact O-CB 3.37Å; T698-A702 PolarHBondContact O-N 3.44Å; T698-A702 VanDerWaalsContact O-N 3.12Å |
| 699 | N | 32.3 | Very low | 31 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 51% | 0.508 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.9 | -21.2 | -178.6 | -70.5 | -9.5 | 0 | 0 | 0 | 114.2 | T695 L701 | T695-N699 WeakPolarHBondContact O-CB 3.43Å; T695-N699 PolarHBondContact O-N 2.94Å; T695-N699 VanDerWaalsContact O-N 3.12Å; T695-N699 PolarHBondContact O-ND2 2.88Å; T695-N699 PolarHBondContact O-OD1 3.44Å; N699-L701 VanDerWaalsContact C-N 3.34Å |
| 700 | L | 31.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -17.4 | 172.2 | -85.8 | 157.9 | 0 | 0 | 0 | 113.4 | T698 | T698-L700 PolarHBondContact O-N 3.44Š|
| 701 | L | 31 | Very low | 30.2 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -15.3 | 174.6 | -71 | 166.4 | 0 | 0 | 0 | 112.9 | T698 N699 | T698-L701 PolarHBondContact O-N 3.18Å; N699-L701 VanDerWaalsContact C-N 3.34Å |
| 702 | A | 31.3 | Very low | 29.6 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -91.8 | -5.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | T698 D704 | T698-A702 WeakPolarHBondContact O-CB 3.37Å; T698-A702 PolarHBondContact O-N 3.44Å; T698-A702 VanDerWaalsContact O-N 3.12Å; A702-D704 VanDerWaalsContact C-N 3.35Å; A702-D704 PolarHBondContact O-N 2.96Å |
| 703 | A | 28.4 | Very low | 29.3 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -16.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 704 | D | 25.2 | Very low | 29.5 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -5.2 | -177.1 | -115.3 | 0.3 | 0 | 0 | 0 | 114.3 | A702 | A702-D704 VanDerWaalsContact C-N 3.35Å; A702-D704 PolarHBondContact O-N 2.96Å |
| 705 | N | 29.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -111.4 | 5.9 | -177.4 | -80.5 | -24.4 | 0 | 0 | 0 | 114.7 | ||
| 706 | A | 29.5 | Very low | 31.5 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -91.5 | -7.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 707 | D | 23.6 | Very low | 33.9 | Very low | 167 Ų | 167 | 119 Ų | 119 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -102.6 | 18 | -168.8 | -128 | 5.9 | 0 | 0 | 0 | 115.6 | ||
| 708 | K | 26.3 | Very low | 36.6 | Very low | 207 Ų | 207 | 116.2 Ų | 116.2 | 90% | 0.9 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -130.1 | 75.1 | 170.4 | -72.7 | -173.8 | -179.3 | 173 | 0 | 111.1 | ||
| 709 | G | 29.9 | Very low | 39.4 | Very low | 66 Ų | 66 | 112.5 Ų | 112.5 | 68% | 0.68 | 62% | 0.622 | S | S | * | * | trans | -178.3 | 40.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 710 | N | 26.8 | Very low | 42.2 | Very low | 173 Ų | 173 | 109.5 Ų | 109.5 | 93% | 0.925 | 61% | 0.607 | S | S | * | * | trans | -127.5 | 62.2 | 166.9 | -94.4 | -15.9 | 0 | 0 | 0 | 112.1 | ||||
| 711 | L | 25.1 | Very low | 45.2 | Very low | 161 Ų | 161 | 102.8 Ų | 102.8 | 84% | 0.843 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -96.2 | 132.2 | 155.4 | -79.6 | 159.7 | 0 | 0 | 0 | 108 | K713 | L711-K713 PolarHBondContact O-N 2.82Š|
| 712 | P | 27.1 | Very low | 48.1 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | trans | -61.2 | 122.5 | 178.2 | 22.2 | -29.8 | 0 | 0 | 0 | 110.1 | Y714 | P712-Y714 PolarHBondContact O-N 2.83Š| ||
| 713 | K | 26.6 | Very low | 50.9 | Low | 206 Ų | 206 | 98.2 Ų | 98.2 | 90% | 0.896 | 54% | 0.542 | S | S | * | . | trans | -61.5 | 114.6 | 175.8 | -73.2 | 175.3 | 177.7 | 173.2 | 0 | 109.1 | L711 | L711-K713 PolarHBondContact O-N 2.82Š| ||
| 714 | Y | 34.4 | Very low | 53.6 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 41% | 0.408 | 52% | 0.518 | S | S | . | . | trans | -57.5 | 138.3 | 169.7 | -76.9 | -92.2 | 0 | 0 | 0 | 109.8 | P712 H716 I745 | P712-Y714 PolarHBondContact O-N 2.83Å; Y714-H716 PolarHBondContact O-N 3.3Å; Y714-I745 HydrophobicContact CD1-CD1 3.83Å; Y714-I745 HydrophobicContact CE1-CD1 3.72Å; Y714-I745 HydrophobicContact CG-CD1 4.45Å | ||
| 715 | S | 48 | Very low | 56.4 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | trans | -59.7 | 112.2 | 160.2 | 166.9 | 0 | 0 | 0 | 0 | 107.2 | N717 | S715-N717 PolarHBondContact O-N 2.99Š| ||
| 716 | H | 60.7 | Low | 58.8 | Low | 154 Ų | 154 | 84.8 Ų | 84.8 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | trans | -70.1 | 6.4 | -177.6 | -71.9 | -73.1 | 0 | 0 | 0 | 114.1 | Y714 Q746 | Y714-H716 PolarHBondContact O-N 3.3Å; H716-Q746 PolarHBondContact O-NE2 3.41Å | ||
| 717 | N | 80.9 | Confident | 61.3 | Low | 52 Ų | 52 | 83 Ų | 83 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | trans | -112.9 | 115 | -170.9 | -59.1 | -36.8 | 0 | 0 | 0 | 111.7 | P461 S715 V720 | P461-N717 HydrophobicContact CB-CB 4.22Å; P461-N717 VanDerWaalsContact CB-ND2 3.27Å; P461-N717 WeakPolarHBondContact CB-ND2 3.28Å; P461-N717 WeakPolarHBondContact CB-OD1 3.28Å; S715-N717 PolarHBondContact O-N 2.99Å; N717-V720 HydrophobicContact CB-CG2 4.13Å | ||
| 718 | A | 87.5 | Confident | 63.6 | Low | 3 Ų | 3 | 82.1 Ų | 82.1 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -68.4 | -30.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F738 D739 L743 | A718-F738 WeakPolarHBondContact O-CA 3.2Å; A718-D739 PolarHBondContact O-N 2.8Å; A718-L743 HydrophobicContact CB-CB 3.74Å; A718-L743 HydrophobicContact CB-CD1 3.74Å; A718-L743 HydrophobicContact CB-CG 4.31Å |
| 719 | L | 91.9 | Very high | 66.1 | Low | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.9 | 177 | 174.2 | 64.6 | 0 | 0 | 0 | 110 | Y459 T481 V721 L736 F737 F738 T831 | Y459-L719 WeakPolarHBondContact CE1-O 3.46Å; Y459-L719 PolarHBondContact OH-O 3.01Å; T481-L719 WeakPolarHBondContact OG1-CD2 3.28Å; L719-V721 HydrophobicContact CD1-CG2 4.36Å; L719-V721 HydrophobicContact CD2-CG2 4.35Å; L719-V721 HydrophobicContact CG-CG2 4.25Å; L719-L736 HydrophobicContact CD1-CB 3.91Å; L719-L736 HydrophobicContact CD1-CD2 4.38Å; L719-L736 HydrophobicContact CD1-CG 4.46Å; L719-F737 WeakPolarHBondContact CA-O 3.25Å; L719-F738 HydrophobicContact CD1-CD1 4.16Å; L719-F738 HydrophobicContact CD1-CD2 4.41Å; L719-F738 HydrophobicContact CD1-CE1 3.89Å; L719-F738 HydrophobicContact CD1-CE2 4.14Å; L719-F738 HydrophobicContact CD1-CG 4.42Å; L719-F738 HydrophobicContact CD1-CZ 3.87Å; L719-T831 HydrophobicContact CB-CG2 3.81Å; L719-T831 HydrophobicContact CD2-CG2 4.48Å |
| 720 | V | 91.6 | Very high | 68.7 | Low | 32 Ų | 32 | 74.6 Ų | 74.6 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127 | 167.9 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | Y459 N717 F737 | Y459-V720 HydrophobicContact CD1-CG1 4.42Å; N717-V720 HydrophobicContact CB-CG2 4.13Å; V720-F737 HydrophobicContact CB-CB 4.36Å; V720-F737 PolarHBondContact N-O 3.26Å; V720-F737 PolarHBondContact O-N 2.63Å |
| 721 | V | 93.2 | Very high | 71.5 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.6 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | Y459 L466 A480 L719 H734 V735 L736 | Y459-V721 WeakPolarHBondContact CB-O 3.05Å; Y459-V721 HydrophobicContact CD1-CB 4.34Å; Y459-V721 VanDerWaalsContact CD1-N 3.34Å; Y459-V721 HydrophobicContact CD2-CB 3.89Å; Y459-V721 HydrophobicContact CD2-CG2 3.97Å; Y459-V721 HydrophobicContact CE2-CB 4.46Å; Y459-V721 HydrophobicContact CE2-CG2 4.06Å; Y459-V721 HydrophobicContact CG-CB 3.82Å; Y459-V721 HydrophobicContact CG-CG2 4.3Å; L466-V721 HydrophobicContact CD1-CG1 4.23Å; L466-V721 HydrophobicContact CD2-CG1 4.42Å; A480-V721 HydrophobicContact CB-CG2 3.97Å; L719-V721 HydrophobicContact CD1-CG2 4.36Å; L719-V721 HydrophobicContact CD2-CG2 4.35Å; L719-V721 HydrophobicContact CG-CG2 4.25Å; V721-H734 HydrophobicContact CG1-CB 4.07Å; V721-V735 WeakPolarHBondContact CA-O 3.22Å; V721-L736 HydrophobicContact CG2-CG 4.24Å |
| 722 | Q | 91.9 | Very high | 74.5 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.9 | 176.9 | -173.3 | 171.3 | -21.6 | 0 | 0 | 109.5 | M724 H734 V735 F737 | Q722-M724 HydrophobicContact CG-CG 4.13Å; Q722-H734 WeakPolarHBondContact O-CA 3.33Å; Q722-V735 PolarHBondContact N-O 3.44Å; Q722-V735 PolarHBondContact O-N 3.09Å; Q722-F737 HydrophobicContact CB-CD2 4.12Å; Q722-F737 HydrophobicContact CB-CE2 3.63Å; Q722-F737 HydrophobicContact CG-CE2 4.42Å; Q722-F737 VanDerWaalsContact OE1-CE2 3.26Å |
| 723 | A | 89.8 | Confident | 77.6 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D732 M733 | A723-D732 HydrophobicContact CB-CB 4.06Å; A723-M733 CarbonylContact C-O 3.56Å; A723-M733 WeakPolarHBondContact CA-O 3.25Å |
| 724 | M | 85.6 | Confident | 80.8 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.2 | 176.5 | -57 | -161.1 | -49 | 0 | 0 | 109.8 | Q722 M733 V735 M876 L878 | Q722-M724 HydrophobicContact CG-CG 4.13Å; M724-M733 HydrophobicContact CB-CG 3.91Å; M724-M733 HydrophobicContact CB-SD 4.47Å; M724-M733 HydrophobicContact CE-SD 4.36Å; M724-M733 PolarHBondContact N-O 2.94Å; M724-M733 WeakPolarHBondContact O-CG 3.09Å; M724-M733 PolarHBondContact O-N 3.47Å; M724-V735 HydrophobicContact CE-CG2 3.39Å; M724-V735 HydrophobicContact CG-CG2 4.46Å; M724-V735 HydrophobicContact SD-CG2 4.23Å; M724-M876 HydrophobicContact CE-CE 4.11Å; M724-M876 HydrophobicContact SD-CE 3.56Å; M724-M876 VanDerWaalsContact SD-CE 3.56Å; M724-M876 HydrophobicContact SD-SD 4.4Å; M724-L878 HydrophobicContact CE-CD1 3.46Å; M724-L878 VanDerWaalsContact CE-CD1 3.46Å |
| 725 | K | 84 | Confident | 83.6 | Confident | 75 Ų | 75 | 42.2 Ų | 42.2 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | trans | -132.4 | 139.9 | 174.4 | -65.4 | -173.2 | -177.9 | -177.7 | 0 | 108.7 | T455 D732 | T455-K725 WeakPolarHBondContact O-CE 3.49Å; T455-K725 PolarHBondContact O-NZ 3.46Å; K725-D732 WeakPolarHBondContact CE-OD1 3.44Å; K725-D732 WeakPolarHBondContact CG-OD1 3.38Å; K725-D732 IonicContact NZ-OD1 3.75Å | ||
| 726 | T | 80.8 | Confident | 85.8 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -82.3 | -36.6 | 170.6 | 29.5 | 0 | 0 | 0 | 0 | 111.2 | P18 Q42 M59 F61 D730 M733 | P18-T726 HydrophobicContact CB-CG2 3.66Å; P18-T726 VanDerWaalsContact CB-OG1 3.24Å; P18-T726 WeakPolarHBondContact CB-OG1 3.19Å; Q42-T726 HydrophobicContact CG-CG2 4.11Å; Q42-T726 PolarHBondContact NE2-O 2.96Å; M59-T726 HydrophobicContact SD-CG2 3.76Å; F61-T726 HydrophobicContact CE1-CG2 3.83Å; F61-T726 HydrophobicContact CZ-CG2 4.03Å; T726-D730 PolarHBondContact OG1-OD2 2.93Å; T726-M733 HydrophobicContact CG2-CE 3.87Å |
| 727 | N | 80.6 | Confident | 87.4 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -138.6 | 159 | 173.3 | -165 | -61 | 0 | 0 | 0 | 110.4 | T19 D40 T729 D730 | T19-N727 VanDerWaalsContact OG1-CB 3.23Å; T19-N727 WeakPolarHBondContact OG1-CB 3.2Å; D40-N727 PolarHBondContact OD2-ND2 3.1Å; N727-T729 PolarHBondContact O-N 3.31Å; N727-T729 PolarHBondContact OD1-N 3.11Å; N727-T729 PolarHBondContact OD1-OG1 3.15Å; N727-D730 PolarHBondContact N-OD2 3.18Å; N727-D730 WeakPolarHBondContact O-CB 3.36Å; N727-D730 PolarHBondContact O-N 3.46Å |
| 728 | L | 73.9 | Confident | 88 | Confident | 150 Ų | 150 | 30.1 Ų | 30.1 | 79% | 0.785 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.4 | 178.9 | -66.1 | 174.3 | 0 | 0 | 0 | 113.1 | D730 | L728-D730 VanDerWaalsContact C-N 3.35Š|
| 729 | T | 77.6 | Confident | 88.3 | Confident | 98 Ų | 98 | 30.6 Ų | 30.6 | 60% | 0.601 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.8 | 177.3 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | N727 | N727-T729 PolarHBondContact O-N 3.31Å; N727-T729 PolarHBondContact OD1-N 3.11Å; N727-T729 PolarHBondContact OD1-OG1 3.15Å |
| 730 | D | 84.7 | Confident | 88.3 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -74.9 | 148.8 | -174.7 | -71.2 | -8.1 | 0 | 0 | 0 | 111.7 | T19 T726 N727 L728 | T19-D730 WeakPolarHBondContact CG2-OD1 3.48Å; T19-D730 PolarHBondContact N-OD2 3.12Å; T19-D730 PolarHBondContact OG1-OD2 3.37Å; T726-D730 PolarHBondContact OG1-OD2 2.93Å; N727-D730 PolarHBondContact N-OD2 3.18Å; N727-D730 WeakPolarHBondContact O-CB 3.36Å; N727-D730 PolarHBondContact O-N 3.46Å; L728-D730 VanDerWaalsContact C-N 3.35Å |
| 731 | P | 86.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 29.2 Ų | 29.2 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 156.6 | 169.5 | 27.3 | -27.8 | 0 | 0 | 0 | 111.1 | T16 K453 V454 M733 | T16-P731 WeakPolarHBondContact OG1-CG 3.27Å; K453-P731 HydrophobicContact CB-CB 4.24Å; V454-P731 CarbonylContact O-C 3.5Å; V454-P731 VanDerWaalsContact O-CA 3.23Å; V454-P731 WeakPolarHBondContact O-CA 3.41Å; V454-P731 VanDerWaalsContact O-CB 3.3Å; V454-P731 WeakPolarHBondContact O-CB 3.48Å; P731-M733 PolarHBondContact O-N 3.29Å |
| 732 | D | 88.3 | Confident | 88.1 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -63 | 124 | 176.3 | -73.7 | -11.7 | 0 | 0 | 0 | 110.5 | V454 A456 S457 A723 K725 | V454-D732 HydrophobicContact CG1-CB 4.21Å; V454-D732 PolarHBondContact O-N 3.18Å; A456-D732 WeakPolarHBondContact CA-OD2 3.48Å; A456-D732 PolarHBondContact N-OD2 2.8Å; S457-D732 WeakPolarHBondContact CB-OD2 3.46Å; S457-D732 PolarHBondContact N-OD2 3.2Å; S457-D732 PolarHBondContact OG-OD2 2.98Å; A723-D732 HydrophobicContact CB-CB 4.06Å; K725-D732 WeakPolarHBondContact CE-OD1 3.44Å; K725-D732 WeakPolarHBondContact CG-OD1 3.38Å; K725-D732 IonicContact NZ-OD1 3.75Å |
| 733 | M | 90.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 145.1 | 158.6 | 71.2 | -177.1 | 78.8 | 0 | 0 | 109.3 | W13 P18 A723 M724 T726 P731 | W13-M733 HydrophobicContact CE3-SD 4.24Å; W13-M733 HydrophobicContact CH2-SD 4.03Å; W13-M733 HydrophobicContact CZ3-CE 3.81Å; W13-M733 HydrophobicContact CZ3-SD 3.6Å; P18-M733 HydrophobicContact CB-CE 4.08Å; A723-M733 CarbonylContact C-O 3.56Å; A723-M733 WeakPolarHBondContact CA-O 3.25Å; M724-M733 HydrophobicContact CB-CG 3.91Å; M724-M733 HydrophobicContact CB-SD 4.47Å; M724-M733 HydrophobicContact CE-SD 4.36Å; M724-M733 PolarHBondContact N-O 2.94Å; M724-M733 WeakPolarHBondContact O-CG 3.09Å; M724-M733 PolarHBondContact O-N 3.47Å; T726-M733 HydrophobicContact CG2-CE 3.87Å; P731-M733 PolarHBondContact O-N 3.29Å |
| 734 | H | 93.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.1 | -178.3 | -58.7 | 90.3 | 0 | 0 | 0 | 110.9 | L12 I438 S457 V721 Q722 | L12-H734 PolarHBondContact N-O 3.5Å; I438-H734 VanDerWaalsContact CG2-ND1 3.31Å; I438-H734 WeakPolarHBondContact CG2-ND1 3.46Å; S457-H734 PolarHBondContact OG-NE2 3.21Å; V721-H734 HydrophobicContact CG1-CB 4.07Å; Q722-H734 WeakPolarHBondContact O-CA 3.33Å |
| 735 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.1 | 172.7 | -174 | 0 | 0 | 0 | 0 | 109.1 | P9 V11 V721 Q722 M724 F737 L878 | P9-V735 HydrophobicContact CB-CG1 3.6Å; V11-V735 HydrophobicContact CG1-CG2 4.28Å; V11-V735 HydrophobicContact CG2-CG1 4.37Å; V11-V735 HydrophobicContact CG2-CG2 4.19Å; V721-V735 WeakPolarHBondContact CA-O 3.22Å; Q722-V735 PolarHBondContact N-O 3.44Å; Q722-V735 PolarHBondContact O-N 3.09Å; M724-V735 HydrophobicContact CE-CG2 3.39Å; M724-V735 HydrophobicContact CG-CG2 4.46Å; M724-V735 HydrophobicContact SD-CG2 4.23Å; V735-F737 HydrophobicContact CB-CE2 4.02Å; V735-F737 HydrophobicContact CB-CZ 4.17Å; V735-F737 HydrophobicContact CG1-CD1 4.35Å; V735-F737 HydrophobicContact CG1-CD2 4.28Å; V735-F737 HydrophobicContact CG1-CE1 3.89Å; V735-F737 HydrophobicContact CG1-CE2 3.81Å; V735-F737 HydrophobicContact CG1-CZ 3.6Å; V735-L878 HydrophobicContact CG2-CD1 4.27Å |
| 736 | L | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 105.2 | 178.5 | -65.5 | 85.2 | 0 | 0 | 0 | 108.4 | P9 I10 L12 A484 L719 V721 F738 L834 | P9-L736 CarbonylContact C-O 3.52Å; P9-L736 WeakPolarHBondContact CA-O 3.12Å; I10-L736 HydrophobicContact CB-CB 4.43Å; I10-L736 PolarHBondContact N-O 3.14Å; I10-L736 WeakPolarHBondContact O-CD1 3Å; I10-L736 PolarHBondContact O-N 3.07Å; L12-L736 HydrophobicContact CD1-CD1 3.78Å; L12-L736 HydrophobicContact CG-CD1 3.83Å; A484-L736 HydrophobicContact CB-CD2 3.67Å; L719-L736 HydrophobicContact CD1-CB 3.91Å; L719-L736 HydrophobicContact CD1-CD2 4.38Å; L719-L736 HydrophobicContact CD1-CG 4.46Å; V721-L736 HydrophobicContact CG2-CG 4.24Å; L736-F738 HydrophobicContact CB-CD2 4.37Å; L736-F738 HydrophobicContact CB-CE2 3.67Å; L736-F738 HydrophobicContact CB-CZ 4.3Å; L736-F738 HydrophobicContact CD2-CE2 4.39Å; L736-F738 HydrophobicContact CD2-CZ 4.29Å; L736-F738 WeakPolarHBondContact O-CD2 3.47Å; L736-L834 HydrophobicContact CD2-CD2 4.26Å |
| 737 | F | 93.5 | Very high | 89 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 4% | 0.044 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.8 | 175.1 | -64.4 | -76 | 0 | 0 | 0 | 110.1 | V7 P9 L719 V720 Q722 V735 I870 M876 | V7-F737 HydrophobicContact CG1-CB 4.04Å; V7-F737 HydrophobicContact CG1-CD1 4.04Å; P9-F737 HydrophobicContact CB-CD1 3.79Å; P9-F737 HydrophobicContact CB-CE1 3.73Å; P9-F737 HydrophobicContact CG-CE1 4.44Å; L719-F737 WeakPolarHBondContact CA-O 3.25Å; V720-F737 HydrophobicContact CB-CB 4.36Å; V720-F737 PolarHBondContact N-O 3.26Å; V720-F737 PolarHBondContact O-N 2.63Å; Q722-F737 HydrophobicContact CB-CD2 4.12Å; Q722-F737 HydrophobicContact CB-CE2 3.63Å; Q722-F737 HydrophobicContact CG-CE2 4.42Å; Q722-F737 VanDerWaalsContact OE1-CE2 3.26Å; V735-F737 HydrophobicContact CB-CE2 4.02Å; V735-F737 HydrophobicContact CB-CZ 4.17Å; V735-F737 HydrophobicContact CG1-CD1 4.35Å; V735-F737 HydrophobicContact CG1-CD2 4.28Å; V735-F737 HydrophobicContact CG1-CE1 3.89Å; V735-F737 HydrophobicContact CG1-CE2 3.81Å; V735-F737 HydrophobicContact CG1-CZ 3.6Å; F737-I870 HydrophobicContact CD1-CD1 3.58Å; F737-I870 HydrophobicContact CE1-CD1 3.44Å; F737-I870 VanDerWaalsContact CE1-CD1 3.44Å; F737-I870 HydrophobicContact CE1-CG1 4.07Å; F737-M876 HydrophobicContact CE1-SD 4.24Å; F737-M876 HydrophobicContact CZ-SD 3.88Å |
| 738 | F | 94.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.2 | 173.2 | -66.5 | -91.3 | 0 | 0 | 0 | 109.3 | V7 L8 I10 A718 L719 L736 T831 L834 F835 | V7-F738 VanDerWaalsContact CA-O 3.3Å; V7-F738 WeakPolarHBondContact CA-O 3.47Å; L8-F738 PolarHBondContact N-O 3.4Å; L8-F738 PolarHBondContact O-N 2.98Å; I10-F738 HydrophobicContact CB-CE2 4.24Å; I10-F738 HydrophobicContact CD1-CD2 4.21Å; I10-F738 HydrophobicContact CD1-CE2 3.77Å; I10-F738 HydrophobicContact CG1-CD2 4.32Å; I10-F738 HydrophobicContact CG1-CE2 4.1Å; A718-F738 WeakPolarHBondContact O-CA 3.2Å; L719-F738 HydrophobicContact CD1-CD1 4.16Å; L719-F738 HydrophobicContact CD1-CD2 4.41Å; L719-F738 HydrophobicContact CD1-CE1 3.89Å; L719-F738 HydrophobicContact CD1-CE2 4.14Å; L719-F738 HydrophobicContact CD1-CG 4.42Å; L719-F738 HydrophobicContact CD1-CZ 3.87Å; L736-F738 HydrophobicContact CB-CD2 4.37Å; L736-F738 HydrophobicContact CB-CE2 3.67Å; L736-F738 HydrophobicContact CB-CZ 4.3Å; L736-F738 HydrophobicContact CD2-CE2 4.39Å; L736-F738 HydrophobicContact CD2-CZ 4.29Å; L736-F738 WeakPolarHBondContact O-CD2 3.47Å; F738-T831 HydrophobicContact CD1-CG2 3.99Å; F738-T831 HydrophobicContact CE1-CG2 3.82Å; F738-L834 HydrophobicContact CE1-CD2 4.35Å; F738-L834 HydrophobicContact CZ-CD2 3.82Å; F738-L834 HydrophobicContact CZ-CG 4.04Å; F738-F835 HydrophobicContact CB-CD1 4.38Å; F738-F835 HydrophobicContact CB-CD2 3.84Å; F738-F835 HydrophobicContact CB-CE1 4.26Å; F738-F835 HydrophobicContact CB-CE2 3.7Å; F738-F835 HydrophobicContact CB-CG 4.19Å; F738-F835 HydrophobicContact CB-CZ 3.91Å; F738-F835 HydrophobicContact CD1-CB 3.7Å; F738-F835 HydrophobicContact CD1-CD1 4.38Å; F738-F835 AromaticContact CD1-CD2 3.78Å; F738-F835 HydrophobicContact CD1-CD2 3.78Å; F738-F835 AromaticContact CD1-CG 3.71Å; F738-F835 HydrophobicContact CD1-CG 3.71Å; F738-F835 AromaticContact CD2-CD2 3.7Å; F738-F835 HydrophobicContact CD2-CD2 3.7Å; F738-F835 HydrophobicContact CD2-CE2 4.01Å; F738-F835 HydrophobicContact CD2-CG 4.47Å; F738-F835 HydrophobicContact CE1-CB 3.72Å; F738-F835 HydrophobicContact CE1-CD2 4.23Å; F738-F835 HydrophobicContact CE1-CG 4.17Å; F738-F835 HydrophobicContact CE2-CD2 4.18Å; F738-F835 HydrophobicContact CG-CB 4.32Å; F738-F835 HydrophobicContact CG-CD1 4.5Å; F738-F835 AromaticContact CG-CD2 3.48Å; F738-F835 HydrophobicContact CG-CD2 3.48Å; F738-F835 VanDerWaalsContact CG-CD2 3.48Å; F738-F835 AromaticContact CG-CE2 3.82Å; F738-F835 HydrophobicContact CG-CE2 3.82Å; F738-F835 AromaticContact CG-CG 3.87Å; F738-F835 HydrophobicContact CG-CG 3.87Å; F738-F835 HydrophobicContact CG-CZ 4.46Å; F738-F835 HydrophobicContact CZ-CB 4.37Å; F738-F835 HydrophobicContact CZ-CD2 4.42Å |
| 739 | D | 92.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107.6 | 169.8 | -174.2 | -34.5 | 0 | 0 | 0 | 108.2 | N5 V7 A718 E741 A742 L743 | N5-D739 PolarHBondContact ND2-OD2 3.41Å; V7-D739 HydrophobicContact CG2-CB 4.24Å; A718-D739 PolarHBondContact O-N 2.8Å; D739-E741 PolarHBondContact OD1-N 2.64Å; D739-E741 VanDerWaalsContact OD1-N 3.13Å; D739-A742 HydrophobicContact CB-CB 3.85Å; D739-A742 PolarHBondContact O-N 3.03Å; D739-A742 PolarHBondContact OD1-N 3.06Å; D739-L743 WeakPolarHBondContact O-CB 3.36Å; D739-L743 PolarHBondContact O-N 2.72Å |
| 740 | V | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -173.2 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | L6 L743 I744 F835 S923 L927 | L6-V740 HydrophobicContact CB-CB 4.31Å; L6-V740 HydrophobicContact CB-CG2 4.46Å; L6-V740 HydrophobicContact CD2-CB 4Å; L6-V740 HydrophobicContact CD2-CG1 4.17Å; L6-V740 HydrophobicContact CD2-CG2 3.96Å; L6-V740 HydrophobicContact CG-CB 4.14Å; L6-V740 HydrophobicContact CG-CG2 3.88Å; L6-V740 WeakPolarHBondContact O-CG2 3.14Å; L6-V740 PolarHBondContact O-N 3.43Å; V740-L743 PolarHBondContact O-N 3.37Å; V740-I744 HydrophobicContact CG1-CD1 3.89Å; V740-I744 HydrophobicContact CG1-CG1 4.49Å; V740-I744 VanDerWaalsContact O-CG1 3.24Å; V740-I744 WeakPolarHBondContact O-CG1 3.48Å; V740-I744 PolarHBondContact O-N 3Å; V740-F835 HydrophobicContact CG2-CE1 3.77Å; V740-F835 HydrophobicContact CG2-CZ 3.99Å; V740-S923 WeakPolarHBondContact CG2-OG 3.29Å; V740-L927 HydrophobicContact CG1-CD1 4.38Å; V740-L927 HydrophobicContact CG1-CG 4.15Å |
| 741 | E | 91.1 | Very high | 90 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 179.9 | -66 | 172.8 | -134.5 | 0 | 0 | 110.1 | N5 L6 D739 L743 I744 I745 R1015 C1020 V1023 | N5-E741 WeakPolarHBondContact CA-OE1 3.38Å; L6-E741 PolarHBondContact N-OE1 3.42Å; L6-E741 VanDerWaalsContact N-OE1 3.13Å; D739-E741 PolarHBondContact OD1-N 2.64Å; D739-E741 VanDerWaalsContact OD1-N 3.13Å; E741-L743 VanDerWaalsContact C-N 3.32Å; E741-L743 PolarHBondContact O-N 3.23Å; E741-I744 PolarHBondContact O-N 3.26Å; E741-I745 WeakPolarHBondContact O-CB 3.31Å; E741-I745 WeakPolarHBondContact O-CD1 3.27Å; E741-I745 WeakPolarHBondContact O-CG1 3.37Å; E741-I745 PolarHBondContact O-N 2.9Å; E741-R1015 IonicContact OE1-NH1 2.64Å; E741-R1015 PolarHBondContact OE1-NH1 2.93Å; E741-C1020 HydrophobicContact CG-CB 3.96Å; E741-V1023 HydrophobicContact CG-CG2 4.25Å |
| 742 | A | 89.9 | Confident | 89.8 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 5% | 0.05 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D739 I745 Q746 | D739-A742 HydrophobicContact CB-CB 3.85Å; D739-A742 PolarHBondContact O-N 3.03Å; D739-A742 PolarHBondContact OD1-N 3.06Å; A742-I745 PolarHBondContact O-N 3.32Å; A742-Q746 WeakPolarHBondContact O-CB 3.5Å; A742-Q746 VanDerWaalsContact O-CG 3.29Å; A742-Q746 WeakPolarHBondContact O-CG 3.35Å; A742-Q746 PolarHBondContact O-N 3.49Å |
| 743 | L | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.4 | -177.2 | 58.2 | 0 | 0 | 0 | 112.3 | A718 D739 V740 E741 Q746 L747 T828 T831 A832 F835 L927 | A718-L743 HydrophobicContact CB-CB 3.74Å; A718-L743 HydrophobicContact CB-CD1 3.74Å; A718-L743 HydrophobicContact CB-CG 4.31Å; D739-L743 WeakPolarHBondContact O-CB 3.36Å; D739-L743 PolarHBondContact O-N 2.72Å; V740-L743 PolarHBondContact O-N 3.37Å; E741-L743 VanDerWaalsContact C-N 3.32Å; E741-L743 PolarHBondContact O-N 3.23Å; L743-Q746 PolarHBondContact O-N 3.5Å; L743-L747 HydrophobicContact CD1-CD1 4.38Å; L743-L747 HydrophobicContact CD1-CG 4.33Å; L743-L747 HydrophobicContact CG-CD1 4.17Å; L743-L747 WeakPolarHBondContact O-CB 3.23Å; L743-L747 VanDerWaalsContact O-CG 3.29Å; L743-L747 WeakPolarHBondContact O-CG 3.3Å; L743-L747 PolarHBondContact O-N 3.41Å; L743-T828 HydrophobicContact CD1-CG2 3.89Å; L743-T831 HydrophobicContact CD1-CG2 4.22Å; L743-A832 HydrophobicContact CD1-CB 4.34Å; L743-A832 HydrophobicContact CD2-CB 4.26Å; L743-F835 HydrophobicContact CD2-CD1 4.23Å; L743-L927 HydrophobicContact CD2-CD1 4.06Å; L743-L927 HydrophobicContact CD2-CD2 3.81Å; L743-L927 HydrophobicContact CG-CD2 4.01Å |
| 744 | I | 91.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 176 | -70.1 | 165.9 | 0 | 0 | 0 | 110.1 | V740 E741 Q746 L747 L748 L927 T930 E1022 V1023 | V740-I744 HydrophobicContact CG1-CD1 3.89Å; V740-I744 HydrophobicContact CG1-CG1 4.49Å; V740-I744 VanDerWaalsContact O-CG1 3.24Å; V740-I744 WeakPolarHBondContact O-CG1 3.48Å; V740-I744 PolarHBondContact O-N 3Å; E741-I744 PolarHBondContact O-N 3.26Å; I744-Q746 VanDerWaalsContact C-N 3.33Å; I744-Q746 PolarHBondContact O-N 2.82Å; I744-L747 PolarHBondContact O-N 3.03Å; I744-L748 HydrophobicContact CG2-CD1 3.84Å; I744-L748 HydrophobicContact CG2-CG 4.39Å; I744-L748 WeakPolarHBondContact O-CB 3.17Å; I744-L748 WeakPolarHBondContact O-CG 3.41Å; I744-L748 PolarHBondContact O-N 3.46Å; I744-L927 HydrophobicContact CD1-CD2 4.44Å; I744-L927 HydrophobicContact CG1-CD2 3.7Å; I744-T930 HydrophobicContact CG2-CG2 4.02Å; I744-E1022 HydrophobicContact CD1-CB 4.18Å; I744-E1022 HydrophobicContact CG2-CG 4.45Å; I744-V1023 HydrophobicContact CD1-CG2 4.14Å |
| 745 | I | 89.3 | Confident | 86.2 | Confident | 67 Ų | 67 | 38.8 Ų | 38.8 | 34% | 0.344 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -45.3 | 178.5 | -67.9 | 164.5 | 0 | 0 | 0 | 110.5 | Y714 E741 A742 T749 | Y714-I745 HydrophobicContact CD1-CD1 3.83Å; Y714-I745 HydrophobicContact CE1-CD1 3.72Å; Y714-I745 HydrophobicContact CG-CD1 4.45Å; E741-I745 WeakPolarHBondContact O-CB 3.31Å; E741-I745 WeakPolarHBondContact O-CD1 3.27Å; E741-I745 WeakPolarHBondContact O-CG1 3.37Å; E741-I745 PolarHBondContact O-N 2.9Å; A742-I745 PolarHBondContact O-N 3.32Å; I745-T749 VanDerWaalsContact O-CB 3.26Å; I745-T749 WeakPolarHBondContact O-CB 3.07Å; I745-T749 PolarHBondContact O-N 3.42Å; I745-T749 PolarHBondContact O-OG1 3.41Å |
| 746 | Q | 88 | Confident | 83.8 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.7 | -75.2 | -177 | -6.7 | 0 | 0 | 112.1 | H716 A742 L743 I744 L748 T749 E750 T828 | H716-Q746 PolarHBondContact O-NE2 3.41Å; A742-Q746 WeakPolarHBondContact O-CB 3.5Å; A742-Q746 VanDerWaalsContact O-CG 3.29Å; A742-Q746 WeakPolarHBondContact O-CG 3.35Å; A742-Q746 PolarHBondContact O-N 3.49Å; L743-Q746 PolarHBondContact O-N 3.5Å; I744-Q746 VanDerWaalsContact C-N 3.33Å; I744-Q746 PolarHBondContact O-N 2.82Å; Q746-L748 PolarHBondContact O-N 2.78Å; Q746-T749 PolarHBondContact O-N 2.72Å; Q746-E750 WeakPolarHBondContact O-CG 3.5Å; Q746-E750 PolarHBondContact O-N 2.94Å; Q746-T828 HydrophobicContact CB-CG2 3.65Å |
| 747 | L | 89.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 178.1 | -75.3 | 169.6 | 0 | 0 | 0 | 111.7 | L743 I744 E751 T828 M829 A832 L927 T930 L931 M934 | L743-L747 HydrophobicContact CD1-CD1 4.38Å; L743-L747 HydrophobicContact CD1-CG 4.33Å; L743-L747 HydrophobicContact CG-CD1 4.17Å; L743-L747 WeakPolarHBondContact O-CB 3.23Å; L743-L747 VanDerWaalsContact O-CG 3.29Å; L743-L747 WeakPolarHBondContact O-CG 3.3Å; L743-L747 PolarHBondContact O-N 3.41Å; I744-L747 PolarHBondContact O-N 3.03Å; L747-E751 WeakPolarHBondContact O-CB 3.33Å; L747-E751 PolarHBondContact O-N 3.22Å; L747-T828 HydrophobicContact CD2-CG2 3.71Å; L747-T828 HydrophobicContact CG-CG2 3.83Å; L747-M829 HydrophobicContact CD2-CG 4.47Å; L747-M829 HydrophobicContact CD2-SD 3.66Å; L747-A832 HydrophobicContact CD1-CB 4.2Å; L747-A832 HydrophobicContact CD2-CB 4.4Å; L747-L927 HydrophobicContact CD1-CD2 4.19Å; L747-T930 HydrophobicContact CB-CG2 4.49Å; L747-L931 HydrophobicContact CD1-CD2 4.27Å; L747-M934 HydrophobicContact CB-CE 4.23Å; L747-M934 HydrophobicContact CB-SD 4.04Å; L747-M934 HydrophobicContact CD2-CE 4.27Å |
| 748 | L | 87.9 | Confident | 78.8 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | 178.9 | -66.4 | 176.2 | 0 | 0 | 0 | 112.2 | I744 Q746 E751 A752 T930 | I744-L748 HydrophobicContact CG2-CD1 3.84Å; I744-L748 HydrophobicContact CG2-CG 4.39Å; I744-L748 WeakPolarHBondContact O-CB 3.17Å; I744-L748 WeakPolarHBondContact O-CG 3.41Å; I744-L748 PolarHBondContact O-N 3.46Å; Q746-L748 PolarHBondContact O-N 2.78Å; L748-E751 PolarHBondContact O-N 2.96Å; L748-A752 WeakPolarHBondContact O-CB 3.38Å; L748-A752 PolarHBondContact O-N 3.49Å; L748-T930 HydrophobicContact CD2-CG2 3.92Å; L748-T930 HydrophobicContact CG-CG2 4.02Å |
| 749 | T | 86.3 | Confident | 76.3 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 111 | I745 Q746 E751 A752 Q753 | I745-T749 VanDerWaalsContact O-CB 3.26Å; I745-T749 WeakPolarHBondContact O-CB 3.07Å; I745-T749 PolarHBondContact O-N 3.42Å; I745-T749 PolarHBondContact O-OG1 3.41Å; Q746-T749 PolarHBondContact O-N 2.72Å; T749-E751 VanDerWaalsContact C-N 3.33Å; T749-E751 PolarHBondContact O-N 2.9Å; T749-A752 PolarHBondContact O-N 3.35Å; T749-Q753 VanDerWaalsContact O-CG 3.31Å; T749-Q753 WeakPolarHBondContact O-CG 3.32Å; T749-Q753 PolarHBondContact O-N 3.1Å; T749-Q753 VanDerWaalsContact O-N 3.09Å |
| 750 | E | 82 | Confident | 73.5 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.229 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176.3 | -74.4 | -175.6 | -174.4 | 0 | 0 | 112.3 | Q746 Q753 R754 N826 T828 | Q746-E750 WeakPolarHBondContact O-CG 3.5Å; Q746-E750 PolarHBondContact O-N 2.94Å; E750-Q753 PolarHBondContact O-N 3.21Å; E750-R754 PolarHBondContact O-N 3.23Å; E750-N826 VanDerWaalsContact OE2-CG 3.24Å; E750-N826 PolarHBondContact OE2-ND2 3.25Å; E750-N826 PolarHBondContact OE2-OD1 3.07Å; E750-T828 WeakPolarHBondContact OE1-CB 3.48Å; E750-T828 PolarHBondContact OE1-OG1 3.3Å |
| 751 | E | 82.5 | Confident | 70.5 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 15% | 0.145 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.8 | -174.2 | 67.8 | -173.3 | 0 | 0 | 111.6 | L747 L748 T749 Q753 R754 M934 T935 | L747-E751 WeakPolarHBondContact O-CB 3.33Å; L747-E751 PolarHBondContact O-N 3.22Å; L748-E751 PolarHBondContact O-N 2.96Å; T749-E751 VanDerWaalsContact C-N 3.33Å; T749-E751 PolarHBondContact O-N 2.9Å; E751-Q753 PolarHBondContact O-N 3.18Å; E751-R754 WeakPolarHBondContact O-CB 3.5Å; E751-R754 PolarHBondContact O-N 3.18Å; E751-R754 IonicContact OE1-NH1 2.89Å; E751-R754 IonicContact OE2-CZ 3.65Å; E751-R754 IonicContact OE2-NE 3.62Å; E751-R754 IonicContact OE2-NH1 3.14Å; E751-R754 PolarHBondContact OE2-NH1 3.38Å; E751-R754 IonicContact OE2-NH2 2.91Å; E751-M934 HydrophobicContact CB-CE 4.03Å; E751-M934 HydrophobicContact CB-CG 4.39Å; E751-M934 HydrophobicContact CG-CB 4.4Å; E751-M934 HydrophobicContact CG-CG 4.18Å; E751-T935 WeakPolarHBondContact OE1-CA 3.44Å; E751-T935 VanDerWaalsContact OE1-CB 3.28Å; E751-T935 WeakPolarHBondContact OE1-CB 3.37Å; E751-T935 PolarHBondContact OE1-N 3.39Å; E751-T935 PolarHBondContact OE1-OG1 2.95Å |
| 752 | A | 80.5 | Confident | 67.8 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.8 | -27 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L748 T749 | L748-A752 WeakPolarHBondContact O-CB 3.38Å; L748-A752 PolarHBondContact O-N 3.49Å; T749-A752 PolarHBondContact O-N 3.35Å |
| 753 | Q | 75.6 | Confident | 65.1 | Low | 146 Ų | 146 | 84.6 Ų | 84.6 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -80 | -13.4 | 176.6 | -72.5 | 176.3 | 2.3 | 0 | 0 | 113.4 | T749 E750 E751 | T749-Q753 VanDerWaalsContact O-CG 3.31Å; T749-Q753 WeakPolarHBondContact O-CG 3.32Å; T749-Q753 PolarHBondContact O-N 3.1Å; T749-Q753 VanDerWaalsContact O-N 3.09Å; E750-Q753 PolarHBondContact O-N 3.21Å; E751-Q753 PolarHBondContact O-N 3.18Å |
| 754 | R | 68.2 | Low | 62.4 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -65.3 | 130.5 | 178.6 | -72.4 | -174.1 | -174.3 | 147.5 | 13.8 | 110.5 | E750 E751 N756 T935 | E750-R754 PolarHBondContact O-N 3.23Å; E751-R754 WeakPolarHBondContact O-CB 3.5Å; E751-R754 PolarHBondContact O-N 3.18Å; E751-R754 IonicContact OE1-NH1 2.89Å; E751-R754 IonicContact OE2-CZ 3.65Å; E751-R754 IonicContact OE2-NE 3.62Å; E751-R754 IonicContact OE2-NH1 3.14Å; E751-R754 PolarHBondContact OE2-NH1 3.38Å; E751-R754 IonicContact OE2-NH2 2.91Å; R754-N756 PolarHBondContact O-N 3.43Å; R754-T935 PolarHBondContact NH1-O 3.38Å |
| 755 | P | 54.1 | Low | 59.7 | Low | 122 Ų | 122 | 98.3 Ų | 98.3 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | trans | -64.8 | 113.3 | 177.2 | 24 | -30.6 | 0 | 0 | 0 | 109.5 | P757 | P755-P757 VanDerWaalsContact O-CD 3.28Å; P755-P757 WeakPolarHBondContact O-CD 3.39Å | ||
| 756 | N | 43 | Very low | 57.1 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 60% | 0.599 | 58% | 0.579 | S | S | * | * | trans | -63.5 | 118.4 | 174.9 | -99.4 | -25.9 | 0 | 0 | 0 | 109.7 | R754 T758 | R754-N756 PolarHBondContact O-N 3.43Å; N756-T758 PolarHBondContact O-N 3.27Å; N756-T758 VanDerWaalsContact O-N 3.11Å | ||
| 757 | P | 41.3 | Very low | 54.7 | Low | 120 Ų | 120 | 111.2 Ų | 111.2 | 78% | 0.779 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 0.3 | 178.8 | 29.3 | -33.1 | 0 | 0 | 0 | 113.2 | P755 | P755-P757 VanDerWaalsContact O-CD 3.28Å; P755-P757 WeakPolarHBondContact O-CD 3.39Å |
| 758 | T | 43.8 | Very low | 51.9 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 0.2 | -175.3 | 47.7 | 0 | 0 | 0 | 0 | 114.6 | N756 | N756-T758 PolarHBondContact O-N 3.27Å; N756-T758 VanDerWaalsContact O-N 3.11Å |
| 759 | L | 40.1 | Very low | 49.3 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.5 | 32.6 | 179.6 | -73.8 | 172.8 | 0 | 0 | 0 | 114 | ||
| 760 | V | 34.8 | Very low | 46.7 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -124.2 | 68.7 | 163.5 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 761 | S | 30.1 | Very low | 44.2 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 48% | 0.483 | 73% | 0.73 | S | S | . | * | trans | -148.5 | 118.3 | 147.9 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | E763 | S761-E763 PolarHBondContact O-N 2.93Š| ||
| 762 | P | 33.3 | Very low | 41.8 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 42 | -178 | 33.9 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 763 | E | 34.1 | Very low | 39.3 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | -8.3 | -175.2 | -72.8 | -168.5 | 160.9 | 0 | 0 | 115.4 | S761 | S761-E763 PolarHBondContact O-N 2.93Š|
| 764 | T | 34.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -98.1 | 4.4 | -179.7 | 39.6 | 0 | 0 | 0 | 0 | 115.1 | Q766 | T764-Q766 PolarHBondContact O-N 3.46Š|
| 765 | L | 35.1 | Very low | 35.4 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 10.8 | -178 | -106.3 | 156.4 | 0 | 0 | 0 | 115.7 | ||
| 766 | Q | 35.2 | Very low | 34.3 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 1.9 | -177.8 | -109.4 | 179.8 | 10.5 | 0 | 0 | 117.7 | T764 | T764-Q766 PolarHBondContact O-N 3.46Š|
| 767 | K | 36.7 | Very low | 34.2 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -145.6 | 79.7 | 175.4 | -74.8 | -173.7 | 179.8 | 172.4 | 0 | 113.6 | ||
| 768 | S | 29.5 | Very low | 33.8 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -164.7 | 72.4 | 151.9 | 58.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 769 | Q | 34.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 138.2 Ų | 138.2 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | trans | -107.6 | 100.2 | 151.9 | -89.4 | -174.6 | -12.5 | 0 | 0 | 107 | ||||
| 770 | A | 32.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 159 | 128.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 771 | G | 29 | Very low | 33.3 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 125.2 | 91 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 772 | A | 32.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -75.2 | 129.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 773 | D | 27.8 | Very low | 33.8 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -155.8 | 123.9 | 142 | -102.2 | -22.4 | 0 | 0 | 0 | 108 | ||||
| 774 | K | 33 | Very low | 34.1 | Very low | 212 Ų | 212 | 134.9 Ų | 134.9 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 124.8 | -170.3 | -77.5 | -176.7 | 176.3 | 178 | 0 | 110.5 | ||||
| 775 | G | 28.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -166.2 | 107.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 776 | G | 32.4 | Very low | 34.3 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 92.2 | 130.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 777 | S | 40.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 77.4 | 58.5 | 169.5 | -166.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 778 | F | 32.1 | Very low | 34.4 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -119.7 | -9 | 169 | -115.3 | -93.5 | 0 | 0 | 0 | 115.5 | ||
| 779 | L | 38.9 | Very low | 34.7 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -90.2 | -36.3 | -176 | -97.7 | 145.3 | 0 | 0 | 0 | 114 | N781 K782 I783 | L779-N781 PolarHBondContact O-N 2.82Å; L779-K782 PolarHBondContact O-N 3.37Å; L779-I783 PolarHBondContact O-N 3.4Å |
| 780 | A | 37.2 | Very low | 34.9 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K782 F784 | A780-K782 PolarHBondContact O-N 3.04Å; A780-F784 WeakPolarHBondContact O-CB 3.47Å; A780-F784 PolarHBondContact O-N 3.27Å |
| 781 | N | 33.2 | Very low | 35.2 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.4 | -23.3 | -180 | -85.2 | -16.4 | 0 | 0 | 0 | 114 | L779 K785 | L779-N781 PolarHBondContact O-N 2.82Å; N781-K785 PolarHBondContact O-N 3.11Å |
| 782 | K | 34.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.5 | -39 | -176.9 | -147.4 | 177.5 | -176.3 | -173.5 | 0 | 111.4 | L779 A780 K785 Q786 | L779-K782 PolarHBondContact O-N 3.37Å; A780-K782 PolarHBondContact O-N 3.04Å; K782-K785 PolarHBondContact O-N 3.39Å; K782-Q786 PolarHBondContact O-N 3.14Å |
| 783 | I | 40.3 | Very low | 35.7 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.8 | -42 | 174.8 | -61.9 | 172.1 | 0 | 0 | 0 | 110.1 | L779 K785 Q786 V787 | L779-I783 PolarHBondContact O-N 3.4Å; I783-K785 PolarHBondContact O-N 2.66Å; I783-Q786 PolarHBondContact O-N 3.01Å; I783-V787 WeakPolarHBondContact O-CG2 3.33Å; I783-V787 PolarHBondContact O-N 3.32Å |
| 784 | F | 40.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 60% | 0.596 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 178.4 | -170.3 | -104.4 | 0 | 0 | 0 | 113.6 | A780 Q786 K788 | A780-F784 WeakPolarHBondContact O-CB 3.47Å; A780-F784 PolarHBondContact O-N 3.27Å; F784-Q786 VanDerWaalsContact C-N 3.33Å; F784-K788 VanDerWaalsContact O-CB 3.32Å; F784-K788 WeakPolarHBondContact O-CB 3.37Å; F784-K788 PolarHBondContact O-N 2.91Å |
| 785 | K | 37.4 | Very low | 36.7 | Very low | 151 Ų | 151 | 119 Ų | 119 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -35.8 | 176.3 | -138.5 | 177.1 | -174 | -176.6 | 0 | 111.7 | N781 K782 I783 E789 | N781-K785 PolarHBondContact O-N 3.11Å; K782-K785 PolarHBondContact O-N 3.39Å; I783-K785 PolarHBondContact O-N 2.66Å; K785-E789 WeakPolarHBondContact O-CB 3.45Å; K785-E789 VanDerWaalsContact O-CG 3.31Å; K785-E789 WeakPolarHBondContact O-CG 3.22Å; K785-E789 PolarHBondContact O-N 3.39Å |
| 786 | Q | 35.8 | Very low | 37 | Very low | 141 Ų | 141 | 123 Ų | 123 | 66% | 0.659 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.4 | -37.9 | 179.6 | -161.6 | 166.7 | -1.2 | 0 | 0 | 112 | K782 I783 F784 T790 | K782-Q786 PolarHBondContact O-N 3.14Å; I783-Q786 PolarHBondContact O-N 3.01Å; F784-Q786 VanDerWaalsContact C-N 3.33Å; Q786-T790 PolarHBondContact O-N 2.9Å; Q786-T790 VanDerWaalsContact O-N 3.09Å; Q786-T790 PolarHBondContact O-OG1 3.19Å |
| 787 | V | 39.2 | Very low | 37.3 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.8 | -39.5 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | I783 T790 M791 | I783-V787 WeakPolarHBondContact O-CG2 3.33Å; I783-V787 PolarHBondContact O-N 3.32Å; V787-T790 VanDerWaalsContact CA-OG1 3.32Å; V787-T790 WeakPolarHBondContact CA-OG1 3.26Å; V787-T790 PolarHBondContact O-N 2.94Å; V787-T790 PolarHBondContact O-OG1 3.09Å; V787-M791 HydrophobicContact CG1-SD 4.32Å; V787-M791 WeakPolarHBondContact O-CG 3.38Å; V787-M791 PolarHBondContact O-N 2.88Å |
| 788 | K | 34.3 | Very low | 37.2 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.5 | -36.2 | 178 | -172 | 175 | 179.5 | 174.8 | 0 | 112.9 | F784 K792 | F784-K788 VanDerWaalsContact O-CB 3.32Å; F784-K788 WeakPolarHBondContact O-CB 3.37Å; F784-K788 PolarHBondContact O-N 2.91Å; K788-K792 WeakPolarHBondContact O-CB 3.49Å; K788-K792 PolarHBondContact O-N 2.7Å |
| 789 | E | 36.5 | Very low | 37.7 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.2 | -39.7 | 175.2 | -71.6 | -66.5 | 143.8 | 0 | 0 | 111.5 | K785 M791 K792 E793 | K785-E789 WeakPolarHBondContact O-CB 3.45Å; K785-E789 VanDerWaalsContact O-CG 3.31Å; K785-E789 WeakPolarHBondContact O-CG 3.22Å; K785-E789 PolarHBondContact O-N 3.39Å; E789-M791 PolarHBondContact O-N 3.46Å; E789-K792 PolarHBondContact O-N 3.11Å; E789-E793 PolarHBondContact O-N 2.68Å |
| 790 | T | 37.3 | Very low | 37.8 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 46% | 0.46 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.8 | -40.6 | 175.3 | 27.6 | 0 | 0 | 0 | 0 | 112.5 | Q786 V787 K792 E793 T794 | Q786-T790 PolarHBondContact O-N 2.9Å; Q786-T790 VanDerWaalsContact O-N 3.09Å; Q786-T790 PolarHBondContact O-OG1 3.19Å; V787-T790 VanDerWaalsContact CA-OG1 3.32Å; V787-T790 WeakPolarHBondContact CA-OG1 3.26Å; V787-T790 PolarHBondContact O-N 2.94Å; V787-T790 PolarHBondContact O-OG1 3.09Å; T790-K792 VanDerWaalsContact C-N 3.29Å; T790-K792 PolarHBondContact O-N 2.86Å; T790-E793 PolarHBondContact O-N 3Å; T790-T794 PolarHBondContact O-N 3.12Å; T790-T794 PolarHBondContact O-OG1 3.42Å |
| 791 | M | 39.9 | Very low | 38.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 61% | 0.606 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -27.8 | 174.8 | -70.7 | -173.3 | 85.3 | 0 | 0 | 113.2 | V787 E789 I795 | V787-M791 HydrophobicContact CG1-SD 4.32Å; V787-M791 WeakPolarHBondContact O-CG 3.38Å; V787-M791 PolarHBondContact O-N 2.88Å; E789-M791 PolarHBondContact O-N 3.46Å; M791-I795 WeakPolarHBondContact O-CD1 3.19Å; M791-I795 WeakPolarHBondContact O-CG1 3.46Å |
| 792 | K | 34.6 | Very low | 38.5 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.4 | -26.8 | 179.4 | -160.4 | -179.3 | -178.8 | -169.1 | 0 | 112.5 | K788 E789 T790 | K788-K792 WeakPolarHBondContact O-CB 3.49Å; K788-K792 PolarHBondContact O-N 2.7Å; E789-K792 PolarHBondContact O-N 3.11Å; T790-K792 VanDerWaalsContact C-N 3.29Å; T790-K792 PolarHBondContact O-N 2.86Å |
| 793 | E | 37.1 | Very low | 38.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.2 | -33 | 171.6 | -77.3 | -179.9 | 153.9 | 0 | 0 | 112.3 | E789 T790 I795 K796 | E789-E793 PolarHBondContact O-N 2.68Å; T790-E793 PolarHBondContact O-N 3Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.42Å; E793-K796 PolarHBondContact O-N 3.01Å |
| 794 | T | 35.5 | Very low | 39 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.2 | -24.2 | 178.5 | -23.9 | 0 | 0 | 0 | 0 | 113.6 | T790 K796 | T790-T794 PolarHBondContact O-N 3.12Å; T790-T794 PolarHBondContact O-OG1 3.42Å; T794-K796 VanDerWaalsContact C-N 3.34Å |
| 795 | I | 44.6 | Very low | 39.2 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -85.5 | -7.1 | -177.9 | -66.7 | 169.8 | 0 | 0 | 0 | 112 | M791 E793 | M791-I795 WeakPolarHBondContact O-CD1 3.19Å; M791-I795 WeakPolarHBondContact O-CG1 3.46Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.42Å |
| 796 | K | 36.3 | Very low | 39.4 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -90.3 | 2.6 | -173.7 | -144.8 | -179.7 | 179.3 | -173.9 | 0 | 115.2 | E793 T794 | E793-K796 PolarHBondContact O-N 3.01Å; T794-K796 VanDerWaalsContact C-N 3.34Å |
| 797 | E | 37.5 | Very low | 39.7 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -107 | 0.5 | -177.3 | -76.2 | -157.4 | 154.4 | 0 | 0 | 115.7 | ||
| 798 | H | 39.5 | Very low | 39.9 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | trans | -123.6 | 79.8 | 177.2 | -73.8 | 56.9 | 0 | 0 | 0 | 110.1 | ||||
| 799 | L | 41.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | trans | -122.5 | 82.6 | 175.5 | -79.8 | 171.2 | 0 | 0 | 0 | 109.4 | E802 | L799-E802 HydrophobicContact CD2-CG 4.24Å; L799-E802 WeakPolarHBondContact CD2-OE1 3.17Å; L799-E802 WeakPolarHBondContact CD2-OE2 3.09Å | ||
| 800 | L | 40.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 85% | 0.848 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -160.6 | 114.4 | 149.9 | -75.4 | -173.4 | 0 | 0 | 0 | 106 | ||
| 801 | D | 43.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | 127.5 | 26.4 | 170.5 | -60.3 | -13.4 | 0 | 0 | 0 | 115 | D803 | D801-D803 PolarHBondContact O-N 2.99Š| ||
| 802 | E | 42 | Very low | 40.7 | Very low | 110 Ų | 110 | 141 Ų | 141 | 51% | 0.514 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -73 | -19 | -176.6 | -64 | -171.6 | 138.4 | 0 | 0 | 115.3 | L799 E806 | L799-E802 HydrophobicContact CD2-CG 4.24Å; L799-E802 WeakPolarHBondContact CD2-OE1 3.17Å; L799-E802 WeakPolarHBondContact CD2-OE2 3.09Å; E802-E806 WeakPolarHBondContact O-CG 3.31Å; E802-E806 PolarHBondContact O-N 2.84Å |
| 803 | D | 42.2 | Very low | 40.9 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81 | -26.1 | -170.5 | -67.6 | -34.9 | 0 | 0 | 0 | 114.3 | D801 | D801-D803 PolarHBondContact O-N 2.99Å |
| 804 | E | 43.3 | Very low | 40.6 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -89.6 | -30.1 | 177.2 | -73 | -169.2 | 168.2 | 0 | 0 | 112.8 | E808 | E804-E808 PolarHBondContact O-N 3.02Å |
| 805 | E | 45.3 | Very low | 40.6 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -33.4 | 177.1 | -71.3 | -167.2 | 156 | 0 | 0 | 112.5 | E808 E809 | E805-E808 PolarHBondContact O-N 3.29Å; E805-E809 WeakPolarHBondContact O-CB 3.23Å; E805-E809 PolarHBondContact O-N 2.73Å |
| 806 | E | 40.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 56% | 0.556 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -36 | 176.7 | -79.3 | -167.5 | 165.8 | 0 | 0 | 112.7 | E802 E809 M810 | E802-E806 WeakPolarHBondContact O-CG 3.31Å; E802-E806 PolarHBondContact O-N 2.84Å; E806-E809 PolarHBondContact O-N 3.44Å; E806-M810 VanDerWaalsContact O-CB 3.28Å; E806-M810 WeakPolarHBondContact O-CB 3.41Å; E806-M810 PolarHBondContact O-N 2.88Å |
| 807 | E | 41.3 | Very low | 40.1 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.8 | -36.8 | 174.8 | -79.8 | -163.4 | 157.5 | 0 | 0 | 112.3 | M810 R811 | E807-M810 PolarHBondContact O-N 2.96Å; E807-R811 PolarHBondContact O-N 3.11Å |
| 808 | E | 44.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.3 | -38.4 | 171.6 | -100.6 | -156 | 170.6 | 0 | 0 | 112.3 | E804 E805 R811 R812 | E804-E808 PolarHBondContact O-N 3.02Å; E805-E808 PolarHBondContact O-N 3.29Å; E808-R811 PolarHBondContact O-N 3.3Å; E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 VanDerWaalsContact O-CG 3.31Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 3.06Å; E808-R812 IonicContact OE2-NH2 3.73Å |
| 809 | E | 42.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.8 | -38.1 | 173.2 | -104.1 | -151.4 | 143.3 | 0 | 0 | 112.1 | E805 E806 R812 R813 | E805-E809 WeakPolarHBondContact O-CB 3.23Å; E805-E809 PolarHBondContact O-N 2.73Å; E806-E809 PolarHBondContact O-N 3.44Å; E809-R812 CarbonylContact O-C 3.41Å; E809-R812 PolarHBondContact O-N 3.37Å; E809-R813 WeakPolarHBondContact O-CB 3.39Å; E809-R813 PolarHBondContact O-N 3.06Å |
| 810 | M | 36.1 | Very low | 39.2 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 59% | 0.591 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | 177.1 | -161.1 | -178.4 | -57.4 | 0 | 0 | 111 | E806 E807 R813 E814 | E806-M810 VanDerWaalsContact O-CB 3.28Å; E806-M810 WeakPolarHBondContact O-CB 3.41Å; E806-M810 PolarHBondContact O-N 2.88Å; E807-M810 PolarHBondContact O-N 2.96Å; M810-R813 PolarHBondContact O-N 3.15Å; M810-E814 PolarHBondContact O-N 3.04Å |
| 811 | R | 43 | Very low | 38.8 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 169.8 | -84.4 | -176.4 | 170.7 | 174.9 | 2 | 112.8 | E807 E808 R813 E814 E815 | E807-R811 PolarHBondContact O-N 3.11Å; E808-R811 PolarHBondContact O-N 3.3Å; R811-R813 VanDerWaalsContact C-N 3.34Å; R811-R813 PolarHBondContact O-N 3.28Å; R811-E814 PolarHBondContact O-N 3.19Å; R811-E815 PolarHBondContact O-N 3.2Å |
| 812 | R | 42.8 | Very low | 38.4 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.2 | -33.9 | 172.4 | -77.9 | 176.4 | -176.6 | 169.2 | 9.2 | 112.3 | E808 E809 K816 | E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 VanDerWaalsContact O-CG 3.31Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 3.06Å; E808-R812 IonicContact OE2-NH2 3.73Å; E809-R812 CarbonylContact O-C 3.41Å; E809-R812 PolarHBondContact O-N 3.37Å; R812-K816 VanDerWaalsContact O-CB 3.26Å; R812-K816 WeakPolarHBondContact O-CB 3.26Å; R812-K816 VanDerWaalsContact O-CG 3.25Å; R812-K816 WeakPolarHBondContact O-CG 3.47Å; R812-K816 PolarHBondContact O-N 3.28Å |
| 813 | R | 39.7 | Very low | 38.2 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.3 | -37.8 | 172.6 | -90.2 | -179.6 | 170.6 | 158.9 | 2.4 | 112.1 | E809 M810 R811 S817 | E809-R813 WeakPolarHBondContact O-CB 3.39Å; E809-R813 PolarHBondContact O-N 3.06Å; M810-R813 PolarHBondContact O-N 3.15Å; R811-R813 VanDerWaalsContact C-N 3.34Å; R811-R813 PolarHBondContact O-N 3.28Å; R813-S817 WeakPolarHBondContact O-CB 3.37Å; R813-S817 PolarHBondContact O-N 2.99Å; R813-S817 PolarHBondContact O-OG 3.31Å |
| 814 | E | 31.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72.6 | -32.8 | 175 | -75.4 | -163.5 | 152.2 | 0 | 0 | 113.4 | M810 R811 S817 K818 | M810-E814 PolarHBondContact O-N 3.04Å; R811-E814 PolarHBondContact O-N 3.19Å; E814-S817 WeakPolarHBondContact CA-OG 3.2Å; E814-S817 PolarHBondContact O-OG 3.05Å; E814-K818 PolarHBondContact O-N 3Å |
| 815 | E | 34.7 | Very low | 38.8 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.6 | -40.8 | 170.5 | -76.8 | -166.5 | 173.3 | 0 | 0 | 111.7 | R528 R811 S817 K818 S819 | R528-E815 IonicContact CZ-OE2 3.18Å; R528-E815 IonicContact NH2-OE2 3.79Å; R528-E815 PolarHBondContact NH2-OE2 2.81Å; R811-E815 PolarHBondContact O-N 3.2Å; E815-S817 PolarHBondContact O-N 3.13Å; E815-K818 PolarHBondContact O-N 2.91Å; E815-K818 VanDerWaalsContact O-N 3.15Å; E815-S819 PolarHBondContact O-N 3.48Å; E815-S819 PolarHBondContact O-OG 2.76Å |
| 816 | K | 37.5 | Very low | 40.1 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 70% | 0.7 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.4 | -32.1 | 171.7 | -83.6 | 176 | 177.7 | 177 | 0 | 112.7 | R812 K818 | R812-K816 VanDerWaalsContact O-CB 3.26Å; R812-K816 WeakPolarHBondContact O-CB 3.26Å; R812-K816 VanDerWaalsContact O-CG 3.25Å; R812-K816 WeakPolarHBondContact O-CG 3.47Å; R812-K816 PolarHBondContact O-N 3.28Å; K816-K818 VanDerWaalsContact C-N 3.29Å; K816-K818 PolarHBondContact O-N 3Å |
| 817 | S | 32.1 | Very low | 42.2 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -10.3 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | R813 E814 E815 | R813-S817 WeakPolarHBondContact O-CB 3.37Å; R813-S817 PolarHBondContact O-N 2.99Å; R813-S817 PolarHBondContact O-OG 3.31Å; E814-S817 WeakPolarHBondContact CA-OG 3.2Å; E814-S817 PolarHBondContact O-OG 3.05Å; E815-S817 PolarHBondContact O-N 3.13Å |
| 818 | K | 34.5 | Very low | 44.4 | Very low | 177 Ų | 177 | 116 Ų | 116 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -11.3 | 177 | -68.5 | 176.3 | -176.8 | 165.9 | 0 | 114.3 | E814 E815 K816 L820 | E814-K818 PolarHBondContact O-N 3Å; E815-K818 PolarHBondContact O-N 2.91Å; E815-K818 VanDerWaalsContact O-N 3.15Å; K816-K818 VanDerWaalsContact C-N 3.29Å; K816-K818 PolarHBondContact O-N 3Å; K818-L820 PolarHBondContact O-N 3.12Å |
| 819 | S | 27.6 | Very low | 46.4 | Very low | 71 Ų | 71 | 111.4 Ų | 111.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -85.2 | 91.1 | 169.3 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | E815 | E815-S819 PolarHBondContact O-N 3.48Å; E815-S819 PolarHBondContact O-OG 2.76Å |
| 820 | L | 38 | Very low | 48.6 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | trans | 51.6 | 67.9 | 166.7 | -63 | 168.5 | 0 | 0 | 0 | 115.2 | K818 L822 | K818-L820 PolarHBondContact O-N 3.12Å; L820-L822 PolarHBondContact O-N 2.91Å | ||
| 821 | S | 32.3 | Very low | 51.2 | Low | 112 Ų | 112 | 102 Ų | 102 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | trans | -69.2 | 46.8 | 157.3 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | L823 | S821-L823 PolarHBondContact O-N 2.89Š| ||
| 822 | L | 34.8 | Very low | 53.6 | Low | 105 Ų | 105 | 93 Ų | 93 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -93.7 | 81.3 | -178.5 | -157.2 | 142.5 | 0 | 0 | 0 | 108.2 | P501 L820 | P501-L822 HydrophobicContact CB-CD2 4.43Å; P501-L822 HydrophobicContact CG-CD2 4.32Å; L820-L822 PolarHBondContact O-N 2.91Å |
| 823 | L | 37.3 | Very low | 56 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | trans | 52.4 | 112 | -175.9 | -85 | 84.9 | 0 | 0 | 0 | 114.1 | S821 Y825 | S821-L823 PolarHBondContact O-N 2.89Å; L823-Y825 HydrophobicContact CB-CD2 3.6Å; L823-Y825 HydrophobicContact CB-CE2 3.37Å; L823-Y825 HydrophobicContact CB-CG 4.49Å; L823-Y825 HydrophobicContact CD2-CE1 4.3Å; L823-Y825 HydrophobicContact CD2-CE2 3.83Å; L823-Y825 HydrophobicContact CG-CE2 4.17Å; L823-Y825 WeakPolarHBondContact O-CD2 3.33Å; L823-Y825 PolarHBondContact O-N 3.33Å | ||
| 824 | E | 42.7 | Very low | 58.5 | Low | 209 Ų | 209 | 78.5 Ų | 78.5 | 98% | 0.977 | 40% | 0.401 | S | S | * | . | trans | -60.4 | 86.1 | 158.7 | -76 | 177.2 | 149.1 | 0 | 0 | 108.8 | ||||
| 825 | Y | 56 | Low | 61.5 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | trans | -74.9 | 125.5 | 167.2 | -78.7 | -83.6 | 0 | 0 | 0 | 107.6 | Q482 R497 L823 L827 | Q482-Y825 VanDerWaalsContact NE2-CD1 3.31Å; Q482-Y825 VanDerWaalsContact NE2-CG 3.34Å; R497-Y825 PolarHBondContact NH1-OH 3.46Å; L823-Y825 HydrophobicContact CB-CD2 3.6Å; L823-Y825 HydrophobicContact CB-CE2 3.37Å; L823-Y825 HydrophobicContact CB-CG 4.49Å; L823-Y825 HydrophobicContact CD2-CE1 4.3Å; L823-Y825 HydrophobicContact CD2-CE2 3.83Å; L823-Y825 HydrophobicContact CG-CE2 4.17Å; L823-Y825 WeakPolarHBondContact O-CD2 3.33Å; L823-Y825 PolarHBondContact O-N 3.33Å; Y825-L827 VanDerWaalsContact C-N 3.34Å; Y825-L827 PolarHBondContact O-N 2.72Å | ||
| 826 | N | 73.8 | Confident | 64.3 | Low | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | trans | -72.7 | 92.9 | 171.5 | -175 | -39.4 | 0 | 0 | 0 | 108.4 | E750 T828 M829 D830 | E750-N826 VanDerWaalsContact OE2-CG 3.24Å; E750-N826 PolarHBondContact OE2-ND2 3.25Å; E750-N826 PolarHBondContact OE2-OD1 3.07Å; N826-T828 PolarHBondContact O-N 2.98Å; N826-T828 WeakPolarHBondContact OD1-CB 3.17Å; N826-T828 PolarHBondContact OD1-N 3.44Å; N826-M829 HydrophobicContact CB-CB 4.02Å; N826-M829 HydrophobicContact CB-CG 4.11Å; N826-M829 VanDerWaalsContact CG-CG 3.42Å; N826-M829 PolarHBondContact O-N 2.89Å; N826-M829 WeakPolarHBondContact OD1-CG 3.43Å; N826-M829 PolarHBondContact OD1-N 3.41Å; N826-D830 PolarHBondContact O-N 3.07Å | ||
| 827 | L | 83.4 | Confident | 66.9 | Low | 65 Ų | 65 | 60.1 Ų | 60.1 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.5 | -38.9 | -178.5 | 176.8 | 64.7 | 0 | 0 | 0 | 111.9 | T481 Y825 D830 T831 | T481-L827 WeakPolarHBondContact OG1-CD1 3.35Å; Y825-L827 VanDerWaalsContact C-N 3.34Å; Y825-L827 PolarHBondContact O-N 2.72Å; L827-D830 PolarHBondContact O-N 2.95Å; L827-T831 WeakPolarHBondContact O-CB 3.42Å; L827-T831 PolarHBondContact O-N 3.04Å; L827-T831 PolarHBondContact O-OG1 3.42Å |
| 828 | T | 87.6 | Confident | 69.7 | Low | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | L743 Q746 L747 E750 N826 T831 A832 | L743-T828 HydrophobicContact CD1-CG2 3.89Å; Q746-T828 HydrophobicContact CB-CG2 3.65Å; L747-T828 HydrophobicContact CD2-CG2 3.71Å; L747-T828 HydrophobicContact CG-CG2 3.83Å; E750-T828 WeakPolarHBondContact OE1-CB 3.48Å; E750-T828 PolarHBondContact OE1-OG1 3.3Å; N826-T828 PolarHBondContact O-N 2.98Å; N826-T828 WeakPolarHBondContact OD1-CB 3.17Å; N826-T828 PolarHBondContact OD1-N 3.44Å; T828-T831 WeakPolarHBondContact O-CB 3.39Å; T828-T831 PolarHBondContact O-N 3.01Å; T828-A832 PolarHBondContact O-N 2.85Å |
| 829 | M | 87.5 | Confident | 72.4 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.7 | -71.7 | -66.7 | -70.6 | 0 | 0 | 112.5 | L747 N826 T831 A832 K833 F939 | L747-M829 HydrophobicContact CD2-CG 4.47Å; L747-M829 HydrophobicContact CD2-SD 3.66Å; N826-M829 HydrophobicContact CB-CB 4.02Å; N826-M829 HydrophobicContact CB-CG 4.11Å; N826-M829 VanDerWaalsContact CG-CG 3.42Å; N826-M829 PolarHBondContact O-N 2.89Å; N826-M829 WeakPolarHBondContact OD1-CG 3.43Å; N826-M829 PolarHBondContact OD1-N 3.41Å; M829-T831 VanDerWaalsContact C-N 3.27Å; M829-T831 PolarHBondContact O-N 2.91Å; M829-A832 PolarHBondContact O-N 3.46Å; M829-K833 VanDerWaalsContact O-CB 3.27Å; M829-K833 WeakPolarHBondContact O-CB 3.32Å; M829-K833 PolarHBondContact O-N 3.42Å; M829-F939 HydrophobicContact CE-CD1 3.76Å; M829-F939 HydrophobicContact CE-CE1 3.8Å; M829-F939 WeakPolarHBondContact O-CE1 3.21Å; M829-F939 HydrophobicContact SD-CE1 4.42Å |
| 830 | D | 87.9 | Confident | 75.4 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 17% | 0.171 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | 174.2 | -81.9 | -12.8 | 0 | 0 | 0 | 111.2 | T481 Q482 N826 L827 K833 L834 | T481-D830 HydrophobicContact CG2-CB 3.89Å; T481-D830 WeakPolarHBondContact CG2-O 3.25Å; Q482-D830 PolarHBondContact NE2-OD2 3.41Å; N826-D830 PolarHBondContact O-N 3.07Å; L827-D830 PolarHBondContact O-N 2.95Å; D830-K833 PolarHBondContact O-N 2.9Å; D830-L834 WeakPolarHBondContact O-CB 3.47Å; D830-L834 PolarHBondContact O-N 2.98Å |
| 831 | T | 91.7 | Very high | 77.7 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -46.2 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | T481 L719 F738 L743 L827 T828 M829 K833 L834 F835 | T481-T831 PolarHBondContact OG1-OG1 3.39Å; L719-T831 HydrophobicContact CB-CG2 3.81Å; L719-T831 HydrophobicContact CD2-CG2 4.48Å; F738-T831 HydrophobicContact CD1-CG2 3.99Å; F738-T831 HydrophobicContact CE1-CG2 3.82Å; L743-T831 HydrophobicContact CD1-CG2 4.22Å; L827-T831 WeakPolarHBondContact O-CB 3.42Å; L827-T831 PolarHBondContact O-N 3.04Å; L827-T831 PolarHBondContact O-OG1 3.42Å; T828-T831 WeakPolarHBondContact O-CB 3.39Å; T828-T831 PolarHBondContact O-N 3.01Å; M829-T831 VanDerWaalsContact C-N 3.27Å; M829-T831 PolarHBondContact O-N 2.91Å; T831-K833 VanDerWaalsContact C-N 3.32Å; T831-K833 PolarHBondContact O-N 3.45Å; T831-L834 PolarHBondContact O-N 2.9Å; T831-F835 WeakPolarHBondContact O-CB 3.5Å; T831-F835 PolarHBondContact O-N 3.5Å |
| 832 | A | 93.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L743 L747 T828 M829 F835 M836 F939 | L743-A832 HydrophobicContact CD1-CB 4.34Å; L743-A832 HydrophobicContact CD2-CB 4.26Å; L747-A832 HydrophobicContact CD1-CB 4.2Å; L747-A832 HydrophobicContact CD2-CB 4.4Å; T828-A832 PolarHBondContact O-N 2.85Å; M829-A832 PolarHBondContact O-N 3.46Å; A832-F835 PolarHBondContact O-N 2.66Å; A832-M836 VanDerWaalsContact O-CB 3.27Å; A832-M836 WeakPolarHBondContact O-CB 3.49Å; A832-M836 VanDerWaalsContact O-CG 3.29Å; A832-M836 WeakPolarHBondContact O-CG 3.46Å; A832-M836 PolarHBondContact O-N 2.88Å; A832-F939 HydrophobicContact CB-CE1 4.03Å; A832-F939 HydrophobicContact CB-CZ 4Å |
| 833 | K | 91.8 | Very high | 82.5 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 14% | 0.135 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -51.2 | 176 | -176.8 | -176.8 | -174.5 | 146.3 | 0 | 111.6 | M829 D830 T831 F835 S837 G857 F939 | M829-K833 VanDerWaalsContact O-CB 3.27Å; M829-K833 WeakPolarHBondContact O-CB 3.32Å; M829-K833 PolarHBondContact O-N 3.42Å; D830-K833 PolarHBondContact O-N 2.9Å; T831-K833 VanDerWaalsContact C-N 3.32Å; T831-K833 PolarHBondContact O-N 3.45Å; K833-F835 VanDerWaalsContact C-N 3.34Å; K833-F835 PolarHBondContact O-N 3.34Å; K833-S837 WeakPolarHBondContact O-CB 3.24Å; K833-S837 PolarHBondContact O-N 2.86Å; K833-S837 PolarHBondContact O-OG 3.45Å; K833-G857 WeakPolarHBondContact CE-O 3.41Å; K833-G857 PolarHBondContact NZ-O 3.25Å; K833-F939 HydrophobicContact CB-CB 4.37Å; K833-F939 HydrophobicContact CB-CD1 3.71Å; K833-F939 HydrophobicContact CB-CD2 4.02Å; K833-F939 HydrophobicContact CB-CE1 3.89Å; K833-F939 HydrophobicContact CB-CE2 4.13Å; K833-F939 HydrophobicContact CB-CG 3.8Å; K833-F939 HydrophobicContact CB-CZ 4.1Å; K833-F939 HydrophobicContact CD-CB 3.88Å; K833-F939 HydrophobicContact CD-CG 4.23Å; K833-F939 HydrophobicContact CG-CB 3.98Å; K833-F939 HydrophobicContact CG-CD1 4.25Å; K833-F939 HydrophobicContact CG-CD2 3.93Å; K833-F939 HydrophobicContact CG-CE2 4.43Å; K833-F939 HydrophobicContact CG-CG 3.82Å; K833-F939 PolarHBondContact NZ-O 2.9Å; K833-F939 VanDerWaalsContact NZ-O 3.17Å |
| 834 | L | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.4 | -50.5 | 177.7 | 171.9 | 58.5 | 0 | 0 | 0 | 110.6 | T481 A484 I485 L488 L489 L736 F738 D830 T831 S837 C838 | T481-L834 HydrophobicContact CG2-CB 4.27Å; T481-L834 HydrophobicContact CG2-CD2 3.98Å; A484-L834 HydrophobicContact CB-CD1 4.42Å; A484-L834 HydrophobicContact CB-CD2 3.7Å; I485-L834 HydrophobicContact CD1-CB 4.26Å; I485-L834 HydrophobicContact CG1-CB 3.86Å; I485-L834 HydrophobicContact CG1-CD1 3.86Å; I485-L834 HydrophobicContact CG1-CD2 4.48Å; I485-L834 HydrophobicContact CG1-CG 4.27Å; L488-L834 HydrophobicContact CD1-CD1 4.33Å; L489-L834 HydrophobicContact CD1-CD1 3.88Å; L489-L834 HydrophobicContact CG-CD1 4.4Å; L736-L834 HydrophobicContact CD2-CD2 4.26Å; F738-L834 HydrophobicContact CE1-CD2 4.35Å; F738-L834 HydrophobicContact CZ-CD2 3.82Å; F738-L834 HydrophobicContact CZ-CG 4.04Å; D830-L834 WeakPolarHBondContact O-CB 3.47Å; D830-L834 PolarHBondContact O-N 2.98Å; T831-L834 PolarHBondContact O-N 2.9Å; L834-S837 PolarHBondContact O-N 3.45Å; L834-C838 PolarHBondContact O-N 2.97Å; L834-C838 VanDerWaalsContact O-N 3.15Å; L834-C838 PolarHBondContact O-SG 3.45Å |
| 835 | F | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -50.8 | -174.4 | -172 | -133.5 | 0 | 0 | 0 | 112.5 | L8 I10 F738 V740 L743 T831 A832 K833 S837 C838 L839 L927 | L8-F835 HydrophobicContact CB-CE2 4.09Å; L8-F835 HydrophobicContact CB-CZ 4.03Å; L8-F835 HydrophobicContact CD1-CE2 4Å; L8-F835 HydrophobicContact CD1-CZ 3.97Å; L8-F835 HydrophobicContact CD2-CE2 3.97Å; L8-F835 HydrophobicContact CG-CE2 4.25Å; L8-F835 HydrophobicContact CG-CZ 4.46Å; I10-F835 HydrophobicContact CD1-CD2 4.28Å; F738-F835 HydrophobicContact CB-CD1 4.38Å; F738-F835 HydrophobicContact CB-CD2 3.84Å; F738-F835 HydrophobicContact CB-CE1 4.26Å; F738-F835 HydrophobicContact CB-CE2 3.7Å; F738-F835 HydrophobicContact CB-CG 4.19Å; F738-F835 HydrophobicContact CB-CZ 3.91Å; F738-F835 HydrophobicContact CD1-CB 3.7Å; F738-F835 HydrophobicContact CD1-CD1 4.38Å; F738-F835 AromaticContact CD1-CD2 3.78Å; F738-F835 HydrophobicContact CD1-CD2 3.78Å; F738-F835 AromaticContact CD1-CG 3.71Å; F738-F835 HydrophobicContact CD1-CG 3.71Å; F738-F835 AromaticContact CD2-CD2 3.7Å; F738-F835 HydrophobicContact CD2-CD2 3.7Å; F738-F835 HydrophobicContact CD2-CE2 4.01Å; F738-F835 HydrophobicContact CD2-CG 4.47Å; F738-F835 HydrophobicContact CE1-CB 3.72Å; F738-F835 HydrophobicContact CE1-CD2 4.23Å; F738-F835 HydrophobicContact CE1-CG 4.17Å; F738-F835 HydrophobicContact CE2-CD2 4.18Å; F738-F835 HydrophobicContact CG-CB 4.32Å; F738-F835 HydrophobicContact CG-CD1 4.5Å; F738-F835 AromaticContact CG-CD2 3.48Å; F738-F835 HydrophobicContact CG-CD2 3.48Å; F738-F835 VanDerWaalsContact CG-CD2 3.48Å; F738-F835 AromaticContact CG-CE2 3.82Å; F738-F835 HydrophobicContact CG-CE2 3.82Å; F738-F835 AromaticContact CG-CG 3.87Å; F738-F835 HydrophobicContact CG-CG 3.87Å; F738-F835 HydrophobicContact CG-CZ 4.46Å; F738-F835 HydrophobicContact CZ-CB 4.37Å; F738-F835 HydrophobicContact CZ-CD2 4.42Å; V740-F835 HydrophobicContact CG2-CE1 3.77Å; V740-F835 HydrophobicContact CG2-CZ 3.99Å; L743-F835 HydrophobicContact CD2-CD1 4.23Å; T831-F835 WeakPolarHBondContact O-CB 3.5Å; T831-F835 PolarHBondContact O-N 3.5Å; A832-F835 PolarHBondContact O-N 2.66Å; K833-F835 VanDerWaalsContact C-N 3.34Å; K833-F835 PolarHBondContact O-N 3.34Å; F835-S837 VanDerWaalsContact C-N 3.27Å; F835-S837 PolarHBondContact O-N 2.97Å; F835-C838 PolarHBondContact O-N 3.41Å; F835-C838 VanDerWaalsContact O-N 3.1Å; F835-L839 HydrophobicContact CD1-CD1 4.21Å; F835-L839 HydrophobicContact CD2-CD1 4.22Å; F835-L839 HydrophobicContact CD2-CG 4.33Å; F835-L839 HydrophobicContact CE1-CD1 3.78Å; F835-L839 HydrophobicContact CE2-CD1 3.81Å; F835-L839 HydrophobicContact CE2-CD2 4.28Å; F835-L839 HydrophobicContact CE2-CG 4.1Å; F835-L839 HydrophobicContact CG-CD1 4.41Å; F835-L839 HydrophobicContact CZ-CD1 3.59Å; F835-L839 HydrophobicContact CZ-CG 4.38Å; F835-L839 WeakPolarHBondContact O-CG 3.39Å; F835-L839 PolarHBondContact O-N 3.05Å; F835-L839 VanDerWaalsContact O-N 3.11Å; F835-L927 HydrophobicContact CD1-CD1 3.37Å; F835-L927 HydrophobicContact CE1-CD1 3.55Å |
| 836 | M | 93.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 177.5 | -72.1 | -63.5 | -73.8 | 0 | 0 | 112.1 | A832 C838 L839 H840 M858 L927 A928 W984 L987 | A832-M836 VanDerWaalsContact O-CB 3.27Å; A832-M836 WeakPolarHBondContact O-CB 3.49Å; A832-M836 VanDerWaalsContact O-CG 3.29Å; A832-M836 WeakPolarHBondContact O-CG 3.46Å; A832-M836 PolarHBondContact O-N 2.88Å; M836-C838 VanDerWaalsContact C-N 3.29Å; M836-C838 PolarHBondContact O-N 3.37Å; M836-L839 PolarHBondContact O-N 3.12Å; M836-H840 PolarHBondContact O-N 3.19Å; M836-M858 VanDerWaalsContact C-CE 3.48Å; M836-M858 HydrophobicContact CB-CE 3.96Å; M836-M858 VanDerWaalsContact O-CE 3.23Å; M836-M858 WeakPolarHBondContact O-CE 3.28Å; M836-L927 HydrophobicContact CE-CB 4.44Å; M836-L927 HydrophobicContact CG-CB 4.39Å; M836-L927 HydrophobicContact CG-CD1 4.36Å; M836-L927 HydrophobicContact SD-CB 3.57Å; M836-L927 VanDerWaalsContact SD-CB 3.57Å; M836-L927 HydrophobicContact SD-CD1 3.87Å; M836-L927 HydrophobicContact SD-CG 4.39Å; M836-A928 HydrophobicContact CE-CB 4.16Å; M836-W984 HydrophobicContact CE-CZ3 3.92Å; M836-L987 HydrophobicContact CE-CD1 4.39Å; M836-L987 HydrophobicContact CE-CD2 3.8Å |
| 837 | S | 92 | Very high | 89 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -34.3 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | K833 L834 F835 W842 L859 | K833-S837 WeakPolarHBondContact O-CB 3.24Å; K833-S837 PolarHBondContact O-N 2.86Å; K833-S837 PolarHBondContact O-OG 3.45Å; L834-S837 PolarHBondContact O-N 3.45Å; F835-S837 VanDerWaalsContact C-N 3.27Å; F835-S837 PolarHBondContact O-N 2.97Å; S837-W842 PolarHBondContact O-NE1 3.41Å; S837-L859 WeakPolarHBondContact CB-O 3.34Å; S837-L859 PolarHBondContact OG-N 2.95Å; S837-L859 PolarHBondContact OG-O 3.39Å |
| 838 | C | 91.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -76 | -32.7 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | I10 L834 F835 M836 I865 | I10-C838 HydrophobicContact CD1-CB 3.74Å; L834-C838 PolarHBondContact O-N 2.97Å; L834-C838 VanDerWaalsContact O-N 3.15Å; L834-C838 PolarHBondContact O-SG 3.45Å; F835-C838 PolarHBondContact O-N 3.41Å; F835-C838 VanDerWaalsContact O-N 3.1Å; M836-C838 VanDerWaalsContact C-N 3.29Å; M836-C838 PolarHBondContact O-N 3.37Å; C838-I865 HydrophobicContact CB-CG1 4.33Å; C838-I865 HydrophobicContact CB-CG2 4.4Å |
| 839 | L | 90.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -83.2 | -31.8 | -176.8 | -66.9 | -179.9 | 0 | 0 | 0 | 114.1 | L8 F835 M836 A841 F867 Y910 H920 A924 | L8-L839 HydrophobicContact CD1-CD2 3.78Å; F835-L839 HydrophobicContact CD1-CD1 4.21Å; F835-L839 HydrophobicContact CD2-CD1 4.22Å; F835-L839 HydrophobicContact CD2-CG 4.33Å; F835-L839 HydrophobicContact CE1-CD1 3.78Å; F835-L839 HydrophobicContact CE2-CD1 3.81Å; F835-L839 HydrophobicContact CE2-CD2 4.28Å; F835-L839 HydrophobicContact CE2-CG 4.1Å; F835-L839 HydrophobicContact CG-CD1 4.41Å; F835-L839 HydrophobicContact CZ-CD1 3.59Å; F835-L839 HydrophobicContact CZ-CG 4.38Å; F835-L839 WeakPolarHBondContact O-CG 3.39Å; F835-L839 PolarHBondContact O-N 3.05Å; F835-L839 VanDerWaalsContact O-N 3.11Å; M836-L839 PolarHBondContact O-N 3.12Å; L839-A841 PolarHBondContact O-N 2.9Å; L839-F867 HydrophobicContact CD2-CE1 4.02Å; L839-F867 HydrophobicContact CD2-CZ 4.45Å; L839-Y910 PolarHBondContact O-OH 3.03Å; L839-H920 HydrophobicContact CD2-CB 4.2Å; L839-A924 HydrophobicContact CB-CB 4.49Å; L839-A924 HydrophobicContact CD1-CB 4.43Å |
| 840 | H | 90.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -61 | 137.2 | -174.5 | 178.9 | 71.9 | 0 | 0 | 0 | 112.5 | M836 W842 D849 M858 M990 H991 | M836-H840 PolarHBondContact O-N 3.19Å; H840-W842 VanDerWaalsContact C-N 3.27Å; H840-W842 AromaticContact CD2-CD2 3.51Å; H840-W842 AromaticContact CD2-CE2 3.61Å; H840-W842 AromaticContact CD2-CE3 3.83Å; H840-W842 AromaticContact CD2-CG 3.81Å; H840-W842 AromaticContact CD2-NE1 3.91Å; H840-W842 PolarHBondContact O-N 3.04Å; H840-D849 IonicContact CD2-OD1 3.92Å; H840-D849 IonicContact CE1-OD1 3.04Å; H840-D849 IonicContact NE2-OD1 3.98Å; H840-D849 PolarHBondContact NE2-OD1 3.17Å; H840-M858 HydrophobicContact CB-CE 3.65Å; H840-M990 WeakPolarHBondContact CE1-CE 3.45Å; H840-H991 AromaticContact ND1-CE1 3.34Å; H840-H991 PolarHBondContact ND1-CE1 3.38Å; H840-H991 VanDerWaalsContact ND1-CE1 3.34Å; H840-H991 AromaticContact ND1-NE2 3.94Å |
| 841 | A | 87.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | trans | -78.7 | 67.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L839 L844 Y910 M990 H991 L995 | L839-A841 PolarHBondContact O-N 2.9Å; A841-L844 HydrophobicContact CB-CD1 3.58Å; A841-L844 HydrophobicContact CB-CG 4.21Å; A841-L844 PolarHBondContact O-N 3.05Å; A841-Y910 HydrophobicContact CB-CD2 4.18Å; A841-Y910 HydrophobicContact CB-CE2 3.77Å; A841-M990 HydrophobicContact CB-CE 4.07Å; A841-H991 PolarHBondContact N-NE2 3.42Å; A841-L995 HydrophobicContact CB-CD1 3.92Å | ||
| 842 | W | 86.1 | Confident | 89.4 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 133.5 | -177.8 | -66.2 | 98.5 | 0 | 0 | 0 | 113.8 | S837 H840 D849 C852 L853 M858 L859 R860 P861 V905 G906 | S837-W842 PolarHBondContact O-NE1 3.41Å; H840-W842 VanDerWaalsContact C-N 3.27Å; H840-W842 AromaticContact CD2-CD2 3.51Å; H840-W842 AromaticContact CD2-CE2 3.61Å; H840-W842 AromaticContact CD2-CE3 3.83Å; H840-W842 AromaticContact CD2-CG 3.81Å; H840-W842 AromaticContact CD2-NE1 3.91Å; H840-W842 PolarHBondContact O-N 3.04Å; W842-D849 HydrophobicContact CE3-CB 3.97Å; W842-D849 HydrophobicContact CZ3-CB 3.97Å; W842-C852 HydrophobicContact CH2-CB 3.79Å; W842-C852 HydrophobicContact CZ3-CB 4.13Å; W842-L853 HydrophobicContact CH2-CD2 3.69Å; W842-L853 HydrophobicContact CH2-CG 3.88Å; W842-L853 HydrophobicContact CZ3-CD1 4.24Å; W842-L853 HydrophobicContact CZ3-CD2 3.94Å; W842-L853 HydrophobicContact CZ3-CG 3.77Å; W842-M858 HydrophobicContact CH2-CB 4.17Å; W842-M858 HydrophobicContact CZ2-CB 4.06Å; W842-M858 HydrophobicContact CZ2-CE 4.36Å; W842-L859 VanDerWaalsContact CZ2-O 3.31Å; W842-L859 WeakPolarHBondContact CZ2-O 3.48Å; W842-R860 HydrophobicContact CD2-CB 4.3Å; W842-R860 HydrophobicContact CD2-CG 3.96Å; W842-R860 HydrophobicContact CE3-CB 4.43Å; W842-R860 HydrophobicContact CE3-CG 4.22Å; W842-R860 HydrophobicContact CG-CG 4.12Å; W842-P861 VanDerWaalsContact NE1-CD 3.28Å; W842-V905 HydrophobicContact CB-CG1 4.11Å; W842-V905 HydrophobicContact CG-CG1 4.34Å; W842-G906 WeakPolarHBondContact O-CA 3.42Å; W842-G906 PolarHBondContact O-N 3.01Å; W842-G906 VanDerWaalsContact O-N 3.08Å |
| 843 | G | 81.2 | Confident | 89.2 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 26% | 0.258 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D849 | G843-D849 WeakPolarHBondContact CA-OD2 3.27Å; G843-D849 PolarHBondContact N-OD2 2.78Å |
| 844 | L | 83.3 | Confident | 88.9 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.9 | -28.7 | 170.7 | -62.3 | -175 | 0 | 0 | 0 | 112.8 | A841 K907 L995 L998 L999 | A841-L844 HydrophobicContact CB-CD1 3.58Å; A841-L844 HydrophobicContact CB-CG 4.21Å; A841-L844 PolarHBondContact O-N 3.05Å; L844-K907 HydrophobicContact CD2-CG 3.65Å; L844-L995 HydrophobicContact CD1-CD1 3.53Å; L844-L998 HydrophobicContact CB-CB 4.34Å; L844-L998 HydrophobicContact CB-CD1 4.37Å; L844-L998 HydrophobicContact CD1-CB 4.5Å; L844-L999 HydrophobicContact CD1-CD1 4.42Å; L844-L999 HydrophobicContact CD1-CD2 3.75Å; L844-L999 HydrophobicContact CD1-CG 3.81Å; L844-L999 HydrophobicContact CD2-CD2 3.78Å; L844-L999 HydrophobicContact CD2-CG 4.44Å; L844-L999 HydrophobicContact CG-CD2 4.41Å |
| 845 | N | 87.1 | Confident | 88.6 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | trans | -142.7 | 95.6 | 178.6 | -175.4 | -27.5 | 0 | 0 | 0 | 110.2 | Q847 L848 D849 L998 | N845-Q847 VanDerWaalsContact C-N 3.26Å; N845-Q847 PolarHBondContact O-N 3.31Å; N845-Q847 PolarHBondContact OD1-N 3.33Å; N845-L848 HydrophobicContact CB-CB 4.03Å; N845-L848 PolarHBondContact O-N 2.98Å; N845-L848 PolarHBondContact OD1-N 3.47Å; N845-D849 VanDerWaalsContact O-CG 3.24Å; N845-D849 PolarHBondContact O-N 2.96Å; N845-L998 HydrophobicContact CB-CD1 4.48Å | ||
| 846 | E | 86.3 | Confident | 88.4 | Confident | 169 Ų | 169 | 40.3 Ų | 40.3 | 79% | 0.79 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.5 | -32.9 | -175.8 | -62.9 | -173.6 | 162.6 | 0 | 0 | 113.5 | D849 G850 | E846-D849 PolarHBondContact O-N 3.05Å; E846-G850 PolarHBondContact O-N 2.9Å |
| 847 | Q | 89.3 | Confident | 88.1 | Confident | 165 Ų | 165 | 40.5 Ų | 40.5 | 77% | 0.771 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67.8 | -44.7 | 177.9 | -64.9 | -176.8 | -7.1 | 0 | 0 | 111.1 | N845 G850 I851 | N845-Q847 VanDerWaalsContact C-N 3.26Å; N845-Q847 PolarHBondContact O-N 3.31Å; N845-Q847 PolarHBondContact OD1-N 3.33Å; Q847-G850 PolarHBondContact O-N 2.97Å; Q847-I851 WeakPolarHBondContact O-CG1 3.3Å; Q847-I851 PolarHBondContact O-N 2.85Å |
| 848 | L | 89.6 | Confident | 88 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 176.3 | -177.6 | 61 | 0 | 0 | 0 | 111.3 | N845 G850 I851 C852 Q986 M990 | N845-L848 HydrophobicContact CB-CB 4.03Å; N845-L848 PolarHBondContact O-N 2.98Å; N845-L848 PolarHBondContact OD1-N 3.47Å; L848-G850 VanDerWaalsContact C-N 3.29Å; L848-G850 PolarHBondContact O-N 3.34Å; L848-I851 WeakPolarHBondContact O-CB 2.99Å; L848-I851 PolarHBondContact O-N 3.26Å; L848-I851 VanDerWaalsContact O-N 3.11Å; L848-C852 PolarHBondContact O-N 3.39Å; L848-C852 PolarHBondContact O-SG 3.02Å; L848-Q986 HydrophobicContact CD1-CB 3.87Å; L848-M990 HydrophobicContact CD2-CB 3.61Å; L848-M990 HydrophobicContact CD2-CE 3.89Å; L848-M990 HydrophobicContact CD2-CG 3.79Å |
| 849 | D | 89.5 | Confident | 87.9 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 175.3 | -70.1 | -13.5 | 0 | 0 | 0 | 111.5 | H840 W842 G843 N845 E846 I851 C852 L853 | H840-D849 IonicContact CD2-OD1 3.92Å; H840-D849 IonicContact CE1-OD1 3.04Å; H840-D849 IonicContact NE2-OD1 3.98Å; H840-D849 PolarHBondContact NE2-OD1 3.17Å; W842-D849 HydrophobicContact CE3-CB 3.97Å; W842-D849 HydrophobicContact CZ3-CB 3.97Å; G843-D849 WeakPolarHBondContact CA-OD2 3.27Å; G843-D849 PolarHBondContact N-OD2 2.78Å; N845-D849 VanDerWaalsContact O-CG 3.24Å; N845-D849 PolarHBondContact O-N 2.96Å; E846-D849 PolarHBondContact O-N 3.05Å; D849-I851 VanDerWaalsContact C-N 3.34Å; D849-I851 PolarHBondContact O-N 3.06Å; D849-C852 PolarHBondContact O-N 3.35Å; D849-L853 WeakPolarHBondContact O-CG 3.33Å; D849-L853 PolarHBondContact O-N 3.1Å |
| 850 | G | 87.8 | Confident | 87.7 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E846 Q847 L848 L853 E854 | E846-G850 PolarHBondContact O-N 2.9Å; Q847-G850 PolarHBondContact O-N 2.97Å; L848-G850 VanDerWaalsContact C-N 3.29Å; L848-G850 PolarHBondContact O-N 3.34Å; G850-L853 PolarHBondContact O-N 2.96Å; G850-E854 WeakPolarHBondContact O-CB 3.48Å; G850-E854 WeakPolarHBondContact O-CG 3.17Å; G850-E854 PolarHBondContact O-N 2.78Å |
| 851 | I | 90.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.1 | -66 | 170.9 | 0 | 0 | 0 | 111.1 | Q847 L848 D849 L853 R855 L856 | Q847-I851 WeakPolarHBondContact O-CG1 3.3Å; Q847-I851 PolarHBondContact O-N 2.85Å; L848-I851 WeakPolarHBondContact O-CB 2.99Å; L848-I851 PolarHBondContact O-N 3.26Å; L848-I851 VanDerWaalsContact O-N 3.11Å; D849-I851 VanDerWaalsContact C-N 3.34Å; D849-I851 PolarHBondContact O-N 3.06Å; I851-L853 PolarHBondContact O-N 3.43Å; I851-R855 HydrophobicContact CG2-CB 4.41Å; I851-R855 WeakPolarHBondContact O-CA 3.44Å; I851-R855 WeakPolarHBondContact O-CB 3.49Å; I851-R855 PolarHBondContact O-N 2.97Å; I851-L856 HydrophobicContact CG2-CG 4.44Å; I851-L856 PolarHBondContact O-N 3.42Å; I851-L856 VanDerWaalsContact O-N 3.09Å |
| 852 | C | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -62.7 | -42.4 | 179.8 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | W842 L848 D849 L856 G857 M858 | W842-C852 HydrophobicContact CH2-CB 3.79Å; W842-C852 HydrophobicContact CZ3-CB 4.13Å; L848-C852 PolarHBondContact O-N 3.39Å; L848-C852 PolarHBondContact O-SG 3.02Å; D849-C852 PolarHBondContact O-N 3.35Å; C852-L856 CarbonylContact O-C 3.27Å; C852-G857 PolarHBondContact O-N 3.09Å; C852-M858 HydrophobicContact CB-CB 4.32Å; C852-M858 HydrophobicContact CB-SD 3.98Å; C852-M858 PolarHBondContact O-N 3.06Å |
| 853 | L | 88.1 | Confident | 86.5 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -72.3 | -52.3 | 178.8 | -67.9 | 169.8 | 0 | 0 | 0 | 112.3 | W842 D849 G850 I851 R860 | W842-L853 HydrophobicContact CH2-CD2 3.69Å; W842-L853 HydrophobicContact CH2-CG 3.88Å; W842-L853 HydrophobicContact CZ3-CD1 4.24Å; W842-L853 HydrophobicContact CZ3-CD2 3.94Å; W842-L853 HydrophobicContact CZ3-CG 3.77Å; D849-L853 WeakPolarHBondContact O-CG 3.33Å; D849-L853 PolarHBondContact O-N 3.1Å; G850-L853 PolarHBondContact O-N 2.96Å; I851-L853 PolarHBondContact O-N 3.43Å; L853-R860 HydrophobicContact CD2-CB 4.47Å |
| 854 | E | 85.6 | Confident | 86.3 | Confident | 157 Ų | 157 | 47.6 Ų | 47.6 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | I | π-helix | trans | -81.9 | -38 | -169.5 | -65.2 | -176.8 | 173 | 0 | 0 | 113.4 | G850 | G850-E854 WeakPolarHBondContact O-CB 3.48Å; G850-E854 WeakPolarHBondContact O-CG 3.17Å; G850-E854 PolarHBondContact O-N 2.78Å |
| 855 | R | 85.9 | Confident | 86.4 | Confident | 97 Ų | 97 | 46.6 Ų | 46.6 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -104.9 | -46.6 | -171.1 | -57.4 | -174.2 | -178.2 | -167.1 | -1.1 | 112.8 | I851 T938 | I851-R855 HydrophobicContact CG2-CB 4.41Å; I851-R855 WeakPolarHBondContact O-CA 3.44Å; I851-R855 WeakPolarHBondContact O-CB 3.49Å; I851-R855 PolarHBondContact O-N 2.97Å; R855-T938 PolarHBondContact O-OG1 3.18Å |
| 856 | L | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -80.3 | -23 | 179.3 | -52.1 | -176 | 0 | 0 | 0 | 111.6 | I851 C852 M858 F939 I980 W984 L987 | I851-L856 HydrophobicContact CG2-CG 4.44Å; I851-L856 PolarHBondContact O-N 3.42Å; I851-L856 VanDerWaalsContact O-N 3.09Å; C852-L856 CarbonylContact O-C 3.27Å; L856-M858 VanDerWaalsContact C-N 3.34Å; L856-M858 HydrophobicContact CB-CG 4.22Å; L856-M858 HydrophobicContact CB-SD 4.47Å; L856-M858 HydrophobicContact CD1-SD 4.32Å; L856-F939 WeakPolarHBondContact O-CA 3.3Å; L856-F939 WeakPolarHBondContact O-CB 3.17Å; L856-F939 WeakPolarHBondContact O-CD2 3.43Å; L856-F939 PolarHBondContact O-N 3.37Å; L856-I980 HydrophobicContact CD2-CG2 4.21Å; L856-W984 HydrophobicContact CB-CH2 4.09Å; L856-W984 HydrophobicContact CB-CZ2 4Å; L856-W984 HydrophobicContact CD1-CD2 4.05Å; L856-W984 HydrophobicContact CD1-CE3 3.88Å; L856-W984 HydrophobicContact CD1-CH2 4.1Å; L856-W984 HydrophobicContact CD1-CZ2 4.31Å; L856-W984 HydrophobicContact CD1-CZ3 3.9Å; L856-W984 HydrophobicContact CD2-CD2 4.03Å; L856-W984 HydrophobicContact CD2-CG 4.21Å; L856-W984 HydrophobicContact CD2-CZ2 4.08Å; L856-W984 HydrophobicContact CG-CZ2 4.35Å; L856-L987 HydrophobicContact CD1-CD1 4.28Å |
| 857 | G | 87.3 | Confident | 86.6 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | trans | 74.7 | 21.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K833 C852 F939 | K833-G857 WeakPolarHBondContact CE-O 3.41Å; K833-G857 PolarHBondContact NZ-O 3.25Å; C852-G857 PolarHBondContact O-N 3.09Å; G857-F939 WeakPolarHBondContact O-CB 3.46Å | ||
| 858 | M | 90.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -67.8 | 162.2 | 172.8 | -64 | 176.1 | 61.7 | 0 | 0 | 110.5 | M836 H840 W842 C852 L856 F939 W984 L987 | M836-M858 VanDerWaalsContact C-CE 3.48Å; M836-M858 HydrophobicContact CB-CE 3.96Å; M836-M858 VanDerWaalsContact O-CE 3.23Å; M836-M858 WeakPolarHBondContact O-CE 3.28Å; H840-M858 HydrophobicContact CB-CE 3.65Å; W842-M858 HydrophobicContact CH2-CB 4.17Å; W842-M858 HydrophobicContact CZ2-CB 4.06Å; W842-M858 HydrophobicContact CZ2-CE 4.36Å; C852-M858 HydrophobicContact CB-CB 4.32Å; C852-M858 HydrophobicContact CB-SD 3.98Å; C852-M858 PolarHBondContact O-N 3.06Å; L856-M858 VanDerWaalsContact C-N 3.34Å; L856-M858 HydrophobicContact CB-CG 4.22Å; L856-M858 HydrophobicContact CB-SD 4.47Å; L856-M858 HydrophobicContact CD1-SD 4.32Å; M858-F939 HydrophobicContact CG-CD2 3.91Å; M858-F939 HydrophobicContact CG-CE2 4.08Å; M858-W984 HydrophobicContact CG-CH2 4.46Å; M858-W984 HydrophobicContact SD-CH2 4.24Å; M858-W984 HydrophobicContact SD-CZ3 4.18Å; M858-L987 HydrophobicContact CE-CD1 4.2Å; M858-L987 HydrophobicContact SD-CD1 3.72Å | ||
| 859 | L | 88.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | trans | -119.6 | 142.9 | -179.1 | -58.6 | 175 | 0 | 0 | 0 | 110.3 | I485 L489 S837 W842 | I485-L859 HydrophobicContact CG2-CD1 3.61Å; L489-L859 HydrophobicContact CB-CB 3.77Å; L489-L859 HydrophobicContact CB-CD1 4.21Å; L489-L859 HydrophobicContact CD1-CB 3.96Å; L489-L859 HydrophobicContact CD1-CD1 4.25Å; L489-L859 HydrophobicContact CG-CB 4.39Å; S837-L859 WeakPolarHBondContact CB-O 3.34Å; S837-L859 PolarHBondContact OG-N 2.95Å; S837-L859 PolarHBondContact OG-O 3.39Å; W842-L859 VanDerWaalsContact CZ2-O 3.31Å; W842-L859 WeakPolarHBondContact CZ2-O 3.48Å | ||
| 860 | R | 86.6 | Confident | 86.6 | Confident | 67 Ų | 67 | 31.1 Ų | 31.1 | 25% | 0.253 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.7 | 179.5 | -170.7 | 179 | -172 | 163.4 | 9 | 110.4 | L489 Q490 W842 L853 S902 | L489-R860 CarbonylContact C-O 3.56Å; Q490-R860 WeakPolarHBondContact CB-O 3.47Å; Q490-R860 PolarHBondContact N-O 3.37Å; W842-R860 HydrophobicContact CD2-CB 4.3Å; W842-R860 HydrophobicContact CD2-CG 3.96Å; W842-R860 HydrophobicContact CE3-CB 4.43Å; W842-R860 HydrophobicContact CE3-CG 4.22Å; W842-R860 HydrophobicContact CG-CG 4.12Å; L853-R860 HydrophobicContact CD2-CB 4.47Å; R860-S902 VanDerWaalsContact NH2-CB 3.25Å; R860-S902 PolarHBondContact NH2-O 3.47Å |
| 861 | P | 85.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 137.5 | 170.6 | -25.3 | 33.8 | 0 | 0 | 0 | 112.8 | L488 L489 W842 I865 V905 | L488-P861 VanDerWaalsContact O-CA 3.28Å; L488-P861 WeakPolarHBondContact O-CA 3.44Å; L489-P861 HydrophobicContact CD2-CB 4.19Å; L489-P861 HydrophobicContact CD2-CG 3.82Å; W842-P861 VanDerWaalsContact NE1-CD 3.28Å; P861-I865 HydrophobicContact CB-CD1 4.07Å; P861-I865 HydrophobicContact CB-CG1 4.25Å; P861-I865 HydrophobicContact CG-CD1 4.39Å; P861-I865 HydrophobicContact CG-CG1 4.27Å; P861-V905 HydrophobicContact CB-CG1 3.76Å; P861-V905 HydrophobicContact CB-CG2 4.36Å; P861-V905 HydrophobicContact CG-CG1 3.6Å |
| 862 | H | 79.3 | Confident | 85.4 | Confident | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -93.6 | -20.5 | 170.4 | 65 | -80.3 | 0 | 0 | 0 | 113.7 | Q487 L488 Q490 | Q487-H862 PolarHBondContact O-CE1 3.11Å; L488-H862 PolarHBondContact O-N 3.26Å; L488-H862 PolarHBondContact O-ND1 3.43Å; Q490-H862 HydrophobicContact CG-CB 3.39Å; Q490-H862 VanDerWaalsContact NE2-CB 3.3Å |
| 863 | C | 74.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -122.3 | 156.6 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 110 | P433 I865 | P433-C863 HydrophobicContact CG-CB 3.93Å; C863-I865 PolarHBondContact O-N 3.19Å |
| 864 | P | 75.7 | Confident | 84.1 | Confident | 32 Ų | 32 | 36 Ų | 36 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 127.9 | 163.4 | -32.9 | 40.9 | 0 | 0 | 0 | 112.9 | K884 | P864-K884 HydrophobicContact CB-CD 3.76Å; P864-K884 HydrophobicContact CB-CG 4.28Å |
| 865 | I | 85.5 | Confident | 84.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 126.2 | 171.6 | -51.1 | -56.2 | 0 | 0 | 0 | 110.7 | I10 L488 C838 P861 C863 F867 K884 | I10-I865 HydrophobicContact CD1-CG2 4.38Å; I10-I865 HydrophobicContact CG1-CG2 4.47Å; I10-I865 HydrophobicContact CG2-CG2 3.7Å; L488-I865 HydrophobicContact CB-CD1 3.95Å; L488-I865 HydrophobicContact CD1-CD1 4.25Å; L488-I865 HydrophobicContact CD2-CD1 3.73Å; L488-I865 HydrophobicContact CG-CD1 4.18Å; C838-I865 HydrophobicContact CB-CG1 4.33Å; C838-I865 HydrophobicContact CB-CG2 4.4Å; P861-I865 HydrophobicContact CB-CD1 4.07Å; P861-I865 HydrophobicContact CB-CG1 4.25Å; P861-I865 HydrophobicContact CG-CD1 4.39Å; P861-I865 HydrophobicContact CG-CG1 4.27Å; C863-I865 PolarHBondContact O-N 3.19Å; I865-F867 HydrophobicContact CB-CD2 4.49Å; I865-F867 HydrophobicContact CB-CE2 3.79Å; I865-F867 HydrophobicContact CB-CZ 3.87Å; I865-F867 HydrophobicContact CG2-CD1 4.27Å; I865-F867 HydrophobicContact CG2-CD2 4.26Å; I865-F867 HydrophobicContact CG2-CE1 3.79Å; I865-F867 HydrophobicContact CG2-CE2 3.77Å; I865-F867 HydrophobicContact CG2-CZ 3.52Å; I865-K884 WeakPolarHBondContact O-CE 3.45Å; I865-K884 PolarHBondContact O-NZ 3.45Å |
| 866 | S | 88.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.1 | 170.9 | -79 | 0 | 0 | 0 | 0 | 110.2 | V11 W13 M879 | V11-S866 PolarHBondContact N-O 3.04Å; W13-S866 PolarHBondContact NE1-OG 3.42Å; S866-M879 VanDerWaalsContact CB-O 3.23Å; S866-M879 WeakPolarHBondContact CB-O 3.02Å; S866-M879 PolarHBondContact OG-O 3.48Å |
| 867 | F | 90.1 | Very high | 84.7 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 162.2 | 176.7 | -64.1 | -78.9 | 0 | 0 | 0 | 110.4 | L8 I10 L839 I865 M879 T909 H920 | L8-F867 HydrophobicContact CD2-CD1 3.73Å; L8-F867 HydrophobicContact CD2-CE1 4.19Å; I10-F867 HydrophobicContact CD1-CD1 4.49Å; I10-F867 HydrophobicContact CD1-CE1 4.01Å; I10-F867 HydrophobicContact CG1-CD1 3.9Å; I10-F867 HydrophobicContact CG1-CE1 3.92Å; L839-F867 HydrophobicContact CD2-CE1 4.02Å; L839-F867 HydrophobicContact CD2-CZ 4.45Å; I865-F867 HydrophobicContact CB-CD2 4.49Å; I865-F867 HydrophobicContact CB-CE2 3.79Å; I865-F867 HydrophobicContact CB-CZ 3.87Å; I865-F867 HydrophobicContact CG2-CD1 4.27Å; I865-F867 HydrophobicContact CG2-CD2 4.26Å; I865-F867 HydrophobicContact CG2-CE1 3.79Å; I865-F867 HydrophobicContact CG2-CE2 3.77Å; I865-F867 HydrophobicContact CG2-CZ 3.52Å; F867-M879 HydrophobicContact CB-SD 4.3Å; F867-M879 WeakPolarHBondContact O-CB 3.29Å; F867-M879 VanDerWaalsContact O-CG 3.23Å; F867-M879 WeakPolarHBondContact O-CG 3.38Å; F867-M879 PolarHBondContact O-N 3.31Å; F867-T909 HydrophobicContact CD2-CG2 4.08Å; F867-T909 HydrophobicContact CE2-CG2 3.55Å; F867-T909 HydrophobicContact CZ-CG2 4.19Å; F867-H920 AromaticContact CD1-CE1 3.6Å; F867-H920 AromaticContact CD1-NE2 3.51Å; F867-H920 AromaticContact CD2-CE1 3.65Å; F867-H920 AromaticContact CE1-CE1 3.66Å; F867-H920 AromaticContact CE1-NE2 3.87Å; F867-H920 AromaticContact CE2-CE1 3.71Å; F867-H920 AromaticContact CG-CE1 3.58Å; F867-H920 AromaticContact CG-NE2 3.69Å; F867-H920 AromaticContact CZ-CE1 3.71Å |
| 868 | G | 89.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 176.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P9 S877 | P9-G868 WeakPolarHBondContact CD-O 3.41Å; P9-G868 VanDerWaalsContact CG-O 3.32Å; P9-G868 WeakPolarHBondContact CG-O 3.48Å; P9-G868 PolarHBondContact O-N 3.11Å; G868-S877 CarbonylContact C-O 3.55Å; G868-S877 WeakPolarHBondContact CA-O 3.14Å |
| 869 | L | 89.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138 | 172.6 | -69.3 | 176.2 | 0 | 0 | 0 | 109.2 | D98 M876 S877 A915 V916 | D98-L869 HydrophobicContact CB-CD1 3.93Å; L869-M876 CarbonylContact O-C 3.59Å; L869-M876 VanDerWaalsContact O-CA 3.29Å; L869-M876 WeakPolarHBondContact O-CA 3.3Å; L869-S877 PolarHBondContact N-O 3.24Å; L869-S877 PolarHBondContact O-N 3.11Å; L869-A915 HydrophobicContact CD1-CB 4.11Å; L869-A915 HydrophobicContact CD2-CB 4.5Å; L869-V916 HydrophobicContact CD1-CG2 3.79Å; L869-V916 HydrophobicContact CD2-CG2 3.77Å; L869-V916 HydrophobicContact CG-CG2 3.8Å |
| 870 | I | 87.7 | Confident | 85 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 24% | 0.241 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | 170.9 | -50.7 | 173 | 0 | 0 | 0 | 107.6 | V7 P9 F737 M876 | V7-I870 HydrophobicContact CB-CD1 4.26Å; V7-I870 HydrophobicContact CG1-CD1 3.81Å; P9-I870 HydrophobicContact CG-CD1 4.49Å; P9-I870 HydrophobicContact CG-CG1 4.05Å; F737-I870 HydrophobicContact CD1-CD1 3.58Å; F737-I870 HydrophobicContact CE1-CD1 3.44Å; F737-I870 VanDerWaalsContact CE1-CD1 3.44Å; F737-I870 HydrophobicContact CE1-CG1 4.07Å; I870-M876 HydrophobicContact CG1-CG 4.43Å |
| 871 | S | 84.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | trans | -102.5 | -179.9 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | R100 C101 G874 H875 | R100-S871 WeakPolarHBondContact CG-OG 3.34Å; C101-S871 PolarHBondContact N-OG 2.96Å; C101-S871 WeakPolarHBondContact O-CB 3.42Å; S871-G874 PolarHBondContact O-N 2.93Å; S871-H875 WeakPolarHBondContact CB-O 3.29Å; S871-H875 PolarHBondContact N-O 3.09Å | ||
| 872 | R | 70 | Confident | 84.5 | Confident | 129 Ų | 129 | 22.8 Ų | 22.8 | 49% | 0.487 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -59.2 | 152.5 | 172.7 | -166.8 | 179 | -178.8 | 176.4 | -0.8 | 109.7 | G874 H875 | R872-G874 PolarHBondContact O-N 3.49Å; R872-H875 PolarHBondContact O-CD2 2.87Å; R872-H875 PolarHBondContact O-N 3.44Å |
| 873 | G | 70.8 | Confident | 84.1 | Confident | 57 Ų | 57 | 22 Ų | 22 | 59% | 0.588 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | 73.8 | 1.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H875 | G873-H875 VanDerWaalsContact C-N 3.29Š|
| 874 | G | 80.5 | Confident | 83.5 | Confident | 42 Ų | 42 | 21.5 Ų | 21.5 | 43% | 0.433 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | 80.7 | 8.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S871 R872 | S871-G874 PolarHBondContact O-N 2.93Å; R872-G874 PolarHBondContact O-N 3.49Å |
| 875 | H | 88.4 | Confident | 82.8 | Confident | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | trans | -64.9 | 143 | 173 | -54.4 | -55 | 0 | 0 | 0 | 110.8 | F61 G62 W94 C101 F104 S871 R872 G873 | F61-H875 CarbonylContact O-C 3.55Å; F61-H875 VanDerWaalsContact O-CA 3.28Å; F61-H875 WeakPolarHBondContact O-CA 3.46Å; G62-H875 WeakPolarHBondContact CA-ND1 3.38Å; G62-H875 PolarHBondContact O-CE1 3.2Å; G62-H875 VanDerWaalsContact O-CE1 3.25Å; G62-H875 PolarHBondContact O-ND1 2.95Å; W94-H875 HydrophobicContact CH2-CB 4.09Å; W94-H875 HydrophobicContact CZ3-CB 4.26Å; C101-H875 HydrophobicContact CB-CB 3.68Å; C101-H875 PolarHBondContact SG-CD2 3.15Å; F104-H875 WeakPolarHBondContact CB-NE2 3.27Å; F104-H875 AromaticContact CD2-CE1 3.53Å; F104-H875 AromaticContact CD2-NE2 3.28Å; F104-H875 VanDerWaalsContact CD2-NE2 3.28Å; F104-H875 WeakPolarHBondContact CD2-NE2 3.34Å; F104-H875 AromaticContact CE2-CE1 3.88Å; F104-H875 AromaticContact CG-NE2 3.37Å; F104-H875 WeakPolarHBondContact CG-NE2 3.3Å; S871-H875 WeakPolarHBondContact CB-O 3.29Å; S871-H875 PolarHBondContact N-O 3.09Å; R872-H875 PolarHBondContact O-CD2 2.87Å; R872-H875 PolarHBondContact O-N 3.44Å; G873-H875 VanDerWaalsContact C-N 3.29Å | ||
| 876 | M | 91.4 | Very high | 81.5 | Confident | 24 Ų | 24 | 23.8 Ų | 23.8 | 12% | 0.118 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146 | -173.9 | -64.2 | 177.7 | -69.7 | 0 | 0 | 111.8 | L60 F61 M724 F737 L869 I870 L878 | L60-M876 CarbonylContact C-O 3.57Å; L60-M876 WeakPolarHBondContact CA-O 3.44Å; F61-M876 HydrophobicContact CB-CB 4.36Å; F61-M876 HydrophobicContact CB-CE 4.4Å; F61-M876 PolarHBondContact N-O 2.56Å; F61-M876 PolarHBondContact O-N 2.85Å; M724-M876 HydrophobicContact CE-CE 4.11Å; M724-M876 HydrophobicContact SD-CE 3.56Å; M724-M876 VanDerWaalsContact SD-CE 3.56Å; M724-M876 HydrophobicContact SD-SD 4.4Å; F737-M876 HydrophobicContact CE1-SD 4.24Å; F737-M876 HydrophobicContact CZ-SD 3.88Å; L869-M876 CarbonylContact O-C 3.59Å; L869-M876 VanDerWaalsContact O-CA 3.29Å; L869-M876 WeakPolarHBondContact O-CA 3.3Å; I870-M876 HydrophobicContact CG1-CG 4.43Å; M876-L878 HydrophobicContact CB-CD2 4.31Å |
| 877 | S | 93.1 | Very high | 80.1 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.6 | 166.7 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | L60 D98 G99 G868 L869 | L60-S877 WeakPolarHBondContact CD2-OG 3.46Å; D98-S877 PolarHBondContact O-OG 2.87Å; G99-S877 WeakPolarHBondContact O-CB 3.23Å; G868-S877 CarbonylContact C-O 3.55Å; G868-S877 WeakPolarHBondContact CA-O 3.14Å; L869-S877 PolarHBondContact N-O 3.24Å; L869-S877 PolarHBondContact O-N 3.11Å |
| 878 | L | 92.9 | Very high | 78.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.8 | -178.7 | -54.3 | -175.6 | 0 | 0 | 0 | 109.7 | V11 W13 A58 M59 F61 M724 V735 M876 L880 | V11-L878 HydrophobicContact CG2-CB 4.15Å; V11-L878 HydrophobicContact CG2-CD1 4.17Å; V11-L878 HydrophobicContact CG2-CD2 3.78Å; V11-L878 HydrophobicContact CG2-CG 4.23Å; W13-L878 HydrophobicContact CH2-CB 4.35Å; W13-L878 HydrophobicContact CH2-CD1 4.45Å; W13-L878 HydrophobicContact CZ2-CB 3.85Å; W13-L878 HydrophobicContact CZ2-CD1 4.49Å; A58-L878 CarbonylContact C-O 3.53Å; A58-L878 VanDerWaalsContact CA-O 3.29Å; A58-L878 WeakPolarHBondContact CA-O 3.18Å; A58-L878 WeakPolarHBondContact CB-O 3.5Å; M59-L878 PolarHBondContact N-O 3.26Å; M59-L878 PolarHBondContact O-N 3.11Å; F61-L878 HydrophobicContact CD2-CD1 3.94Å; F61-L878 HydrophobicContact CD2-CG 4.02Å; F61-L878 HydrophobicContact CE2-CB 4.3Å; F61-L878 HydrophobicContact CE2-CD1 3.39Å; F61-L878 HydrophobicContact CE2-CG 3.8Å; F61-L878 HydrophobicContact CZ-CD1 4.14Å; M724-L878 HydrophobicContact CE-CD1 3.46Å; M724-L878 VanDerWaalsContact CE-CD1 3.46Å; V735-L878 HydrophobicContact CG2-CD1 4.27Å; M876-L878 HydrophobicContact CB-CD2 4.31Å; L878-L880 PolarHBondContact O-N 3.03Å |
| 879 | M | 90.6 | Very high | 77.1 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.1 | 178.8 | -63.2 | -178.4 | 70.5 | 0 | 0 | 111.1 | W13 S866 F867 F883 V912 | W13-M879 PolarHBondContact NE1-O 3.06Å; S866-M879 VanDerWaalsContact CB-O 3.23Å; S866-M879 WeakPolarHBondContact CB-O 3.02Å; S866-M879 PolarHBondContact OG-O 3.48Å; F867-M879 HydrophobicContact CB-SD 4.3Å; F867-M879 WeakPolarHBondContact O-CB 3.29Å; F867-M879 VanDerWaalsContact O-CG 3.23Å; F867-M879 WeakPolarHBondContact O-CG 3.38Å; F867-M879 PolarHBondContact O-N 3.31Å; M879-F883 HydrophobicContact CE-CB 4.45Å; M879-F883 HydrophobicContact CE-CD1 3.16Å; M879-F883 HydrophobicContact CE-CE1 3.48Å; M879-F883 VanDerWaalsContact CE-CE1 3.48Å; M879-F883 HydrophobicContact CE-CG 3.9Å; M879-F883 HydrophobicContact CE-CZ 4.4Å; M879-V912 HydrophobicContact CE-CB 4.28Å; M879-V912 HydrophobicContact CE-CG1 3.43Å; M879-V912 VanDerWaalsContact CE-CG1 3.43Å; M879-V912 HydrophobicContact CE-CG2 3.87Å; M879-V912 HydrophobicContact SD-CG1 3.88Å; M879-V912 HydrophobicContact SD-CG2 4.48Å |
| 880 | L | 90.2 | Very high | 75.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | trans | -76 | 147.3 | 174.6 | -67.4 | 168.4 | 0 | 0 | 0 | 109.7 | W13 P56 R57 L424 F428 L878 T882 F883 | W13-L880 HydrophobicContact CD2-CD2 4.37Å; W13-L880 HydrophobicContact CE3-CD2 4.35Å; W13-L880 HydrophobicContact CH2-CD2 3.61Å; W13-L880 HydrophobicContact CZ2-CD2 3.6Å; W13-L880 HydrophobicContact CZ2-CG 4.45Å; W13-L880 HydrophobicContact CZ3-CD2 4.01Å; P56-L880 HydrophobicContact CB-CD1 3.56Å; R57-L880 PolarHBondContact O-N 3.45Å; L424-L880 HydrophobicContact CD2-CD1 4.09Å; F428-L880 HydrophobicContact CE2-CD2 4.18Å; F428-L880 HydrophobicContact CZ-CD2 4.18Å; L878-L880 PolarHBondContact O-N 3.03Å; L880-T882 PolarHBondContact O-N 3.25Å; L880-T882 VanDerWaalsContact O-N 3.15Å; L880-F883 WeakPolarHBondContact O-CB 3.46Å; L880-F883 PolarHBondContact O-N 2.89Å | ||
| 881 | P | 83.7 | Confident | 74.1 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.5 | -177.5 | 24.5 | -33 | 0 | 0 | 0 | 112.5 | W13 F428 L431 F883 | W13-P881 HydrophobicContact CB-CG 4.38Å; W13-P881 HydrophobicContact CG-CG 4.29Å; F428-P881 HydrophobicContact CD2-CG 4.49Å; F428-P881 HydrophobicContact CE1-CG 4.23Å; F428-P881 HydrophobicContact CE2-CG 3.95Å; F428-P881 HydrophobicContact CZ-CG 3.8Å; L431-P881 HydrophobicContact CD1-CB 3.82Å; L431-P881 HydrophobicContact CD1-CG 3.6Å; L431-P881 HydrophobicContact CD2-CB 4.47Å; P881-F883 VanDerWaalsContact C-N 3.35Å; P881-F883 PolarHBondContact O-N 3.34Å |
| 882 | T | 78.2 | Confident | 72.8 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.8 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | P56 A427 F428 L431 L880 K884 E885 S886 | P56-T882 HydrophobicContact CG-CG2 4.11Å; P56-T882 WeakPolarHBondContact CG-OG1 3.12Å; P56-T882 WeakPolarHBondContact O-CB 3.21Å; P56-T882 PolarHBondContact O-OG1 3.17Å; A427-T882 HydrophobicContact CB-CG2 3.77Å; F428-T882 HydrophobicContact CD2-CG2 4.34Å; L431-T882 HydrophobicContact CD1-CG2 4.38Å; L431-T882 HydrophobicContact CD2-CG2 3.87Å; L431-T882 HydrophobicContact CG-CG2 4.26Å; L880-T882 PolarHBondContact O-N 3.25Å; L880-T882 VanDerWaalsContact O-N 3.15Å; T882-K884 PolarHBondContact O-N 3.18Å; T882-K884 VanDerWaalsContact O-N 3.13Å; T882-E885 WeakPolarHBondContact O-CB 3.37Å; T882-E885 PolarHBondContact O-N 2.83Å; T882-S886 PolarHBondContact O-N 3.41Å |
| 883 | F | 69.3 | Low | 72.1 | Confident | 21 Ų | 21 | 37 Ų | 37 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.7 | -35.2 | 179.5 | 171.4 | -104 | 0 | 0 | 0 | 112.5 | P56 R57 M879 L880 P881 E885 S886 L887 V912 | P56-F883 PolarHBondContact O-N 3.36Å; R57-F883 HydrophobicContact CB-CD2 3.98Å; R57-F883 HydrophobicContact CG-CD2 3.41Å; R57-F883 VanDerWaalsContact CG-CD2 3.41Å; R57-F883 HydrophobicContact CG-CE2 3.9Å; R57-F883 HydrophobicContact CG-CG 4.19Å; M879-F883 HydrophobicContact CE-CB 4.45Å; M879-F883 HydrophobicContact CE-CD1 3.16Å; M879-F883 HydrophobicContact CE-CE1 3.48Å; M879-F883 VanDerWaalsContact CE-CE1 3.48Å; M879-F883 HydrophobicContact CE-CG 3.9Å; M879-F883 HydrophobicContact CE-CZ 4.4Å; L880-F883 WeakPolarHBondContact O-CB 3.46Å; L880-F883 PolarHBondContact O-N 2.89Å; P881-F883 VanDerWaalsContact C-N 3.35Å; P881-F883 PolarHBondContact O-N 3.34Å; F883-E885 VanDerWaalsContact C-N 3.28Å; F883-E885 PolarHBondContact O-N 3.39Å; F883-S886 WeakPolarHBondContact O-CB 3.27Å; F883-S886 PolarHBondContact O-N 2.65Å; F883-L887 HydrophobicContact CZ-CD1 4.45Å; F883-L887 PolarHBondContact O-N 2.87Å; F883-L887 VanDerWaalsContact O-N 3.16Å; F883-V912 HydrophobicContact CE1-CB 4.41Å; F883-V912 HydrophobicContact CE1-CG1 3.96Å; F883-V912 HydrophobicContact CE1-CG2 3.86Å; F883-V912 HydrophobicContact CZ-CG1 4.07Å; F883-V912 HydrophobicContact CZ-CG2 4.5Å |
| 884 | K | 63.7 | Low | 71.3 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.9 | -21.7 | -178.7 | -51.9 | -149 | -155.8 | -178.9 | 0 | 112.7 | P864 I865 T882 L888 I904 | P864-K884 HydrophobicContact CB-CD 3.76Å; P864-K884 HydrophobicContact CB-CG 4.28Å; I865-K884 WeakPolarHBondContact O-CE 3.45Å; I865-K884 PolarHBondContact O-NZ 3.45Å; T882-K884 PolarHBondContact O-N 3.18Å; T882-K884 VanDerWaalsContact O-N 3.13Å; K884-L888 VanDerWaalsContact O-CB 3.25Å; K884-L888 WeakPolarHBondContact O-CB 3.25Å; K884-L888 VanDerWaalsContact O-CG 3.31Å; K884-L888 WeakPolarHBondContact O-CG 3.34Å; K884-L888 PolarHBondContact O-N 3.35Å; K884-I904 HydrophobicContact CB-CG2 4.18Å; K884-I904 HydrophobicContact CD-CG2 4.16Å |
| 885 | E | 60 | Low | 70 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.7 | -38.6 | 172.5 | -162.8 | 177.9 | 177.3 | 0 | 0 | 111.3 | T882 F883 L888 R889 | T882-E885 WeakPolarHBondContact O-CB 3.37Å; T882-E885 PolarHBondContact O-N 2.83Å; F883-E885 VanDerWaalsContact C-N 3.28Å; F883-E885 PolarHBondContact O-N 3.39Å; E885-L888 WeakPolarHBondContact O-CB 3.29Å; E885-L888 PolarHBondContact O-N 3.48Å; E885-R889 WeakPolarHBondContact O-CB 3.33Å; E885-R889 PolarHBondContact O-N 3.34Å |
| 886 | S | 57.6 | Low | 68 | Low | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -50.5 | 170 | -178.3 | 0 | 0 | 0 | 0 | 111 | T882 F883 L888 R889 Q890 | T882-S886 PolarHBondContact O-N 3.41Å; F883-S886 WeakPolarHBondContact O-CB 3.27Å; F883-S886 PolarHBondContact O-N 2.65Å; S886-L888 PolarHBondContact O-N 2.91Å; S886-R889 PolarHBondContact O-N 2.89Å; S886-Q890 WeakPolarHBondContact O-CG 3.2Å; S886-Q890 PolarHBondContact O-N 3.4Å |
| 887 | L | 59.5 | Low | 66 | Low | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 177.4 | -163.4 | 97.1 | 0 | 0 | 0 | 112.4 | F883 R889 Q890 L891 | F883-L887 HydrophobicContact CZ-CD1 4.45Å; F883-L887 PolarHBondContact O-N 2.87Å; F883-L887 VanDerWaalsContact O-N 3.16Å; L887-R889 VanDerWaalsContact C-N 3.32Å; L887-R889 PolarHBondContact O-N 3.29Å; L887-Q890 PolarHBondContact O-N 3.02Å; L887-L891 HydrophobicContact CD2-CD1 3.88Å; L887-L891 HydrophobicContact CG-CD1 4.05Å; L887-L891 WeakPolarHBondContact O-CB 2.95Å; L887-L891 VanDerWaalsContact O-CG 3.25Å; L887-L891 WeakPolarHBondContact O-CG 3.36Å; L887-L891 PolarHBondContact O-N 2.94Å |
| 888 | L | 59 | Low | 63.9 | Low | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 174.6 | -96.4 | 174.4 | 0 | 0 | 0 | 112 | K884 E885 S886 L891 S892 L899 I904 | K884-L888 VanDerWaalsContact O-CB 3.25Å; K884-L888 WeakPolarHBondContact O-CB 3.25Å; K884-L888 VanDerWaalsContact O-CG 3.31Å; K884-L888 WeakPolarHBondContact O-CG 3.34Å; K884-L888 PolarHBondContact O-N 3.35Å; E885-L888 WeakPolarHBondContact O-CB 3.29Å; E885-L888 PolarHBondContact O-N 3.48Å; S886-L888 PolarHBondContact O-N 2.91Å; L888-L891 PolarHBondContact O-N 2.98Å; L888-S892 VanDerWaalsContact O-CB 3.23Å; L888-S892 WeakPolarHBondContact O-CB 3.41Å; L888-S892 PolarHBondContact O-N 2.91Å; L888-L899 HydrophobicContact CD2-CB 4.13Å; L888-I904 HydrophobicContact CD1-CD1 3.33Å; L888-I904 HydrophobicContact CD1-CG1 4.19Å; L888-I904 HydrophobicContact CD2-CD1 3.57Å; L888-I904 HydrophobicContact CD2-CG1 3.53Å; L888-I904 HydrophobicContact CG-CD1 3.63Å; L888-I904 HydrophobicContact CG-CG1 3.91Å |
| 889 | R | 59.4 | Low | 62.1 | Low | 112 Ų | 112 | 59 Ų | 59 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | -176.5 | -160 | 172.7 | -169.3 | 157.5 | 0.5 | 110.6 | E885 S886 L887 L891 S892 L893 | E885-R889 WeakPolarHBondContact O-CB 3.33Å; E885-R889 PolarHBondContact O-N 3.34Å; S886-R889 PolarHBondContact O-N 2.89Å; L887-R889 VanDerWaalsContact C-N 3.32Å; L887-R889 PolarHBondContact O-N 3.29Å; R889-L891 PolarHBondContact O-N 3.15Å; R889-S892 PolarHBondContact O-N 3.34Å; R889-L893 HydrophobicContact CG-CD1 4.26Å; R889-L893 VanDerWaalsContact O-CB 3.32Å; R889-L893 WeakPolarHBondContact O-CB 3.31Å; R889-L893 WeakPolarHBondContact O-CD1 3.49Å; R889-L893 WeakPolarHBondContact O-CG 3.49Å; R889-L893 PolarHBondContact O-N 3.32Å |
| 890 | Q | 57.6 | Low | 60.3 | Low | 106 Ų | 106 | 60.6 Ų | 60.6 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 172.4 | -70.9 | 179.2 | -16.4 | 0 | 0 | 111.9 | S886 L887 L893 A894 | S886-Q890 WeakPolarHBondContact O-CG 3.2Å; S886-Q890 PolarHBondContact O-N 3.4Å; L887-Q890 PolarHBondContact O-N 3.02Å; Q890-L893 PolarHBondContact O-N 3.06Å; Q890-A894 WeakPolarHBondContact O-CB 3.48Å; Q890-A894 PolarHBondContact O-N 2.93Å |
| 891 | L | 55.9 | Low | 58.6 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68 | -39 | 179.3 | -74.2 | 168.3 | 0 | 0 | 0 | 112.8 | L887 L888 R889 A894 T895 L899 K1003 | L887-L891 HydrophobicContact CD2-CD1 3.88Å; L887-L891 HydrophobicContact CG-CD1 4.05Å; L887-L891 WeakPolarHBondContact O-CB 2.95Å; L887-L891 VanDerWaalsContact O-CG 3.25Å; L887-L891 WeakPolarHBondContact O-CG 3.36Å; L887-L891 PolarHBondContact O-N 2.94Å; L888-L891 PolarHBondContact O-N 2.98Å; R889-L891 PolarHBondContact O-N 3.15Å; L891-A894 PolarHBondContact O-N 3.25Å; L891-T895 WeakPolarHBondContact O-CB 3.35Å; L891-T895 WeakPolarHBondContact O-CG2 3.37Å; L891-T895 PolarHBondContact O-N 2.93Å; L891-T895 PolarHBondContact O-OG1 3.2Å; L891-L899 HydrophobicContact CB-CD1 3.76Å; L891-K1003 HydrophobicContact CD2-CD 4.11Å |
| 892 | S | 57.6 | Low | 57 | Low | 41 Ų | 41 | 65.9 Ų | 65.9 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | L888 R889 A894 T895 G896 L897 | L888-S892 VanDerWaalsContact O-CB 3.23Å; L888-S892 WeakPolarHBondContact O-CB 3.41Å; L888-S892 PolarHBondContact O-N 2.91Å; R889-S892 PolarHBondContact O-N 3.34Å; S892-A894 VanDerWaalsContact C-N 3.34Å; S892-A894 PolarHBondContact O-N 3.45Å; S892-T895 PolarHBondContact O-N 2.82Å; S892-G896 WeakPolarHBondContact O-CA 3.44Å; S892-G896 PolarHBondContact O-N 3.27Å; S892-L897 PolarHBondContact OG-O 2.82Å |
| 893 | L | 55.7 | Low | 55.7 | Low | 113 Ų | 113 | 68 Ų | 68 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 173 | -74 | 165.6 | 0 | 0 | 0 | 111.9 | R889 Q890 | R889-L893 HydrophobicContact CG-CD1 4.26Å; R889-L893 VanDerWaalsContact O-CB 3.32Å; R889-L893 WeakPolarHBondContact O-CB 3.31Å; R889-L893 WeakPolarHBondContact O-CD1 3.49Å; R889-L893 WeakPolarHBondContact O-CG 3.49Å; R889-L893 PolarHBondContact O-N 3.32Å; Q890-L893 PolarHBondContact O-N 3.06Å |
| 894 | A | 53.2 | Low | 55.1 | Low | 84 Ų | 84 | 67.7 Ų | 67.7 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -71.2 | -29.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q890 L891 S892 | Q890-A894 WeakPolarHBondContact O-CB 3.48Å; Q890-A894 PolarHBondContact O-N 2.93Å; L891-A894 PolarHBondContact O-N 3.25Å; S892-A894 VanDerWaalsContact C-N 3.34Å; S892-A894 PolarHBondContact O-N 3.45Å |
| 895 | T | 53.4 | Low | 54.7 | Low | 67 Ų | 67 | 67.7 Ų | 67.7 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -107 | -12.5 | -174.2 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | L891 S892 L897 | L891-T895 WeakPolarHBondContact O-CB 3.35Å; L891-T895 WeakPolarHBondContact O-CG2 3.37Å; L891-T895 PolarHBondContact O-N 2.93Å; L891-T895 PolarHBondContact O-OG1 3.2Å; S892-T895 PolarHBondContact O-N 2.82Å; T895-L897 PolarHBondContact O-N 2.85Å |
| 896 | G | 46.6 | Very low | 54.4 | Low | 73 Ų | 73 | 63.8 Ų | 63.8 | 75% | 0.753 | 36% | 0.362 | S | S | * | . | trans | 66.7 | 7.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S892 | S892-G896 WeakPolarHBondContact O-CA 3.44Å; S892-G896 PolarHBondContact O-N 3.27Å | ||
| 897 | L | 49.8 | Very low | 54.4 | Low | 118 Ų | 118 | 67.6 Ų | 67.6 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -109.9 | 143.4 | -175.4 | -76.4 | 159 | 0 | 0 | 0 | 111.2 | S892 T895 L899 | S892-L897 PolarHBondContact OG-O 2.82Å; T895-L897 PolarHBondContact O-N 2.85Å; L897-L899 PolarHBondContact O-N 2.68Å |
| 898 | K | 49 | Very low | 54.3 | Low | 212 Ų | 212 | 66.1 Ų | 66.1 | 92% | 0.922 | 37% | 0.372 | S | S | * | . | trans | -80 | 101.6 | 171.5 | -161.6 | 175.8 | -174.8 | 178.6 | 0 | 108.2 | ||||
| 899 | L | 53.8 | Low | 54.8 | Low | 51 Ų | 51 | 64.4 Ų | 64.4 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | trans | -76 | 142.6 | -177.5 | -69.1 | 162.7 | 0 | 0 | 0 | 111.3 | L888 L891 L897 D903 | L888-L899 HydrophobicContact CD2-CB 4.13Å; L891-L899 HydrophobicContact CB-CD1 3.76Å; L897-L899 PolarHBondContact O-N 2.68Å; L899-D903 HydrophobicContact CB-CB 4.48Å; L899-D903 HydrophobicContact CD2-CB 4.2Å | ||
| 900 | A | 53.6 | Low | 55.7 | Low | 48 Ų | 48 | 59.1 Ų | 59.1 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | trans | -89 | 158.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S902 D903 | A900-S902 WeakPolarHBondContact CB-OG 3.33Å; A900-S902 PolarHBondContact O-N 3.48Å; A900-S902 VanDerWaalsContact O-N 3.08Å; A900-D903 PolarHBondContact N-OD2 2.97Å; A900-D903 WeakPolarHBondContact O-CB 3.46Å; A900-D903 PolarHBondContact O-N 3.13Å | ||
| 901 | L | 53.3 | Low | 56.3 | Low | 76 Ų | 76 | 54.9 Ų | 54.9 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52 | -32.7 | 175.3 | -85.6 | 154.8 | 0 | 0 | 0 | 113.2 | D903 I904 | L901-D903 VanDerWaalsContact C-N 3.27Å; L901-D903 PolarHBondContact O-N 3.13Å; L901-I904 HydrophobicContact CD2-CD1 3.97Å; L901-I904 HydrophobicContact CG-CD1 4.34Å; L901-I904 WeakPolarHBondContact O-CB 3.46Å; L901-I904 PolarHBondContact O-N 2.6Å; L901-I904 VanDerWaalsContact O-N 3.16Å |
| 902 | S | 50.3 | Low | 57 | Low | 53 Ų | 53 | 54.7 Ų | 54.7 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -28.8 | 175.5 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | R860 A900 | R860-S902 VanDerWaalsContact NH2-CB 3.25Å; R860-S902 PolarHBondContact NH2-O 3.47Å; A900-S902 WeakPolarHBondContact CB-OG 3.33Å; A900-S902 PolarHBondContact O-N 3.48Å; A900-S902 VanDerWaalsContact O-N 3.08Å |
| 903 | D | 52.3 | Low | 58.1 | Low | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77 | -22.5 | 176 | -74.8 | -63.4 | 0 | 0 | 0 | 112.7 | L899 A900 L901 K907 | L899-D903 HydrophobicContact CB-CB 4.48Å; L899-D903 HydrophobicContact CD2-CB 4.2Å; A900-D903 PolarHBondContact N-OD2 2.97Å; A900-D903 WeakPolarHBondContact O-CB 3.46Å; A900-D903 PolarHBondContact O-N 3.13Å; L901-D903 VanDerWaalsContact C-N 3.27Å; L901-D903 PolarHBondContact O-N 3.13Å; D903-K907 VanDerWaalsContact O-CB 3.32Å; D903-K907 WeakPolarHBondContact O-CB 3.38Å; D903-K907 WeakPolarHBondContact O-CD 3.48Å; D903-K907 WeakPolarHBondContact O-CG 3.37Å; D903-K907 IonicContact OD1-NZ 2.62Å; D903-K907 PolarHBondContact OD1-NZ 2.74Å |
| 904 | I | 55.4 | Low | 59.5 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.1 | -39.1 | -171.9 | -54.9 | 174.6 | 0 | 0 | 0 | 111.8 | K884 L888 L901 G906 G908 | K884-I904 HydrophobicContact CB-CG2 4.18Å; K884-I904 HydrophobicContact CD-CG2 4.16Å; L888-I904 HydrophobicContact CD1-CD1 3.33Å; L888-I904 HydrophobicContact CD1-CG1 4.19Å; L888-I904 HydrophobicContact CD2-CD1 3.57Å; L888-I904 HydrophobicContact CD2-CG1 3.53Å; L888-I904 HydrophobicContact CG-CD1 3.63Å; L888-I904 HydrophobicContact CG-CG1 3.91Å; L901-I904 HydrophobicContact CD2-CD1 3.97Å; L901-I904 HydrophobicContact CG-CD1 4.34Å; L901-I904 WeakPolarHBondContact O-CB 3.46Å; L901-I904 PolarHBondContact O-N 2.6Å; L901-I904 VanDerWaalsContact O-N 3.16Å; I904-G906 PolarHBondContact O-N 2.69Å; I904-G908 PolarHBondContact O-N 2.81Å |
| 905 | V | 56 | Low | 61.1 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | -167.2 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | W842 P861 T909 | W842-V905 HydrophobicContact CB-CG1 4.11Å; W842-V905 HydrophobicContact CG-CG1 4.34Å; P861-V905 HydrophobicContact CB-CG1 3.76Å; P861-V905 HydrophobicContact CB-CG2 4.36Å; P861-V905 HydrophobicContact CG-CG1 3.6Å; V905-T909 PolarHBondContact O-OG1 3.32Å |
| 906 | G | 54.1 | Low | 62.6 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -97.1 | -28.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | W842 I904 | W842-G906 WeakPolarHBondContact O-CA 3.42Å; W842-G906 PolarHBondContact O-N 3.01Å; W842-G906 VanDerWaalsContact O-N 3.08Å; I904-G906 PolarHBondContact O-N 2.69Å |
| 907 | K | 56.5 | Low | 64.7 | Low | 82 Ų | 82 | 42.3 Ų | 42.3 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -80.5 | -26.6 | -175.4 | -67.9 | 173.2 | -177 | 161.5 | 0 | 113.5 | L844 D903 L999 | L844-K907 HydrophobicContact CD2-CG 3.65Å; D903-K907 VanDerWaalsContact O-CB 3.32Å; D903-K907 WeakPolarHBondContact O-CB 3.38Å; D903-K907 WeakPolarHBondContact O-CD 3.48Å; D903-K907 WeakPolarHBondContact O-CG 3.37Å; D903-K907 IonicContact OD1-NZ 2.62Å; D903-K907 PolarHBondContact OD1-NZ 2.74Å; K907-L999 HydrophobicContact CB-CD2 4.47Å |
| 908 | G | 58 | Low | 66.6 | Low | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -86.8 | -27.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I904 V912 | I904-G908 PolarHBondContact O-N 2.81Å; G908-V912 WeakPolarHBondContact O-CG2 3.32Å |
| 909 | T | 69.4 | Low | 68.6 | Low | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -75.3 | -38.3 | -165.7 | -53.5 | 0 | 0 | 0 | 0 | 113.8 | F867 V905 G911 V912 H920 | F867-T909 HydrophobicContact CD2-CG2 4.08Å; F867-T909 HydrophobicContact CE2-CG2 3.55Å; F867-T909 HydrophobicContact CZ-CG2 4.19Å; V905-T909 PolarHBondContact O-OG1 3.32Å; T909-G911 VanDerWaalsContact C-N 3.33Å; T909-V912 WeakPolarHBondContact O-CG2 3.11Å; T909-H920 WeakPolarHBondContact CG2-CE1 3.33Å; T909-H920 VanDerWaalsContact CG2-ND1 3.26Å; T909-H920 WeakPolarHBondContact CG2-ND1 3.48Å |
| 910 | Y | 78.4 | Confident | 70.5 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -92.3 | 4.5 | -176.7 | -64.3 | -82.8 | 0 | 0 | 0 | 113.5 | L839 A841 T917 H920 L921 H991 L995 R1005 | L839-Y910 PolarHBondContact O-OH 3.03Å; A841-Y910 HydrophobicContact CB-CD2 4.18Å; A841-Y910 HydrophobicContact CB-CE2 3.77Å; Y910-T917 HydrophobicContact CD1-CG2 4.05Å; Y910-T917 PolarHBondContact O-OG1 3.35Å; Y910-H920 HydrophobicContact CE1-CB 3.69Å; Y910-L921 HydrophobicContact CD1-CD2 4.3Å; Y910-L921 HydrophobicContact CD1-CG 4.41Å; Y910-L921 HydrophobicContact CE1-CD2 3.76Å; Y910-L921 HydrophobicContact CE1-CG 4.05Å; Y910-H991 AromaticContact CZ-CD2 3.92Å; Y910-H991 PolarHBondContact OH-CD2 2.87Å; Y910-L995 HydrophobicContact CD1-CD2 3.68Å; Y910-L995 HydrophobicContact CD2-CD1 4.32Å; Y910-L995 HydrophobicContact CD2-CD2 4.13Å; Y910-L995 HydrophobicContact CE1-CD2 4Å; Y910-L995 HydrophobicContact CE2-CD2 4.45Å; Y910-L995 HydrophobicContact CG-CD2 3.74Å; Y910-R1005 PolarHBondContact O-N 3.41Å |
| 911 | G | 70.8 | Confident | 72.4 | Confident | 16 Ų | 16 | 23 Ų | 23 | 17% | 0.165 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -105.7 | -1.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T909 K1003 R1005 | T909-G911 VanDerWaalsContact C-N 3.33Å; G911-K1003 WeakPolarHBondContact CA-O 3.39Å; G911-R1005 WeakPolarHBondContact O-CG 3.49Å |
| 912 | V | 70.6 | Confident | 74.3 | Confident | 28 Ų | 28 | 19.5 Ų | 19.5 | 17% | 0.17 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -74.2 | -63.4 | -174.8 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | M879 F883 G908 T909 | M879-V912 HydrophobicContact CE-CB 4.28Å; M879-V912 HydrophobicContact CE-CG1 3.43Å; M879-V912 VanDerWaalsContact CE-CG1 3.43Å; M879-V912 HydrophobicContact CE-CG2 3.87Å; M879-V912 HydrophobicContact SD-CG1 3.88Å; M879-V912 HydrophobicContact SD-CG2 4.48Å; F883-V912 HydrophobicContact CE1-CB 4.41Å; F883-V912 HydrophobicContact CE1-CG1 3.96Å; F883-V912 HydrophobicContact CE1-CG2 3.86Å; F883-V912 HydrophobicContact CZ-CG1 4.07Å; F883-V912 HydrophobicContact CZ-CG2 4.5Å; G908-V912 WeakPolarHBondContact O-CG2 3.32Å; T909-V912 WeakPolarHBondContact O-CG2 3.11Å |
| 913 | S | 79.3 | Confident | 76.5 | Confident | 7 Ų | 7 | 17 Ų | 17 | 5% | 0.049 | 9% | 0.085 | C | C | . | . | trans | -150.6 | 149.5 | -175.8 | 161.2 | 0 | 0 | 0 | 0 | 110.3 | D98 A915 V916 T917 | D98-S913 WeakPolarHBondContact CB-OG 3.49Å; D98-S913 PolarHBondContact OD2-OG 2.95Å; S913-A915 VanDerWaalsContact C-N 3.29Å; S913-A915 PolarHBondContact O-N 3.05Å; S913-A915 PolarHBondContact OG-N 2.75Å; S913-V916 PolarHBondContact O-N 3.15Å; S913-T917 WeakPolarHBondContact O-CB 3.3Å; S913-T917 PolarHBondContact O-N 3.14Å; S913-T917 PolarHBondContact O-OG1 3.3Å | ||
| 914 | R | 85.8 | Confident | 78.5 | Confident | 105 Ų | 105 | 14.7 Ų | 14.7 | 40% | 0.396 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -59.6 | -37.9 | 172.3 | -55.6 | -175.7 | 65.4 | -176.7 | -2.2 | 112.1 | T918 R1005 P1006 P1007 L1008 | R914-T918 WeakPolarHBondContact O-CB 3.32Å; R914-T918 PolarHBondContact O-N 3.21Å; R914-T918 PolarHBondContact O-OG1 2.95Å; R914-R1005 HydrophobicContact CG-CB 4.24Å; R914-P1006 WeakPolarHBondContact CB-O 3.23Å; R914-P1006 WeakPolarHBondContact CG-O 3.45Å; R914-P1006 PolarHBondContact NE-O 2.56Å; R914-P1007 PolarHBondContact NH2-O 3.24Å; R914-L1008 HydrophobicContact CB-CD1 4.35Å; R914-L1008 HydrophobicContact CB-CD2 3.82Å; R914-L1008 HydrophobicContact CB-CG 3.7Å |
| 915 | A | 86.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.9 | -48.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | D98 L869 S913 T917 T918 Q919 L1008 M1011 | D98-A915 VanDerWaalsContact OD2-CB 3.24Å; D98-A915 WeakPolarHBondContact OD2-CB 3.43Å; L869-A915 HydrophobicContact CD1-CB 4.11Å; L869-A915 HydrophobicContact CD2-CB 4.5Å; S913-A915 VanDerWaalsContact C-N 3.29Å; S913-A915 PolarHBondContact O-N 3.05Å; S913-A915 PolarHBondContact OG-N 2.75Å; A915-T917 PolarHBondContact O-N 3.35Å; A915-T918 WeakPolarHBondContact O-CB 3.08Å; A915-T918 PolarHBondContact O-N 3.04Å; A915-Q919 PolarHBondContact O-N 3.28Å; A915-Q919 VanDerWaalsContact O-N 3.07Å; A915-L1008 HydrophobicContact CB-CD1 4.02Å; A915-M1011 HydrophobicContact CB-SD 4.24Å |
| 916 | V | 86.1 | Confident | 82.3 | Confident | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.03 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57 | -51.3 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L869 S913 T918 Q919 H920 | L869-V916 HydrophobicContact CD1-CG2 3.79Å; L869-V916 HydrophobicContact CD2-CG2 3.77Å; L869-V916 HydrophobicContact CG-CG2 3.8Å; S913-V916 PolarHBondContact O-N 3.15Å; V916-T918 VanDerWaalsContact C-N 3.29Å; V916-T918 PolarHBondContact O-N 3.45Å; V916-Q919 PolarHBondContact O-N 3.43Å; V916-H920 VanDerWaalsContact CG1-CE1 3.43Å; V916-H920 WeakPolarHBondContact CG1-CE1 3.25Å; V916-H920 VanDerWaalsContact CG1-NE2 3.33Å; V916-H920 WeakPolarHBondContact CG1-NE2 3.41Å; V916-H920 WeakPolarHBondContact O-CB 3.36Å; V916-H920 PolarHBondContact O-CD2 2.97Å; V916-H920 VanDerWaalsContact O-CG 3.27Å; V916-H920 PolarHBondContact O-N 3.48Å |
| 917 | T | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -54.4 | -45.2 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | Y910 S913 A915 Q919 H920 L921 Y1004 R1005 | Y910-T917 HydrophobicContact CD1-CG2 4.05Å; Y910-T917 PolarHBondContact O-OG1 3.35Å; S913-T917 WeakPolarHBondContact O-CB 3.3Å; S913-T917 PolarHBondContact O-N 3.14Å; S913-T917 PolarHBondContact O-OG1 3.3Å; A915-T917 PolarHBondContact O-N 3.35Å; T917-Q919 PolarHBondContact O-N 2.93Å; T917-H920 PolarHBondContact O-N 3.04Å; T917-L921 HydrophobicContact CG2-CD1 3.62Å; T917-L921 HydrophobicContact CG2-CG 4.1Å; T917-L921 WeakPolarHBondContact O-CB 3.07Å; T917-L921 VanDerWaalsContact O-CG 3.22Å; T917-L921 WeakPolarHBondContact O-CG 3.46Å; T917-L921 PolarHBondContact O-N 2.94Å; T917-Y1004 HydrophobicContact CG2-CE2 4.07Å; T917-R1005 WeakPolarHBondContact CB-O 3.22Å; T917-R1005 VanDerWaalsContact CG2-O 3.24Å; T917-R1005 WeakPolarHBondContact CG2-O 3.48Å; T917-R1005 PolarHBondContact OG1-O 3.34Å |
| 918 | T | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | -179.6 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | R914 A915 V916 L922 P1007 L1008 M1011 L1012 | R914-T918 WeakPolarHBondContact O-CB 3.32Å; R914-T918 PolarHBondContact O-N 3.21Å; R914-T918 PolarHBondContact O-OG1 2.95Å; A915-T918 WeakPolarHBondContact O-CB 3.08Å; A915-T918 PolarHBondContact O-N 3.04Å; V916-T918 VanDerWaalsContact C-N 3.29Å; V916-T918 PolarHBondContact O-N 3.45Å; T918-L922 HydrophobicContact CG2-CD1 4.02Å; T918-L922 WeakPolarHBondContact O-CB 3.34Å; T918-L922 VanDerWaalsContact O-CG 3.3Å; T918-L922 WeakPolarHBondContact O-CG 3.43Å; T918-L922 PolarHBondContact O-N 2.88Å; T918-P1007 HydrophobicContact CG2-CB 4.07Å; T918-P1007 WeakPolarHBondContact OG1-CA 3.41Å; T918-P1007 VanDerWaalsContact OG1-CB 3.23Å; T918-P1007 WeakPolarHBondContact OG1-CB 3.24Å; T918-L1008 PolarHBondContact OG1-N 3.42Å; T918-M1011 HydrophobicContact CG2-CB 3.81Å; T918-M1011 HydrophobicContact CG2-CE 4.44Å; T918-M1011 HydrophobicContact CG2-SD 4.48Å; T918-L1012 HydrophobicContact CG2-CD2 3.75Å; T918-L1012 HydrophobicContact CG2-CG 4.09Å |
| 919 | Q | 91.2 | Very high | 87.8 | Confident | 22 Ų | 22 | 11.5 Ų | 11.5 | 10% | 0.103 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | -179.9 | -67.6 | -176.5 | -0.5 | 0 | 0 | 111.6 | L6 A915 V916 T917 S923 M1011 | L6-Q919 HydrophobicContact CD1-CB 4.21Å; L6-Q919 HydrophobicContact CD1-CG 4.12Å; A915-Q919 PolarHBondContact O-N 3.28Å; A915-Q919 VanDerWaalsContact O-N 3.07Å; V916-Q919 PolarHBondContact O-N 3.43Å; T917-Q919 PolarHBondContact O-N 2.93Å; Q919-S923 VanDerWaalsContact O-CB 3.3Å; Q919-S923 WeakPolarHBondContact O-CB 3.32Å; Q919-S923 PolarHBondContact O-N 3.13Å; Q919-S923 PolarHBondContact O-OG 3.05Å; Q919-M1011 HydrophobicContact CG-CE 3.89Å |
| 920 | H | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 179.2 | -72.6 | -157.3 | 0 | 0 | 0 | 111.6 | L8 L839 F867 T909 Y910 V916 T917 S923 A924 | L8-H920 WeakPolarHBondContact CD1-CD2 3.2Å; L839-H920 HydrophobicContact CD2-CB 4.2Å; F867-H920 AromaticContact CD1-CE1 3.6Å; F867-H920 AromaticContact CD1-NE2 3.51Å; F867-H920 AromaticContact CD2-CE1 3.65Å; F867-H920 AromaticContact CE1-CE1 3.66Å; F867-H920 AromaticContact CE1-NE2 3.87Å; F867-H920 AromaticContact CE2-CE1 3.71Å; F867-H920 AromaticContact CG-CE1 3.58Å; F867-H920 AromaticContact CG-NE2 3.69Å; F867-H920 AromaticContact CZ-CE1 3.71Å; T909-H920 WeakPolarHBondContact CG2-CE1 3.33Å; T909-H920 VanDerWaalsContact CG2-ND1 3.26Å; T909-H920 WeakPolarHBondContact CG2-ND1 3.48Å; Y910-H920 HydrophobicContact CE1-CB 3.69Å; V916-H920 VanDerWaalsContact CG1-CE1 3.43Å; V916-H920 WeakPolarHBondContact CG1-CE1 3.25Å; V916-H920 VanDerWaalsContact CG1-NE2 3.33Å; V916-H920 WeakPolarHBondContact CG1-NE2 3.41Å; V916-H920 WeakPolarHBondContact O-CB 3.36Å; V916-H920 PolarHBondContact O-CD2 2.97Å; V916-H920 VanDerWaalsContact O-CG 3.27Å; V916-H920 PolarHBondContact O-N 3.48Å; T917-H920 PolarHBondContact O-N 3.04Å; H920-S923 PolarHBondContact O-N 3.47Å; H920-A924 WeakPolarHBondContact O-CB 3.36Å; H920-A924 PolarHBondContact O-N 3.39Å |
| 921 | L | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 178.9 | -70.1 | 178.5 | 0 | 0 | 0 | 111.9 | Y910 T917 S923 I925 H991 L995 P1007 L1030 | Y910-L921 HydrophobicContact CD1-CD2 4.3Å; Y910-L921 HydrophobicContact CD1-CG 4.41Å; Y910-L921 HydrophobicContact CE1-CD2 3.76Å; Y910-L921 HydrophobicContact CE1-CG 4.05Å; T917-L921 HydrophobicContact CG2-CD1 3.62Å; T917-L921 HydrophobicContact CG2-CG 4.1Å; T917-L921 WeakPolarHBondContact O-CB 3.07Å; T917-L921 VanDerWaalsContact O-CG 3.22Å; T917-L921 WeakPolarHBondContact O-CG 3.46Å; T917-L921 PolarHBondContact O-N 2.94Å; L921-S923 VanDerWaalsContact C-N 3.3Å; L921-S923 PolarHBondContact O-N 3.11Å; L921-I925 WeakPolarHBondContact O-CB 3.24Å; L921-I925 WeakPolarHBondContact O-CD1 3.35Å; L921-I925 VanDerWaalsContact O-CG1 3.25Å; L921-I925 WeakPolarHBondContact O-CG1 3.05Å; L921-I925 PolarHBondContact O-N 2.85Å; L921-H991 HydrophobicContact CD2-CB 3.84Å; L921-H991 VanDerWaalsContact CD2-O 3.29Å; L921-H991 WeakPolarHBondContact CD2-O 3.46Å; L921-L995 HydrophobicContact CD2-CD2 3.73Å; L921-P1007 HydrophobicContact CD1-CG 4.42Å; L921-L1030 HydrophobicContact CB-CD1 3.71Å; L921-L1030 HydrophobicContact CB-CD2 4.16Å; L921-L1030 HydrophobicContact CD1-CD2 4.03Å |
| 922 | L | 94.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 175.6 | -75.1 | 171.5 | 0 | 0 | 0 | 111.3 | L6 T918 S926 L1012 R1015 A1026 A1027 L1030 | L6-L922 HydrophobicContact CD2-CB 3.79Å; T918-L922 HydrophobicContact CG2-CD1 4.02Å; T918-L922 WeakPolarHBondContact O-CB 3.34Å; T918-L922 VanDerWaalsContact O-CG 3.3Å; T918-L922 WeakPolarHBondContact O-CG 3.43Å; T918-L922 PolarHBondContact O-N 2.88Å; L922-S926 WeakPolarHBondContact O-CB 3.41Å; L922-S926 PolarHBondContact O-N 3.18Å; L922-S926 PolarHBondContact O-OG 2.86Å; L922-L1012 HydrophobicContact CD1-CD2 4.3Å; L922-L1012 HydrophobicContact CD2-CD2 3.95Å; L922-L1012 HydrophobicContact CG-CD2 4.13Å; L922-R1015 HydrophobicContact CD1-CG 4.19Å; L922-A1026 HydrophobicContact CD2-CB 4.29Å; L922-A1027 HydrophobicContact CD2-CB 3.67Å; L922-L1030 HydrophobicContact CD2-CD1 3.99Å; L922-L1030 HydrophobicContact CG-CD1 4.21Å |
| 923 | S | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.2 | -49.3 | -178.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | V740 Q919 H920 L921 S926 L927 | V740-S923 WeakPolarHBondContact CG2-OG 3.29Å; Q919-S923 VanDerWaalsContact O-CB 3.3Å; Q919-S923 WeakPolarHBondContact O-CB 3.32Å; Q919-S923 PolarHBondContact O-N 3.13Å; Q919-S923 PolarHBondContact O-OG 3.05Å; H920-S923 PolarHBondContact O-N 3.47Å; L921-S923 VanDerWaalsContact C-N 3.3Å; L921-S923 PolarHBondContact O-N 3.11Å; S923-S926 PolarHBondContact O-OG 2.65Å; S923-S926 VanDerWaalsContact O-OG 3.11Å; S923-L927 WeakPolarHBondContact O-CB 3.14Å; S923-L927 WeakPolarHBondContact O-CG 3.43Å; S923-L927 PolarHBondContact O-N 3.33Å; S923-L927 VanDerWaalsContact O-N 3.13Å |
| 924 | A | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L839 H920 A928 | L839-A924 HydrophobicContact CB-CB 4.49Å; L839-A924 HydrophobicContact CD1-CB 4.43Å; H920-A924 WeakPolarHBondContact O-CB 3.36Å; H920-A924 PolarHBondContact O-N 3.39Å; A924-A928 WeakPolarHBondContact O-CB 3.27Å; A924-A928 PolarHBondContact O-N 2.81Å |
| 925 | I | 95.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.1 | -45.7 | -178.1 | -64.7 | 167.3 | 0 | 0 | 0 | 110.9 | L921 L927 A928 N929 H991 C992 A1026 L1030 | L921-I925 WeakPolarHBondContact O-CB 3.24Å; L921-I925 WeakPolarHBondContact O-CD1 3.35Å; L921-I925 VanDerWaalsContact O-CG1 3.25Å; L921-I925 WeakPolarHBondContact O-CG1 3.05Å; L921-I925 PolarHBondContact O-N 2.85Å; I925-L927 PolarHBondContact O-N 2.96Å; I925-A928 PolarHBondContact O-N 3Å; I925-N929 WeakPolarHBondContact O-CB 3.48Å; I925-N929 VanDerWaalsContact O-CG 3.26Å; I925-N929 PolarHBondContact O-N 3.26Å; I925-H991 HydrophobicContact CD1-CB 4.37Å; I925-H991 HydrophobicContact CG1-CB 4.13Å; I925-C992 HydrophobicContact CD1-CB 3.73Å; I925-A1026 HydrophobicContact CB-CB 3.95Å; I925-A1026 HydrophobicContact CG2-CB 3.65Å; I925-L1030 HydrophobicContact CD1-CD1 3.98Å; I925-L1030 HydrophobicContact CD1-CD2 3.65Å; I925-L1030 HydrophobicContact CD1-CG 3.8Å |
| 926 | S | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 179.4 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | L922 S923 N929 T930 E1022 | L922-S926 WeakPolarHBondContact O-CB 3.41Å; L922-S926 PolarHBondContact O-N 3.18Å; L922-S926 PolarHBondContact O-OG 2.86Å; S923-S926 PolarHBondContact O-OG 2.65Å; S923-S926 VanDerWaalsContact O-OG 3.11Å; S926-N929 PolarHBondContact O-N 2.93Å; S926-T930 PolarHBondContact O-N 2.93Å; S926-T930 PolarHBondContact O-OG1 2.89Å; S926-E1022 WeakPolarHBondContact CB-O 3.45Å |
| 927 | L | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.4 | -39.9 | 176.6 | -72 | 169.4 | 0 | 0 | 0 | 112.7 | V740 L743 I744 L747 F835 M836 S923 I925 N929 T930 L931 | V740-L927 HydrophobicContact CG1-CD1 4.38Å; V740-L927 HydrophobicContact CG1-CG 4.15Å; L743-L927 HydrophobicContact CD2-CD1 4.06Å; L743-L927 HydrophobicContact CD2-CD2 3.81Å; L743-L927 HydrophobicContact CG-CD2 4.01Å; I744-L927 HydrophobicContact CD1-CD2 4.44Å; I744-L927 HydrophobicContact CG1-CD2 3.7Å; L747-L927 HydrophobicContact CD1-CD2 4.19Å; F835-L927 HydrophobicContact CD1-CD1 3.37Å; F835-L927 HydrophobicContact CE1-CD1 3.55Å; M836-L927 HydrophobicContact CE-CB 4.44Å; M836-L927 HydrophobicContact CG-CB 4.39Å; M836-L927 HydrophobicContact CG-CD1 4.36Å; M836-L927 HydrophobicContact SD-CB 3.57Å; M836-L927 VanDerWaalsContact SD-CB 3.57Å; M836-L927 HydrophobicContact SD-CD1 3.87Å; M836-L927 HydrophobicContact SD-CG 4.39Å; S923-L927 WeakPolarHBondContact O-CB 3.14Å; S923-L927 WeakPolarHBondContact O-CG 3.43Å; S923-L927 PolarHBondContact O-N 3.33Å; S923-L927 VanDerWaalsContact O-N 3.13Å; I925-L927 PolarHBondContact O-N 2.96Å; L927-N929 VanDerWaalsContact C-N 3.33Å; L927-N929 PolarHBondContact O-N 3.07Å; L927-T930 WeakPolarHBondContact O-CB 3.2Å; L927-T930 PolarHBondContact O-N 2.8Å; L927-L931 WeakPolarHBondContact O-CB 3.41Å; L927-L931 VanDerWaalsContact O-CG 3.3Å; L927-L931 WeakPolarHBondContact O-CG 3.29Å; L927-L931 PolarHBondContact O-N 3.45Å |
| 928 | A | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | M836 A924 I925 L931 M932 W984 L987 A988 | M836-A928 HydrophobicContact CE-CB 4.16Å; A924-A928 WeakPolarHBondContact O-CB 3.27Å; A924-A928 PolarHBondContact O-N 2.81Å; I925-A928 PolarHBondContact O-N 3Å; A928-L931 PolarHBondContact O-N 2.93Å; A928-M932 VanDerWaalsContact O-CB 3.27Å; A928-M932 WeakPolarHBondContact O-CB 3.38Å; A928-M932 PolarHBondContact O-N 3.46Å; A928-W984 HydrophobicContact CB-CE3 4.25Å; A928-L987 HydrophobicContact CB-CD2 3.97Å; A928-A988 HydrophobicContact CB-CB 4.04Å |
| 929 | N | 94.1 | Very high | 89.6 | Confident | 39 Ų | 39 | 18 Ų | 18 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.4 | -71.9 | -13.4 | 0 | 0 | 0 | 111.7 | I925 S926 L927 M932 G933 | I925-N929 WeakPolarHBondContact O-CB 3.48Å; I925-N929 VanDerWaalsContact O-CG 3.26Å; I925-N929 PolarHBondContact O-N 3.26Å; S926-N929 PolarHBondContact O-N 2.93Å; L927-N929 VanDerWaalsContact C-N 3.33Å; L927-N929 PolarHBondContact O-N 3.07Å; N929-M932 WeakPolarHBondContact O-CB 3.38Å; N929-M932 PolarHBondContact O-N 3.08Å; N929-G933 PolarHBondContact O-N 3.34Å; N929-G933 VanDerWaalsContact O-N 3.08Å |
| 930 | T | 94.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -52.5 | 175.6 | -53.4 | 0 | 0 | 0 | 0 | 111 | I744 L747 L748 S926 L927 M932 G933 M934 E1022 | I744-T930 HydrophobicContact CG2-CG2 4.02Å; L747-T930 HydrophobicContact CB-CG2 4.49Å; L748-T930 HydrophobicContact CD2-CG2 3.92Å; L748-T930 HydrophobicContact CG-CG2 4.02Å; S926-T930 PolarHBondContact O-N 2.93Å; S926-T930 PolarHBondContact O-OG1 2.89Å; L927-T930 WeakPolarHBondContact O-CB 3.2Å; L927-T930 PolarHBondContact O-N 2.8Å; T930-M932 VanDerWaalsContact C-N 3.31Å; T930-M932 PolarHBondContact O-N 3.47Å; T930-G933 WeakPolarHBondContact O-CA 3.46Å; T930-G933 PolarHBondContact O-N 3.26Å; T930-M934 HydrophobicContact CG2-SD 4.5Å; T930-M934 WeakPolarHBondContact O-CG 3.44Å; T930-M934 PolarHBondContact O-N 3.46Å; T930-E1022 WeakPolarHBondContact OG1-CG 3.47Å |
| 931 | L | 92.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.1 | -33.3 | -179.6 | -66.9 | 167 | 0 | 0 | 0 | 112 | L747 L927 A928 G933 M934 A937 F939 W984 | L747-L931 HydrophobicContact CD1-CD2 4.27Å; L927-L931 WeakPolarHBondContact O-CB 3.41Å; L927-L931 VanDerWaalsContact O-CG 3.3Å; L927-L931 WeakPolarHBondContact O-CG 3.29Å; L927-L931 PolarHBondContact O-N 3.45Å; A928-L931 PolarHBondContact O-N 2.93Å; L931-G933 VanDerWaalsContact C-N 3.29Å; L931-G933 PolarHBondContact O-N 3.47Å; L931-M934 HydrophobicContact CD2-SD 3.97Å; L931-M934 PolarHBondContact O-N 2.99Å; L931-A937 HydrophobicContact CB-CB 4.16Å; L931-A937 HydrophobicContact CD2-CB 4.02Å; L931-A937 VanDerWaalsContact O-CB 3.22Å; L931-A937 WeakPolarHBondContact O-CB 3.46Å; L931-F939 HydrophobicContact CD1-CZ 3.87Å; L931-W984 HydrophobicContact CB-CD2 3.95Å; L931-W984 HydrophobicContact CB-CE3 4.45Å; L931-W984 HydrophobicContact CB-CG 4.29Å; L931-W984 HydrophobicContact CB-CZ2 4.2Å; L931-W984 HydrophobicContact CD1-CD2 4.42Å; L931-W984 HydrophobicContact CD1-CE3 4.24Å; L931-W984 HydrophobicContact CD1-CH2 3.61Å; L931-W984 HydrophobicContact CD1-CZ2 3.74Å; L931-W984 HydrophobicContact CD1-CZ3 3.85Å; L931-W984 HydrophobicContact CG-CZ2 4.5Å |
| 932 | M | 91.3 | Very high | 85.5 | Confident | 61 Ų | 61 | 27.4 Ų | 27.4 | 30% | 0.3 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 172.1 | -176.4 | -178.8 | 63.7 | 0 | 0 | 112.4 | A928 N929 T930 K981 W984 | A928-M932 VanDerWaalsContact O-CB 3.27Å; A928-M932 WeakPolarHBondContact O-CB 3.38Å; A928-M932 PolarHBondContact O-N 3.46Å; N929-M932 WeakPolarHBondContact O-CB 3.38Å; N929-M932 PolarHBondContact O-N 3.08Å; T930-M932 VanDerWaalsContact C-N 3.31Å; T930-M932 PolarHBondContact O-N 3.47Å; M932-K981 HydrophobicContact CG-CB 4.22Å; M932-K981 HydrophobicContact CG-CG 4.5Å; M932-K981 WeakPolarHBondContact O-CD 3.3Å; M932-K981 WeakPolarHBondContact O-CE 3.49Å; M932-K981 PolarHBondContact O-NZ 3.48Å; M932-W984 HydrophobicContact CB-CB 3.86Å; M932-W984 HydrophobicContact CG-CB 4.47Å |
| 933 | G | 85.7 | Confident | 83.1 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 58% | 0.577 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -68.3 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N929 T930 L931 | N929-G933 PolarHBondContact O-N 3.34Å; N929-G933 VanDerWaalsContact O-N 3.08Å; T930-G933 WeakPolarHBondContact O-CA 3.46Å; T930-G933 PolarHBondContact O-N 3.26Å; L931-G933 VanDerWaalsContact C-N 3.29Å; L931-G933 PolarHBondContact O-N 3.47Å |
| 934 | M | 85.8 | Confident | 80.6 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -65.3 | 159.1 | -177.8 | -67.5 | 169 | 77.9 | 0 | 0 | 113.8 | L747 E751 T930 L931 A937 | L747-M934 HydrophobicContact CB-CE 4.23Å; L747-M934 HydrophobicContact CB-SD 4.04Å; L747-M934 HydrophobicContact CD2-CE 4.27Å; E751-M934 HydrophobicContact CB-CE 4.03Å; E751-M934 HydrophobicContact CB-CG 4.39Å; E751-M934 HydrophobicContact CG-CB 4.4Å; E751-M934 HydrophobicContact CG-CG 4.18Å; T930-M934 HydrophobicContact CG2-SD 4.5Å; T930-M934 WeakPolarHBondContact O-CG 3.44Å; T930-M934 PolarHBondContact O-N 3.46Å; L931-M934 HydrophobicContact CD2-SD 3.97Å; L931-M934 PolarHBondContact O-N 2.99Å; M934-A937 HydrophobicContact CB-CB 3.87Å |
| 935 | T | 78.1 | Confident | 78.2 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -85.4 | 126 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 110.8 | E751 R754 A937 | E751-T935 WeakPolarHBondContact OE1-CA 3.44Å; E751-T935 VanDerWaalsContact OE1-CB 3.28Å; E751-T935 WeakPolarHBondContact OE1-CB 3.37Å; E751-T935 PolarHBondContact OE1-N 3.39Å; E751-T935 PolarHBondContact OE1-OG1 2.95Å; R754-T935 PolarHBondContact NH1-O 3.38Å; T935-A937 VanDerWaalsContact C-N 3.29Å; T935-A937 PolarHBondContact O-N 2.91Å |
| 936 | N | 70.8 | Confident | 75.3 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 52.7 | 36.7 | 178.8 | -69.4 | -18.9 | 0 | 0 | 0 | 115.6 | T938 Q977 | N936-T938 VanDerWaalsContact C-N 3.33Å; N936-T938 PolarHBondContact O-N 3.32Å; N936-Q977 WeakPolarHBondContact OD1-CG 3.34Å |
| 937 | A | 80 | Confident | 72.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | trans | -71.6 | 85.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L931 M934 T935 I980 W984 | L931-A937 HydrophobicContact CB-CB 4.16Å; L931-A937 HydrophobicContact CD2-CB 4.02Å; L931-A937 VanDerWaalsContact O-CB 3.22Å; L931-A937 WeakPolarHBondContact O-CB 3.46Å; M934-A937 HydrophobicContact CB-CB 3.87Å; T935-A937 VanDerWaalsContact C-N 3.29Å; T935-A937 PolarHBondContact O-N 2.91Å; A937-I980 WeakPolarHBondContact O-CG2 3.46Å; A937-W984 PolarHBondContact O-NE1 3.46Å | ||
| 938 | T | 82.7 | Confident | 69.4 | Low | 22 Ų | 22 | 62.4 Ų | 62.4 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | trans | -126.5 | 142.5 | 169.6 | 174.5 | 0 | 0 | 0 | 0 | 109.3 | R855 N936 V940 I980 | R855-T938 PolarHBondContact O-OG1 3.18Å; N936-T938 VanDerWaalsContact C-N 3.33Å; N936-T938 PolarHBondContact O-N 3.32Å; T938-V940 PolarHBondContact O-N 3.12Å; T938-V940 WeakPolarHBondContact OG1-CB 3.3Å; T938-V940 WeakPolarHBondContact OG1-CG2 3.37Å; T938-V940 PolarHBondContact OG1-N 2.83Å; T938-I980 HydrophobicContact CG2-CD1 4.11Å | ||
| 939 | F | 83.2 | Confident | 66.4 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 7% | 0.066 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -83.9 | 6.2 | 174.2 | -56.2 | -50.7 | 0 | 0 | 0 | 113 | M829 A832 K833 L856 G857 M858 L931 G941 W984 | M829-F939 HydrophobicContact CE-CD1 3.76Å; M829-F939 HydrophobicContact CE-CE1 3.8Å; M829-F939 WeakPolarHBondContact O-CE1 3.21Å; M829-F939 HydrophobicContact SD-CE1 4.42Å; A832-F939 HydrophobicContact CB-CE1 4.03Å; A832-F939 HydrophobicContact CB-CZ 4Å; K833-F939 HydrophobicContact CB-CB 4.37Å; K833-F939 HydrophobicContact CB-CD1 3.71Å; K833-F939 HydrophobicContact CB-CD2 4.02Å; K833-F939 HydrophobicContact CB-CE1 3.89Å; K833-F939 HydrophobicContact CB-CE2 4.13Å; K833-F939 HydrophobicContact CB-CG 3.8Å; K833-F939 HydrophobicContact CB-CZ 4.1Å; K833-F939 HydrophobicContact CD-CB 3.88Å; K833-F939 HydrophobicContact CD-CG 4.23Å; K833-F939 HydrophobicContact CG-CB 3.98Å; K833-F939 HydrophobicContact CG-CD1 4.25Å; K833-F939 HydrophobicContact CG-CD2 3.93Å; K833-F939 HydrophobicContact CG-CE2 4.43Å; K833-F939 HydrophobicContact CG-CG 3.82Å; K833-F939 PolarHBondContact NZ-O 2.9Å; K833-F939 VanDerWaalsContact NZ-O 3.17Å; L856-F939 WeakPolarHBondContact O-CA 3.3Å; L856-F939 WeakPolarHBondContact O-CB 3.17Å; L856-F939 WeakPolarHBondContact O-CD2 3.43Å; L856-F939 PolarHBondContact O-N 3.37Å; G857-F939 WeakPolarHBondContact O-CB 3.46Å; M858-F939 HydrophobicContact CG-CD2 3.91Å; M858-F939 HydrophobicContact CG-CE2 4.08Å; L931-F939 HydrophobicContact CD1-CZ 3.87Å; F939-G941 PolarHBondContact O-N 3.18Å; F939-W984 HydrophobicContact CD2-CH2 4.11Å; F939-W984 HydrophobicContact CD2-CZ2 4.38Å; F939-W984 AromaticContact CE2-CH2 3.5Å; F939-W984 HydrophobicContact CE2-CH2 3.5Å; F939-W984 HydrophobicContact CE2-CZ2 4.02Å; F939-W984 HydrophobicContact CZ-CH2 4.1Å; F939-W984 HydrophobicContact CZ-CZ2 4.41Å |
| 940 | V | 77.3 | Confident | 63.5 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | trans | -79.3 | 109.6 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 109 | T938 M944 | T938-V940 PolarHBondContact O-N 3.12Å; T938-V940 WeakPolarHBondContact OG1-CB 3.3Å; T938-V940 WeakPolarHBondContact OG1-CG2 3.37Å; T938-V940 PolarHBondContact OG1-N 2.83Å; V940-M944 HydrophobicContact CG1-CB 3.86Å; V940-M944 HydrophobicContact CG1-SD 4.5Å | ||
| 941 | G | 64.1 | Low | 60.6 | Low | 25 Ų | 25 | 80 Ų | 80 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | trans | -64.2 | 150.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F939 H943 M944 | F939-G941 PolarHBondContact O-N 3.18Å; G941-H943 PolarHBondContact O-N 2.97Å; G941-H943 VanDerWaalsContact O-N 3.12Å; G941-M944 WeakPolarHBondContact O-CB 3.32Å; G941-M944 PolarHBondContact O-N 3.38Å | ||
| 942 | E | 49 | Very low | 57.8 | Low | 162 Ų | 162 | 85.8 Ų | 85.8 | 76% | 0.757 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -57.7 | -29.6 | -179.3 | -68.7 | -154 | 141.4 | 0 | 0 | 114 | M944 K945 | E942-M944 PolarHBondContact O-N 3.38Å; E942-K945 WeakPolarHBondContact O-CB 3.2Å; E942-K945 PolarHBondContact O-N 3.09Å |
| 943 | H | 45.5 | Very low | 55.3 | Low | 127 Ų | 127 | 93 Ų | 93 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -67.7 | -21.9 | 175.5 | 63.3 | -84.8 | 0 | 0 | 0 | 113.3 | G941 K945 | G941-H943 PolarHBondContact O-N 2.97Å; G941-H943 VanDerWaalsContact O-N 3.12Å; H943-K945 VanDerWaalsContact C-N 3.34Å |
| 944 | M | 41.6 | Very low | 52.9 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -80.2 | -16.4 | 174.6 | -57.6 | -159.2 | 80.3 | 0 | 0 | 112.7 | E492 V940 G941 E942 K946 | E492-M944 VanDerWaalsContact OE2-CE 3.26Å; E492-M944 WeakPolarHBondContact OE2-CE 3.44Å; V940-M944 HydrophobicContact CG1-CB 3.86Å; V940-M944 HydrophobicContact CG1-SD 4.5Å; G941-M944 WeakPolarHBondContact O-CB 3.32Å; G941-M944 PolarHBondContact O-N 3.38Å; E942-M944 PolarHBondContact O-N 3.38Å; M944-K946 VanDerWaalsContact C-N 3.31Å |
| 945 | K | 44.7 | Very low | 51.1 | Low | 126 Ų | 126 | 100.1 Ų | 100.1 | 55% | 0.548 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -77.8 | -14.7 | 176.7 | -62.6 | 179.4 | -178.2 | 172.2 | 0 | 112.9 | E942 H943 | E942-K945 WeakPolarHBondContact O-CB 3.2Å; E942-K945 PolarHBondContact O-N 3.09Å; H943-K945 VanDerWaalsContact C-N 3.34Å |
| 946 | K | 34.8 | Very low | 49.1 | Very low | 180 Ų | 180 | 100.5 Ų | 100.5 | 78% | 0.783 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -104.7 | 100.7 | 177.5 | -71.1 | -177.1 | -179.9 | 174.5 | 0 | 110.3 | M944 | M944-K946 VanDerWaalsContact C-N 3.31Š|
| 947 | A | 31.6 | Very low | 47.5 | Very low | 88 Ų | 88 | 103.7 Ų | 103.7 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | trans | -57.5 | 143.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A949 | A947-A949 PolarHBondContact O-N 3.26Š| ||
| 948 | P | 35.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 109.7 Ų | 109.7 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | trans | -65 | 111.8 | 179.9 | 24.9 | -31.5 | 0 | 0 | 0 | 109.8 | R950 | P948-R950 PolarHBondContact O-N 3.49Š| ||
| 949 | A | 33 | Very low | 43 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 109 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | A947 | A947-A949 PolarHBondContact O-N 3.26Š| ||
| 950 | R | 32.4 | Very low | 40.7 | Very low | 207 Ų | 207 | 121.8 Ų | 121.8 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.2 | 173.7 | -164.2 | -179.8 | -165.4 | 179.3 | 5.9 | 108 | P948 | P948-R950 PolarHBondContact O-N 3.49Š|
| 951 | P | 34.1 | Very low | 38.8 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.5 | 177 | 24.1 | -30.8 | 0 | 0 | 0 | 109.5 | R953 | P951-R953 PolarHBondContact O-N 2.92Š|
| 952 | P | 33.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128 | 178.5 | 25.4 | -30.6 | 0 | 0 | 0 | 109.1 | ||
| 953 | R | 36.9 | Very low | 36.5 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131.9 | 168.4 | -78.1 | -177.6 | 174 | -178.6 | -3.4 | 108.5 | P951 G955 | P951-R953 PolarHBondContact O-N 2.92Å; R953-G955 PolarHBondContact O-N 3.47Å |
| 954 | P | 37.2 | Very low | 35.9 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -77.7 | 122.6 | 171.7 | 30 | -28.8 | 0 | 0 | 0 | 109.1 | ||
| 955 | G | 47.5 | Very low | 35.4 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 110.3 | 100.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R953 | R953-G955 PolarHBondContact O-N 3.47Š| ||
| 956 | G | 35 | Very low | 34.6 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 172.9 | 116.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 957 | T | 37.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -58.1 | 156.9 | -176 | 39.4 | 0 | 0 | 0 | 0 | 114.7 | E959 | T957-E959 PolarHBondContact O-N 3.47Š| ||
| 958 | P | 37 | Very low | 34.6 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -83 | 115.5 | -174.2 | 32.3 | -30.4 | 0 | 0 | 0 | 111.4 | ||||
| 959 | E | 32.1 | Very low | 34.5 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -120.1 | 147.5 | 160.5 | -83.3 | -163 | 160.8 | 0 | 0 | 111.5 | T957 | T957-E959 PolarHBondContact O-N 3.47Š| ||
| 960 | S | 33.3 | Very low | 34.8 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -48 | 154.8 | -165.8 | 57.3 | 0 | 0 | 0 | 0 | 118.3 | R962 | S960-R962 PolarHBondContact O-N 3.46Š| ||
| 961 | P | 37.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -78 | 113.3 | -174.7 | 32 | -32.2 | 0 | 0 | 0 | 111.7 | ||||
| 962 | R | 32.3 | Very low | 35.9 | Very low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 124.2 | 157.6 | -81.9 | -175.2 | 175 | -177.4 | -0.5 | 108.9 | S960 T964 | S960-R962 PolarHBondContact O-N 3.46Å; R962-T964 PolarHBondContact O-N 2.97Å; R962-T964 VanDerWaalsContact O-N 3.09Å | ||
| 963 | R | 33.2 | Very low | 37.4 | Very low | 253 Ų | 253 | 132.3 Ų | 132.3 | 96% | 0.955 | 78% | 0.775 | S | S | * | * | trans | -53.6 | 107.7 | 172.5 | -77.5 | 175.6 | 169.6 | 173.5 | -4 | 110.7 | ||||
| 964 | T | 33.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 144.2 | 153 | 36.4 | 0 | 0 | 0 | 0 | 109.2 | R962 A966 | R962-T964 PolarHBondContact O-N 2.97Å; R962-T964 VanDerWaalsContact O-N 3.09Å; T964-A966 PolarHBondContact O-N 3.39Å |
| 965 | P | 31.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.8 | 173.7 | -10.8 | 23.2 | 0 | 0 | 0 | 109.2 | A967 | P965-A967 PolarHBondContact O-N 3.02Š|
| 966 | A | 27.4 | Very low | 42.7 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T964 | T964-A966 PolarHBondContact O-N 3.39Š|
| 967 | A | 32.5 | Very low | 44.9 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P965 | P965-A967 PolarHBondContact O-N 3.02Š|
| 968 | P | 33.7 | Very low | 47.1 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 145.2 | -178.6 | 21.9 | -31 | 0 | 0 | 0 | 110.5 | Q970 | P968-Q970 PolarHBondContact O-N 2.62Š|
| 969 | P | 33 | Very low | 49.5 | Very low | 125 Ų | 125 | 113.2 Ų | 113.2 | 81% | 0.812 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 129.4 | -178.7 | 23.5 | -32 | 0 | 0 | 0 | 109.3 | ||
| 970 | Q | 38.6 | Very low | 52.1 | Low | 182 Ų | 182 | 104.8 Ų | 104.8 | 85% | 0.85 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.8 | 174.2 | -73.9 | -141.3 | -16.2 | 0 | 0 | 109.1 | P968 S972 | P968-Q970 PolarHBondContact O-N 2.62Å; Q970-S972 PolarHBondContact O-N 2.72Å |
| 971 | P | 42.5 | Very low | 54.9 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 140 | -179.1 | 23.6 | -31.3 | 0 | 0 | 0 | 109.7 | A975 L976 | P971-A975 HydrophobicContact CB-CB 4.1Å; P971-L976 HydrophobicContact CG-CB 4.33Å |
| 972 | S | 47.9 | Very low | 57.5 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 147.2 | 169.4 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | Q970 P974 A975 L976 | Q970-S972 PolarHBondContact O-N 2.72Å; S972-P974 VanDerWaalsContact C-N 3.26Å; S972-P974 VanDerWaalsContact O-N 3.07Å; S972-A975 WeakPolarHBondContact O-CB 3.34Å; S972-A975 PolarHBondContact O-N 3Å; S972-L976 PolarHBondContact O-N 2.93Å |
| 973 | N | 66.4 | Low | 60.3 | Low | 111 Ų | 111 | 91 Ų | 91 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -42.8 | -42.4 | 179.9 | -155.7 | 2.6 | 0 | 0 | 0 | 114.4 | Q977 | N973-Q977 PolarHBondContact O-N 3.32Å |
| 974 | P | 74.3 | Confident | 63.2 | Low | 86 Ų | 86 | 79 Ų | 79 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.3 | -32.1 | 176.5 | 25.4 | -34.7 | 0 | 0 | 0 | 115 | S972 Q977 A978 | S972-P974 VanDerWaalsContact C-N 3.26Å; S972-P974 VanDerWaalsContact O-N 3.07Å; P974-Q977 PolarHBondContact O-N 3.27Å; P974-A978 PolarHBondContact O-N 3.09Å |
| 975 | A | 77.8 | Confident | 66.1 | Low | 40 Ų | 40 | 75.9 Ų | 75.9 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P971 S972 A978 Q979 | P971-A975 HydrophobicContact CB-CB 4.1Å; S972-A975 WeakPolarHBondContact O-CB 3.34Å; S972-A975 PolarHBondContact O-N 3Å; A975-A978 PolarHBondContact O-N 3.38Å; A975-Q979 WeakPolarHBondContact O-CG 3.48Å; A975-Q979 PolarHBondContact O-N 3.3Å |
| 976 | L | 79.4 | Confident | 69.1 | Low | 64 Ų | 64 | 73.4 Ų | 73.4 | 34% | 0.335 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 173.7 | -178.2 | 62.4 | 0 | 0 | 0 | 111.4 | P971 S972 A978 Q979 I980 | P971-L976 HydrophobicContact CG-CB 4.33Å; S972-L976 PolarHBondContact O-N 2.93Å; L976-A978 PolarHBondContact O-N 2.91Å; L976-Q979 WeakPolarHBondContact O-CB 3.49Å; L976-Q979 PolarHBondContact O-N 2.81Å; L976-I980 HydrophobicContact CG-CD1 4.24Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.32Å |
| 977 | Q | 81.7 | Confident | 72.2 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.8 | -170.6 | 178.5 | 6.7 | 0 | 0 | 112.2 | N936 N973 P974 Q979 I980 K981 | N936-Q977 WeakPolarHBondContact OD1-CG 3.34Å; N973-Q977 PolarHBondContact O-N 3.32Å; P974-Q977 PolarHBondContact O-N 3.27Å; Q977-Q979 VanDerWaalsContact C-N 3.31Å; Q977-Q979 PolarHBondContact O-N 3.01Å; Q977-I980 PolarHBondContact O-N 3.5Å; Q977-K981 WeakPolarHBondContact O-CG 3.39Å; Q977-K981 PolarHBondContact O-N 2.85Å |
| 978 | A | 84.8 | Confident | 75.1 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 49% | 0.488 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | P974 A975 L976 K981 Q982 | P974-A978 PolarHBondContact O-N 3.09Å; A975-A978 PolarHBondContact O-N 3.38Å; L976-A978 PolarHBondContact O-N 2.91Å; A978-K981 PolarHBondContact O-N 3.19Å; A978-Q982 WeakPolarHBondContact O-CB 3.3Å; A978-Q982 PolarHBondContact O-N 3.48Å |
| 979 | Q | 86.3 | Confident | 78 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 176.4 | -71.7 | 177.2 | 5.9 | 0 | 0 | 113.1 | A975 L976 Q977 Q982 G983 | A975-Q979 WeakPolarHBondContact O-CG 3.48Å; A975-Q979 PolarHBondContact O-N 3.3Å; L976-Q979 WeakPolarHBondContact O-CB 3.49Å; L976-Q979 PolarHBondContact O-N 2.81Å; Q977-Q979 VanDerWaalsContact C-N 3.31Å; Q977-Q979 PolarHBondContact O-N 3.01Å; Q979-Q982 PolarHBondContact O-N 2.97Å; Q979-G983 PolarHBondContact O-N 2.93Å |
| 980 | I | 87.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.5 | -68.7 | 164.2 | 0 | 0 | 0 | 110.3 | L856 A937 T938 L976 Q977 Q982 G983 W984 | L856-I980 HydrophobicContact CD2-CG2 4.21Å; A937-I980 WeakPolarHBondContact O-CG2 3.46Å; T938-I980 HydrophobicContact CG2-CD1 4.11Å; L976-I980 HydrophobicContact CG-CD1 4.24Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.32Å; Q977-I980 PolarHBondContact O-N 3.5Å; I980-Q982 VanDerWaalsContact C-N 3.29Å; I980-Q982 PolarHBondContact O-N 2.96Å; I980-G983 WeakPolarHBondContact O-CA 3.48Å; I980-G983 PolarHBondContact O-N 3.32Å; I980-W984 PolarHBondContact O-N 3.22Å; I980-W984 VanDerWaalsContact O-N 3.09Å |
| 981 | K | 90.9 | Very high | 83.3 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.9 | -69.3 | -168.3 | 175.4 | -147.1 | 0 | 111.9 | M932 Q977 A978 G983 W984 S985 | M932-K981 HydrophobicContact CG-CB 4.22Å; M932-K981 HydrophobicContact CG-CG 4.5Å; M932-K981 WeakPolarHBondContact O-CD 3.3Å; M932-K981 WeakPolarHBondContact O-CE 3.49Å; M932-K981 PolarHBondContact O-NZ 3.48Å; Q977-K981 WeakPolarHBondContact O-CG 3.39Å; Q977-K981 PolarHBondContact O-N 2.85Å; A978-K981 PolarHBondContact O-N 3.19Å; K981-G983 VanDerWaalsContact C-N 3.31Å; K981-G983 PolarHBondContact O-N 3.19Å; K981-W984 PolarHBondContact O-N 2.9Å; K981-S985 WeakPolarHBondContact O-CB 3.23Å; K981-S985 PolarHBondContact O-N 3.16Å |
| 982 | Q | 91.5 | Very high | 85.7 | Confident | 105 Ų | 105 | 45.4 Ų | 45.4 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 173.2 | -174 | -178.7 | 10.5 | 0 | 0 | 111.9 | A978 Q979 I980 S985 Q986 | A978-Q982 WeakPolarHBondContact O-CB 3.3Å; A978-Q982 PolarHBondContact O-N 3.48Å; Q979-Q982 PolarHBondContact O-N 2.97Å; I980-Q982 VanDerWaalsContact C-N 3.29Å; I980-Q982 PolarHBondContact O-N 2.96Å; Q982-S985 PolarHBondContact O-N 3.18Å; Q982-Q986 HydrophobicContact CG-CG 4.5Å; Q982-Q986 WeakPolarHBondContact O-CB 3.36Å; Q982-Q986 VanDerWaalsContact O-CG 3.3Å; Q982-Q986 WeakPolarHBondContact O-CG 3.31Å; Q982-Q986 PolarHBondContact O-N 2.74Å |
| 983 | G | 91.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q979 I980 K981 S985 Q986 L987 | Q979-G983 PolarHBondContact O-N 2.93Å; I980-G983 WeakPolarHBondContact O-CA 3.48Å; I980-G983 PolarHBondContact O-N 3.32Å; K981-G983 VanDerWaalsContact C-N 3.31Å; K981-G983 PolarHBondContact O-N 3.19Å; G983-S985 PolarHBondContact O-N 3.22Å; G983-Q986 PolarHBondContact O-N 2.99Å; G983-L987 PolarHBondContact O-N 3.24Å |
| 984 | W | 94.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.2 | -69.8 | 121.4 | 0 | 0 | 0 | 112.7 | M836 L856 M858 A928 L931 M932 A937 F939 I980 K981 Q986 L987 A988 | M836-W984 HydrophobicContact CE-CZ3 3.92Å; L856-W984 HydrophobicContact CB-CH2 4.09Å; L856-W984 HydrophobicContact CB-CZ2 4Å; L856-W984 HydrophobicContact CD1-CD2 4.05Å; L856-W984 HydrophobicContact CD1-CE3 3.88Å; L856-W984 HydrophobicContact CD1-CH2 4.1Å; L856-W984 HydrophobicContact CD1-CZ2 4.31Å; L856-W984 HydrophobicContact CD1-CZ3 3.9Å; L856-W984 HydrophobicContact CD2-CD2 4.03Å; L856-W984 HydrophobicContact CD2-CG 4.21Å; L856-W984 HydrophobicContact CD2-CZ2 4.08Å; L856-W984 HydrophobicContact CG-CZ2 4.35Å; M858-W984 HydrophobicContact CG-CH2 4.46Å; M858-W984 HydrophobicContact SD-CH2 4.24Å; M858-W984 HydrophobicContact SD-CZ3 4.18Å; A928-W984 HydrophobicContact CB-CE3 4.25Å; L931-W984 HydrophobicContact CB-CD2 3.95Å; L931-W984 HydrophobicContact CB-CE3 4.45Å; L931-W984 HydrophobicContact CB-CG 4.29Å; L931-W984 HydrophobicContact CB-CZ2 4.2Å; L931-W984 HydrophobicContact CD1-CD2 4.42Å; L931-W984 HydrophobicContact CD1-CE3 4.24Å; L931-W984 HydrophobicContact CD1-CH2 3.61Å; L931-W984 HydrophobicContact CD1-CZ2 3.74Å; L931-W984 HydrophobicContact CD1-CZ3 3.85Å; L931-W984 HydrophobicContact CG-CZ2 4.5Å; M932-W984 HydrophobicContact CB-CB 3.86Å; M932-W984 HydrophobicContact CG-CB 4.47Å; A937-W984 PolarHBondContact O-NE1 3.46Å; F939-W984 HydrophobicContact CD2-CH2 4.11Å; F939-W984 HydrophobicContact CD2-CZ2 4.38Å; F939-W984 AromaticContact CE2-CH2 3.5Å; F939-W984 HydrophobicContact CE2-CH2 3.5Å; F939-W984 HydrophobicContact CE2-CZ2 4.02Å; F939-W984 HydrophobicContact CZ-CH2 4.1Å; F939-W984 HydrophobicContact CZ-CZ2 4.41Å; I980-W984 PolarHBondContact O-N 3.22Å; I980-W984 VanDerWaalsContact O-N 3.09Å; K981-W984 PolarHBondContact O-N 2.9Å; W984-Q986 PolarHBondContact O-N 3.42Å; W984-L987 HydrophobicContact CE3-CD1 4.43Å; W984-L987 HydrophobicContact CZ3-CD1 4.19Å; W984-L987 PolarHBondContact O-N 2.89Å; W984-A988 PolarHBondContact O-N 2.97Å |
| 985 | S | 94.5 | Very high | 89.3 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 40% | 0.399 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | K981 Q982 G983 A988 A989 | K981-S985 WeakPolarHBondContact O-CB 3.23Å; K981-S985 PolarHBondContact O-N 3.16Å; Q982-S985 PolarHBondContact O-N 3.18Å; G983-S985 PolarHBondContact O-N 3.22Å; S985-A988 PolarHBondContact O-N 3.28Å; S985-A989 WeakPolarHBondContact O-CB 3.39Å; S985-A989 PolarHBondContact O-N 3.4Å |
| 986 | Q | 93.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.2 | -74.5 | 175.3 | -17 | 0 | 0 | 112.1 | L848 Q982 G983 W984 A989 M990 | L848-Q986 HydrophobicContact CD1-CB 3.87Å; Q982-Q986 HydrophobicContact CG-CG 4.5Å; Q982-Q986 WeakPolarHBondContact O-CB 3.36Å; Q982-Q986 VanDerWaalsContact O-CG 3.3Å; Q982-Q986 WeakPolarHBondContact O-CG 3.31Å; Q982-Q986 PolarHBondContact O-N 2.74Å; G983-Q986 PolarHBondContact O-N 2.99Å; W984-Q986 PolarHBondContact O-N 3.42Å; Q986-A989 PolarHBondContact O-N 3.36Å; Q986-M990 WeakPolarHBondContact O-CB 3.25Å; Q986-M990 PolarHBondContact O-N 2.9Å |
| 987 | L | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 175 | -171.9 | 155.3 | 0 | 0 | 0 | 111.5 | M836 L856 M858 A928 G983 W984 M990 H991 | M836-L987 HydrophobicContact CE-CD1 4.39Å; M836-L987 HydrophobicContact CE-CD2 3.8Å; L856-L987 HydrophobicContact CD1-CD1 4.28Å; M858-L987 HydrophobicContact CE-CD1 4.2Å; M858-L987 HydrophobicContact SD-CD1 3.72Å; A928-L987 HydrophobicContact CB-CD2 3.97Å; G983-L987 PolarHBondContact O-N 3.24Å; W984-L987 HydrophobicContact CE3-CD1 4.43Å; W984-L987 HydrophobicContact CZ3-CD1 4.19Å; W984-L987 PolarHBondContact O-N 2.89Å; L987-M990 PolarHBondContact O-N 3.44Å; L987-H991 PolarHBondContact O-N 3.33Å; L987-H991 PolarHBondContact O-ND1 3.38Å |
| 988 | A | 93.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A928 W984 S985 M990 H991 C992 | A928-A988 HydrophobicContact CB-CB 4.04Å; W984-A988 PolarHBondContact O-N 2.97Å; S985-A988 PolarHBondContact O-N 3.28Å; A988-M990 PolarHBondContact O-N 2.93Å; A988-H991 PolarHBondContact O-N 3.44Å; A988-C992 VanDerWaalsContact O-CB 3.23Å; A988-C992 WeakPolarHBondContact O-CB 3.42Å; A988-C992 PolarHBondContact O-N 2.95Å |
| 989 | A | 93.6 | Very high | 89.8 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S985 Q986 C992 V993 | S985-A989 WeakPolarHBondContact O-CB 3.39Å; S985-A989 PolarHBondContact O-N 3.4Å; Q986-A989 PolarHBondContact O-N 3.36Å; A989-C992 PolarHBondContact O-N 2.9Å; A989-V993 PolarHBondContact O-N 3.23Å |
| 990 | M | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -59.6 | -50.6 | 177 | -176.4 | -84.6 | -80.2 | 0 | 0 | 111 | H840 A841 L848 Q986 L987 A988 M994 L995 L998 | H840-M990 WeakPolarHBondContact CE1-CE 3.45Å; A841-M990 HydrophobicContact CB-CE 4.07Å; L848-M990 HydrophobicContact CD2-CB 3.61Å; L848-M990 HydrophobicContact CD2-CE 3.89Å; L848-M990 HydrophobicContact CD2-CG 3.79Å; Q986-M990 WeakPolarHBondContact O-CB 3.25Å; Q986-M990 PolarHBondContact O-N 2.9Å; L987-M990 PolarHBondContact O-N 3.44Å; A988-M990 PolarHBondContact O-N 2.93Å; M990-M994 CarbonylContact O-C 3.57Å; M990-M994 PolarHBondContact O-N 2.9Å; M990-M994 VanDerWaalsContact O-N 3.11Å; M990-L995 WeakPolarHBondContact O-CB 3.26Å; M990-L995 PolarHBondContact O-N 2.96Å; M990-L995 HydrophobicContact SD-CD1 4.11Å; M990-L998 HydrophobicContact CG-CD1 4.12Å |
| 991 | H | 91.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -70.2 | -33.5 | -179.6 | -67.9 | 90.9 | 0 | 0 | 0 | 113 | H840 A841 Y910 L921 I925 L987 A988 | H840-H991 AromaticContact ND1-CE1 3.34Å; H840-H991 PolarHBondContact ND1-CE1 3.38Å; H840-H991 VanDerWaalsContact ND1-CE1 3.34Å; H840-H991 AromaticContact ND1-NE2 3.94Å; A841-H991 PolarHBondContact N-NE2 3.42Å; Y910-H991 AromaticContact CZ-CD2 3.92Å; Y910-H991 PolarHBondContact OH-CD2 2.87Å; L921-H991 HydrophobicContact CD2-CB 3.84Å; L921-H991 VanDerWaalsContact CD2-O 3.29Å; L921-H991 WeakPolarHBondContact CD2-O 3.46Å; I925-H991 HydrophobicContact CD1-CB 4.37Å; I925-H991 HydrophobicContact CG1-CB 4.13Å; L987-H991 PolarHBondContact O-N 3.33Å; L987-H991 PolarHBondContact O-ND1 3.38Å; A988-H991 PolarHBondContact O-N 3.44Å |
| 992 | C | 91.6 | Very high | 87.8 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -76.1 | -37.9 | -177 | -169.7 | 0 | 0 | 0 | 0 | 113.4 | I925 A988 A989 | I925-C992 HydrophobicContact CD1-CB 3.73Å; A988-C992 VanDerWaalsContact O-CB 3.23Å; A988-C992 WeakPolarHBondContact O-CB 3.42Å; A988-C992 PolarHBondContact O-N 2.95Å; A989-C992 PolarHBondContact O-N 2.9Å |
| 993 | V | 89.5 | Confident | 86.9 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -129.2 | -40.5 | -168.6 | -173.6 | 0 | 0 | 0 | 0 | 113.8 | A989 P996 | A989-V993 PolarHBondContact O-N 3.23Å; V993-P996 WeakPolarHBondContact O-CD 3.29Å |
| 994 | M | 88.1 | Confident | 86.5 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -86.5 | -22.1 | -170.7 | -55.6 | 179.2 | 66.5 | 0 | 0 | 113.6 | M990 P996 D997 L998 | M990-M994 CarbonylContact O-C 3.57Å; M990-M994 PolarHBondContact O-N 2.9Å; M990-M994 VanDerWaalsContact O-N 3.11Å; M994-P996 VanDerWaalsContact C-CD 3.46Å; M994-D997 PolarHBondContact O-N 3.29Å; M994-L998 HydrophobicContact CB-CD1 4.17Å; M994-L998 WeakPolarHBondContact O-CG 3.49Å; M994-L998 PolarHBondContact O-N 3.04Å; M994-L998 VanDerWaalsContact O-N 3.1Å |
| 995 | L | 87 | Confident | 86 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.1 | -44.3 | -173.8 | -174.8 | 69.9 | 0 | 0 | 0 | 114.3 | A841 L844 Y910 L921 M990 D997 L998 L999 Y1004 | A841-L995 HydrophobicContact CB-CD1 3.92Å; L844-L995 HydrophobicContact CD1-CD1 3.53Å; Y910-L995 HydrophobicContact CD1-CD2 3.68Å; Y910-L995 HydrophobicContact CD2-CD1 4.32Å; Y910-L995 HydrophobicContact CD2-CD2 4.13Å; Y910-L995 HydrophobicContact CE1-CD2 4Å; Y910-L995 HydrophobicContact CE2-CD2 4.45Å; Y910-L995 HydrophobicContact CG-CD2 3.74Å; L921-L995 HydrophobicContact CD2-CD2 3.73Å; M990-L995 WeakPolarHBondContact O-CB 3.26Å; M990-L995 PolarHBondContact O-N 2.96Å; M990-L995 HydrophobicContact SD-CD1 4.11Å; L995-D997 VanDerWaalsContact C-N 3.32Å; L995-D997 PolarHBondContact O-N 3.11Å; L995-L998 PolarHBondContact O-N 3.17Å; L995-L999 HydrophobicContact CD1-CD1 3.85Å; L995-L999 HydrophobicContact CD1-CG 4.32Å; L995-L999 HydrophobicContact CG-CD1 3.85Å; L995-L999 PolarHBondContact O-N 3.46Å; L995-L999 VanDerWaalsContact O-N 3.09Å; L995-Y1004 HydrophobicContact CD2-CE2 4.11Å; L995-Y1004 HydrophobicContact CG-CE2 4.48Å |
| 996 | P | 85.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 179.1 | -21.2 | 33.7 | 0 | 0 | 0 | 112.7 | V993 M994 G1000 Y1004 | V993-P996 WeakPolarHBondContact O-CD 3.29Å; M994-P996 VanDerWaalsContact C-CD 3.46Å; P996-G1000 PolarHBondContact O-N 3.4Å; P996-Y1004 HydrophobicContact CB-CD1 3.72Å; P996-Y1004 HydrophobicContact CB-CE1 3.88Å; P996-Y1004 HydrophobicContact CB-CG 4.13Å; P996-Y1004 HydrophobicContact CG-CD1 3.97Å; P996-Y1004 HydrophobicContact CG-CE1 3.58Å; P996-Y1004 HydrophobicContact CG-CE2 4.34Å; P996-Y1004 HydrophobicContact CG-CG 4.47Å |
| 997 | D | 86.1 | Confident | 85.6 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 70% | 0.701 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.9 | -36.2 | -178.7 | -64.2 | -23.8 | 0 | 0 | 0 | 111.4 | M994 L995 | M994-D997 PolarHBondContact O-N 3.29Å; L995-D997 VanDerWaalsContact C-N 3.32Å; L995-D997 PolarHBondContact O-N 3.11Å |
| 998 | L | 84.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 177.9 | -67.2 | 172.9 | 0 | 0 | 0 | 113.1 | L844 N845 M990 M994 L995 | L844-L998 HydrophobicContact CB-CB 4.34Å; L844-L998 HydrophobicContact CB-CD1 4.37Å; L844-L998 HydrophobicContact CD1-CB 4.5Å; N845-L998 HydrophobicContact CB-CD1 4.48Å; M990-L998 HydrophobicContact CG-CD1 4.12Å; M994-L998 HydrophobicContact CB-CD1 4.17Å; M994-L998 WeakPolarHBondContact O-CG 3.49Å; M994-L998 PolarHBondContact O-N 3.04Å; M994-L998 VanDerWaalsContact O-N 3.1Å; L995-L998 PolarHBondContact O-N 3.17Å |
| 999 | L | 79.3 | Confident | 85.2 | Confident | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.6 | -30.2 | 178.8 | -75.9 | 169.2 | 0 | 0 | 0 | 113.5 | L844 K907 L995 Y1004 | L844-L999 HydrophobicContact CD1-CD1 4.42Å; L844-L999 HydrophobicContact CD1-CD2 3.75Å; L844-L999 HydrophobicContact CD1-CG 3.81Å; L844-L999 HydrophobicContact CD2-CD2 3.78Å; L844-L999 HydrophobicContact CD2-CG 4.44Å; L844-L999 HydrophobicContact CG-CD2 4.41Å; K907-L999 HydrophobicContact CB-CD2 4.47Å; L995-L999 HydrophobicContact CD1-CD1 3.85Å; L995-L999 HydrophobicContact CD1-CG 4.32Å; L995-L999 HydrophobicContact CG-CD1 3.85Å; L995-L999 PolarHBondContact O-N 3.46Å; L995-L999 VanDerWaalsContact O-N 3.09Å; L999-Y1004 HydrophobicContact CD1-CD2 4.01Å |
| 1000 | G | 78.9 | Confident | 84.9 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | trans | 86.7 | 140.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P996 D1002 K1003 Y1004 | P996-G1000 PolarHBondContact O-N 3.4Å; G1000-D1002 VanDerWaalsContact C-N 3.27Å; G1000-D1002 PolarHBondContact O-N 2.98Å; G1000-K1003 PolarHBondContact O-N 2.9Å; G1000-K1003 VanDerWaalsContact O-N 3.1Å; G1000-Y1004 PolarHBondContact O-N 3.03Å | ||
| 1001 | L | 76.1 | Confident | 84.7 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 58% | 0.581 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.7 | -171.6 | -66.3 | 175.5 | 0 | 0 | 0 | 113.9 | K1003 | L1001-K1003 VanDerWaalsContact C-N 3.27Å; L1001-K1003 PolarHBondContact O-N 3.36Å |
| 1002 | D | 67.1 | Low | 84.7 | Confident | 158 Ų | 158 | 53.1 Ų | 53.1 | 85% | 0.845 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24 | -179.6 | -58.1 | -33.2 | 0 | 0 | 0 | 112.7 | G1000 | G1000-D1002 VanDerWaalsContact C-N 3.27Å; G1000-D1002 PolarHBondContact O-N 2.98Å |
| 1003 | K | 72.4 | Confident | 84.6 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -24.5 | -176.1 | -63.3 | 179.1 | -175.4 | 174.8 | 0 | 112.6 | L891 G911 G1000 L1001 | L891-K1003 HydrophobicContact CD2-CD 4.11Å; G911-K1003 WeakPolarHBondContact CA-O 3.39Å; G1000-K1003 PolarHBondContact O-N 2.9Å; G1000-K1003 VanDerWaalsContact O-N 3.1Å; L1001-K1003 VanDerWaalsContact C-N 3.27Å; L1001-K1003 PolarHBondContact O-N 3.36Å |
| 1004 | Y | 82.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -77.4 | 121.8 | 178 | 177.2 | -115.5 | 0 | 0 | 0 | 111.1 | T917 L995 P996 L999 G1000 P1006 P1007 E1034 | T917-Y1004 HydrophobicContact CG2-CE2 4.07Å; L995-Y1004 HydrophobicContact CD2-CE2 4.11Å; L995-Y1004 HydrophobicContact CG-CE2 4.48Å; P996-Y1004 HydrophobicContact CB-CD1 3.72Å; P996-Y1004 HydrophobicContact CB-CE1 3.88Å; P996-Y1004 HydrophobicContact CB-CG 4.13Å; P996-Y1004 HydrophobicContact CG-CD1 3.97Å; P996-Y1004 HydrophobicContact CG-CE1 3.58Å; P996-Y1004 HydrophobicContact CG-CE2 4.34Å; P996-Y1004 HydrophobicContact CG-CG 4.47Å; L999-Y1004 HydrophobicContact CD1-CD2 4.01Å; G1000-Y1004 PolarHBondContact O-N 3.03Å; Y1004-P1006 HydrophobicContact CD1-CB 4.28Å; Y1004-P1006 HydrophobicContact CE1-CB 3.78Å; Y1004-P1006 WeakPolarHBondContact O-CD 3.44Å; Y1004-P1007 WeakPolarHBondContact OH-CD 3.45Å; Y1004-E1034 PolarHBondContact OH-OE1 2.76Å | ||
| 1005 | R | 85.4 | Confident | 84.5 | Confident | 131 Ų | 131 | 48.6 Ų | 48.6 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | trans | -94 | 108.9 | 171.2 | -65 | -58.7 | -174.3 | 179.2 | 1.3 | 109 | Y910 G911 R914 T917 | Y910-R1005 PolarHBondContact O-N 3.41Å; G911-R1005 WeakPolarHBondContact O-CG 3.49Å; R914-R1005 HydrophobicContact CG-CB 4.24Å; T917-R1005 WeakPolarHBondContact CB-O 3.22Å; T917-R1005 VanDerWaalsContact CG2-O 3.24Å; T917-R1005 WeakPolarHBondContact CG2-O 3.48Å; T917-R1005 PolarHBondContact OG1-O 3.34Å | ||
| 1006 | P | 87.4 | Confident | 84.6 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | trans | -73.2 | 150 | -171.2 | 31.2 | -37 | 0 | 0 | 0 | 112.3 | R914 Y1004 | R914-P1006 WeakPolarHBondContact CB-O 3.23Å; R914-P1006 WeakPolarHBondContact CG-O 3.45Å; R914-P1006 PolarHBondContact NE-O 2.56Å; Y1004-P1006 HydrophobicContact CD1-CB 4.28Å; Y1004-P1006 HydrophobicContact CE1-CB 3.78Å; Y1004-P1006 WeakPolarHBondContact O-CD 3.44Å | ||
| 1007 | P | 91 | Very high | 84.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -59.7 | 156.5 | -178 | 29.1 | -38.9 | 0 | 0 | 0 | 112 | R914 T918 L921 Y1004 L1009 L1012 E1034 | R914-P1007 PolarHBondContact NH2-O 3.24Å; T918-P1007 HydrophobicContact CG2-CB 4.07Å; T918-P1007 WeakPolarHBondContact OG1-CA 3.41Å; T918-P1007 VanDerWaalsContact OG1-CB 3.23Å; T918-P1007 WeakPolarHBondContact OG1-CB 3.24Å; L921-P1007 HydrophobicContact CD1-CG 4.42Å; Y1004-P1007 WeakPolarHBondContact OH-CD 3.45Å; P1007-L1009 PolarHBondContact O-N 2.96Å; P1007-L1012 HydrophobicContact CB-CD1 4.07Å; P1007-L1012 HydrophobicContact CB-CG 4.49Å; P1007-L1012 HydrophobicContact CG-CD1 4.04Å; P1007-E1034 VanDerWaalsContact CD-OE1 3.27Å; P1007-E1034 WeakPolarHBondContact CD-OE1 3.22Å; P1007-E1034 HydrophobicContact CG-CG 3.52Å | ||
| 1008 | L | 88.8 | Confident | 84.5 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | trans | -80.1 | 114.1 | 178.3 | -70.4 | 171.9 | 0 | 0 | 0 | 109 | R914 A915 T918 E1010 M1011 L1012 | R914-L1008 HydrophobicContact CB-CD1 4.35Å; R914-L1008 HydrophobicContact CB-CD2 3.82Å; R914-L1008 HydrophobicContact CB-CG 3.7Å; A915-L1008 HydrophobicContact CB-CD1 4.02Å; T918-L1008 PolarHBondContact OG1-N 3.42Å; L1008-E1010 HydrophobicContact CB-CG 4.16Å; L1008-E1010 PolarHBondContact O-N 3.12Å; L1008-M1011 HydrophobicContact CB-CB 4.09Å; L1008-M1011 HydrophobicContact CB-CG 3.96Å; L1008-M1011 HydrophobicContact CB-SD 4.18Å; L1008-M1011 HydrophobicContact CD1-CG 4.21Å; L1008-M1011 HydrophobicContact CD1-SD 3.67Å; L1008-M1011 HydrophobicContact CG-SD 4.47Å; L1008-M1011 PolarHBondContact O-N 3.49Å; L1008-L1012 PolarHBondContact O-N 2.89Å; L1008-L1012 VanDerWaalsContact O-N 3.12Å | ||
| 1009 | L | 91 | Very high | 84.5 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.8 | -37.7 | 178.4 | -56.8 | -179.3 | 0 | 0 | 0 | 111.4 | P1007 M1011 L1012 A1013 L1031 E1034 L1035 I1038 T1046 L1130 | P1007-L1009 PolarHBondContact O-N 2.96Å; L1009-M1011 PolarHBondContact O-N 2.96Å; L1009-L1012 PolarHBondContact O-N 3.27Å; L1009-A1013 WeakPolarHBondContact O-CB 3.24Å; L1009-A1013 PolarHBondContact O-N 3.39Å; L1009-L1031 HydrophobicContact CB-CD1 4.22Å; L1009-L1031 HydrophobicContact CD2-CD1 3.74Å; L1009-E1034 HydrophobicContact CD2-CB 4.08Å; L1009-L1035 HydrophobicContact CD1-CD2 4.24Å; L1009-I1038 HydrophobicContact CD1-CD1 4.25Å; L1009-T1046 HydrophobicContact CD1-CG2 3.96Å; L1009-L1130 HydrophobicContact CB-CD2 3.89Å |
| 1010 | E | 87.8 | Confident | 84.9 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 176.3 | 55.8 | 146.7 | -130.5 | 0 | 0 | 113.8 | R100 L1008 R1014 W1050 T1126 | R100-E1010 IonicContact NH1-OE1 3.54Å; L1008-E1010 HydrophobicContact CB-CG 4.16Å; L1008-E1010 PolarHBondContact O-N 3.12Å; E1010-R1014 VanDerWaalsContact O-CG 3.24Å; E1010-R1014 WeakPolarHBondContact O-CG 3.26Å; E1010-R1014 PolarHBondContact O-N 3.38Å; E1010-R1014 IonicContact OE1-CZ 2.72Å; E1010-R1014 IonicContact OE1-NH1 3.67Å; E1010-R1014 PolarHBondContact OE1-NH1 3.4Å; E1010-R1014 IonicContact OE1-NH2 2.94Å; E1010-R1014 IonicContact OE2-CZ 3.15Å; E1010-R1014 IonicContact OE2-NH1 2.82Å; E1010-R1014 IonicContact OE2-NH2 3.57Å; E1010-R1014 PolarHBondContact OE2-NH2 2.96Å; E1010-W1050 HydrophobicContact CB-CH2 3.9Å; E1010-W1050 HydrophobicContact CB-CZ2 3.68Å; E1010-W1050 HydrophobicContact CG-CZ2 4.46Å; E1010-T1126 HydrophobicContact CB-CG2 3.97Å |
| 1011 | M | 87.6 | Confident | 85.4 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 177.9 | -73.7 | -174.8 | 67.9 | 0 | 0 | 110.8 | A915 T918 Q919 L1008 L1009 R1014 R1015 | A915-M1011 HydrophobicContact CB-SD 4.24Å; T918-M1011 HydrophobicContact CG2-CB 3.81Å; T918-M1011 HydrophobicContact CG2-CE 4.44Å; T918-M1011 HydrophobicContact CG2-SD 4.48Å; Q919-M1011 HydrophobicContact CG-CE 3.89Å; L1008-M1011 HydrophobicContact CB-CB 4.09Å; L1008-M1011 HydrophobicContact CB-CG 3.96Å; L1008-M1011 HydrophobicContact CB-SD 4.18Å; L1008-M1011 HydrophobicContact CD1-CG 4.21Å; L1008-M1011 HydrophobicContact CD1-SD 3.67Å; L1008-M1011 HydrophobicContact CG-SD 4.47Å; L1008-M1011 PolarHBondContact O-N 3.49Å; L1009-M1011 PolarHBondContact O-N 2.96Å; M1011-R1014 PolarHBondContact O-N 3.5Å; M1011-R1015 WeakPolarHBondContact O-CG 3.33Å; M1011-R1015 PolarHBondContact O-N 3.38Å |
| 1012 | L | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.2 | -63.4 | 176.7 | 0 | 0 | 0 | 111.5 | T918 L922 P1007 L1008 L1009 R1014 R1015 W1016 L1030 L1031 | T918-L1012 HydrophobicContact CG2-CD2 3.75Å; T918-L1012 HydrophobicContact CG2-CG 4.09Å; L922-L1012 HydrophobicContact CD1-CD2 4.3Å; L922-L1012 HydrophobicContact CD2-CD2 3.95Å; L922-L1012 HydrophobicContact CG-CD2 4.13Å; P1007-L1012 HydrophobicContact CB-CD1 4.07Å; P1007-L1012 HydrophobicContact CB-CG 4.49Å; P1007-L1012 HydrophobicContact CG-CD1 4.04Å; L1008-L1012 PolarHBondContact O-N 2.89Å; L1008-L1012 VanDerWaalsContact O-N 3.12Å; L1009-L1012 PolarHBondContact O-N 3.27Å; L1012-R1014 PolarHBondContact O-N 3.13Å; L1012-R1015 CarbonylContact O-C 3.48Å; L1012-R1015 WeakPolarHBondContact O-CA 3.49Å; L1012-R1015 PolarHBondContact O-N 2.86Å; L1012-W1016 PolarHBondContact O-N 3.28Å; L1012-L1030 HydrophobicContact CD1-CB 3.98Å; L1012-L1030 HydrophobicContact CD2-CB 3.93Å; L1012-L1030 HydrophobicContact CD2-CD1 3.97Å; L1012-L1031 HydrophobicContact CB-CB 4.13Å; L1012-L1031 HydrophobicContact CB-CD1 4.22Å; L1012-L1031 HydrophobicContact CD1-CB 4.21Å; L1012-L1031 HydrophobicContact CD1-CD1 4.37Å |
| 1013 | A | 89.1 | Confident | 87.3 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1009 R1015 W1016 T1126 V1129 L1130 | L1009-A1013 WeakPolarHBondContact O-CB 3.24Å; L1009-A1013 PolarHBondContact O-N 3.39Å; A1013-R1015 PolarHBondContact O-N 3.5Å; A1013-W1016 VanDerWaalsContact O-CB 3.22Å; A1013-W1016 WeakPolarHBondContact O-CB 3.46Å; A1013-W1016 PolarHBondContact O-N 3.4Å; A1013-W1016 VanDerWaalsContact O-N 3.11Å; A1013-T1126 HydrophobicContact CB-CG2 3.94Å; A1013-V1129 HydrophobicContact CB-CB 4.29Å; A1013-V1129 HydrophobicContact CB-CG1 3.92Å; A1013-L1130 HydrophobicContact CB-CD1 4.28Å; A1013-L1130 HydrophobicContact CB-CD2 3.67Å; A1013-L1130 HydrophobicContact CB-CG 3.56Å |
| 1014 | R | 86.9 | Confident | 88.3 | Confident | 69 Ų | 69 | 47 Ų | 47 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -26.7 | 172 | -74 | 171.4 | -170.6 | 140.7 | 10.1 | 112.7 | E1010 M1011 L1012 | E1010-R1014 VanDerWaalsContact O-CG 3.24Å; E1010-R1014 WeakPolarHBondContact O-CG 3.26Å; E1010-R1014 PolarHBondContact O-N 3.38Å; E1010-R1014 IonicContact OE1-CZ 2.72Å; E1010-R1014 IonicContact OE1-NH1 3.67Å; E1010-R1014 PolarHBondContact OE1-NH1 3.4Å; E1010-R1014 IonicContact OE1-NH2 2.94Å; E1010-R1014 IonicContact OE2-CZ 3.15Å; E1010-R1014 IonicContact OE2-NH1 2.82Å; E1010-R1014 IonicContact OE2-NH2 3.57Å; E1010-R1014 PolarHBondContact OE2-NH2 2.96Å; M1011-R1014 PolarHBondContact O-N 3.5Å; L1012-R1014 PolarHBondContact O-N 3.13Å |
| 1015 | R | 89.3 | Confident | 88.8 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 2.5 | 179 | -60 | -65.3 | 178.5 | 175.5 | -0.9 | 113.7 | N4 N5 E741 L922 M1011 L1012 A1013 Q1017 D1018 A1027 | N4-R1015 VanDerWaalsContact C-NH2 3.33Å; N4-R1015 PolarHBondContact O-NH1 3.03Å; N4-R1015 PolarHBondContact O-NH2 3.42Å; N5-R1015 PolarHBondContact O-NH2 3.46Å; E741-R1015 IonicContact OE1-NH1 2.64Å; E741-R1015 PolarHBondContact OE1-NH1 2.93Å; L922-R1015 HydrophobicContact CD1-CG 4.19Å; M1011-R1015 WeakPolarHBondContact O-CG 3.33Å; M1011-R1015 PolarHBondContact O-N 3.38Å; L1012-R1015 CarbonylContact O-C 3.48Å; L1012-R1015 WeakPolarHBondContact O-CA 3.49Å; L1012-R1015 PolarHBondContact O-N 2.86Å; A1013-R1015 PolarHBondContact O-N 3.5Å; R1015-Q1017 PolarHBondContact O-N 3.47Å; R1015-D1018 WeakPolarHBondContact CD-OD2 3.29Å; R1015-D1018 IonicContact CZ-OD2 3.37Å; R1015-D1018 IonicContact NE-OD2 2.73Å; R1015-D1018 IonicContact NH1-OD2 2.82Å; R1015-D1018 PolarHBondContact NH1-OD2 3.38Å; R1015-D1018 WeakPolarHBondContact O-CB 3.33Å; R1015-D1018 PolarHBondContact O-N 3.48Å; R1015-A1027 HydrophobicContact CB-CB 3.62Å |
| 1016 | W | 87.5 | Confident | 89.3 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.2 | -178.2 | -174.5 | -84.5 | 0 | 0 | 0 | 113.5 | L1012 A1013 R1024 Q1028 L1031 L1032 V1129 V1133 | L1012-W1016 PolarHBondContact O-N 3.28Å; A1013-W1016 VanDerWaalsContact O-CB 3.22Å; A1013-W1016 WeakPolarHBondContact O-CB 3.46Å; A1013-W1016 PolarHBondContact O-N 3.4Å; A1013-W1016 VanDerWaalsContact O-N 3.11Å; W1016-R1024 VanDerWaalsContact O-CG 3.23Å; W1016-R1024 WeakPolarHBondContact O-CG 3.46Å; W1016-Q1028 HydrophobicContact CD2-CG 3.65Å; W1016-Q1028 HydrophobicContact CE3-CB 4.14Å; W1016-Q1028 HydrophobicContact CE3-CG 3.63Å; W1016-Q1028 HydrophobicContact CG-CG 4.28Å; W1016-Q1028 HydrophobicContact CH2-CB 4.09Å; W1016-Q1028 HydrophobicContact CH2-CG 3.95Å; W1016-Q1028 HydrophobicContact CZ2-CG 3.95Å; W1016-Q1028 VanDerWaalsContact CZ3-CA 3.48Å; W1016-Q1028 HydrophobicContact CZ3-CB 3.87Å; W1016-Q1028 HydrophobicContact CZ3-CG 3.78Å; W1016-Q1028 PolarHBondContact O-NE2 3.44Å; W1016-Q1028 VanDerWaalsContact O-NE2 3.13Å; W1016-L1031 HydrophobicContact CD2-CD2 4.39Å; W1016-L1031 HydrophobicContact CE3-CB 4.16Å; W1016-L1031 HydrophobicContact CE3-CD2 3.36Å; W1016-L1031 HydrophobicContact CE3-CG 4.3Å; W1016-L1031 HydrophobicContact CZ3-CB 3.9Å; W1016-L1031 HydrophobicContact CZ3-CD2 3.49Å; W1016-L1031 VanDerWaalsContact CZ3-CD2 3.49Å; W1016-L1031 HydrophobicContact CZ3-CG 4.08Å; W1016-L1032 HydrophobicContact CH2-CD2 4.43Å; W1016-L1032 HydrophobicContact CH2-CG 4.3Å; W1016-V1129 HydrophobicContact CB-CG1 3.56Å; W1016-V1129 HydrophobicContact CD2-CG1 4.08Å; W1016-V1129 HydrophobicContact CG-CG1 3.55Å; W1016-V1133 HydrophobicContact CD2-CG2 4.1Å; W1016-V1133 HydrophobicContact CE3-CG2 4.16Å; W1016-V1133 HydrophobicContact CH2-CB 4.44Å; W1016-V1133 HydrophobicContact CH2-CG1 3.93Å; W1016-V1133 HydrophobicContact CH2-CG2 3.55Å; W1016-V1133 HydrophobicContact CZ2-CG2 3.47Å; W1016-V1133 VanDerWaalsContact CZ2-CG2 3.47Å; W1016-V1133 HydrophobicContact CZ3-CG1 4.25Å; W1016-V1133 HydrophobicContact CZ3-CG2 3.89Å |
| 1017 | Q | 84 | Confident | 89.6 | Confident | 122 Ų | 122 | 43.2 Ų | 43.2 | 57% | 0.57 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 34.2 | 175.7 | -59.8 | -170.3 | -45.9 | 0 | 0 | 111.2 | R1015 | R1015-Q1017 PolarHBondContact O-N 3.47Š|
| 1018 | D | 85.3 | Confident | 89.7 | Confident | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | trans | -57.3 | 150.6 | 178.4 | -155.9 | -75.8 | 0 | 0 | 0 | 111.9 | R1015 C1020 V1023 R1024 | R1015-D1018 WeakPolarHBondContact CD-OD2 3.29Å; R1015-D1018 IonicContact CZ-OD2 3.37Å; R1015-D1018 IonicContact NE-OD2 2.73Å; R1015-D1018 IonicContact NH1-OD2 2.82Å; R1015-D1018 PolarHBondContact NH1-OD2 3.38Å; R1015-D1018 WeakPolarHBondContact O-CB 3.33Å; R1015-D1018 PolarHBondContact O-N 3.48Å; D1018-C1020 PolarHBondContact OD1-N 3.16Å; D1018-V1023 HydrophobicContact CB-CG1 4.24Å; D1018-R1024 HydrophobicContact CB-CB 4.02Å | ||
| 1019 | R | 85.4 | Confident | 90 | Very high | 195 Ų | 195 | 46.7 Ų | 46.7 | 74% | 0.736 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -71.7 | -34.4 | 178.4 | -65.1 | -179.9 | 179.5 | -178.4 | -0.5 | 111.1 | ||
| 1020 | C | 86.5 | Confident | 90.2 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.088 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -79 | 120 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | E741 D1018 E1022 V1023 R1024 | E741-C1020 HydrophobicContact CG-CB 3.96Å; D1018-C1020 PolarHBondContact OD1-N 3.16Å; C1020-E1022 VanDerWaalsContact C-N 3.33Å; C1020-E1022 PolarHBondContact O-N 3.3Å; C1020-E1022 PolarHBondContact SG-OE2 3.38Å; C1020-V1023 HydrophobicContact CB-CB 4.08Å; C1020-V1023 HydrophobicContact CB-CG2 4.04Å; C1020-V1023 PolarHBondContact O-N 2.87Å; C1020-R1024 WeakPolarHBondContact O-CB 3.4Å; C1020-R1024 PolarHBondContact O-N 3.21Å |
| 1021 | L | 89.4 | Confident | 90.5 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 38% | 0.377 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.2 | -45.6 | -175.5 | 174.4 | 63.4 | 0 | 0 | 0 | 111.6 | R1024 E1025 | L1021-R1024 WeakPolarHBondContact O-CB 3.29Å; L1021-R1024 PolarHBondContact O-N 3.46Å; L1021-E1025 HydrophobicContact CD1-CG 4.15Å; L1021-E1025 WeakPolarHBondContact O-CG 3.22Å; L1021-E1025 PolarHBondContact O-N 3.21Å |
| 1022 | E | 91.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | -174 | -63.1 | 83 | 177.8 | 0 | 0 | 111.7 | I744 S926 T930 C1020 A1026 | I744-E1022 HydrophobicContact CD1-CB 4.18Å; I744-E1022 HydrophobicContact CG2-CG 4.45Å; S926-E1022 WeakPolarHBondContact CB-O 3.45Å; T930-E1022 WeakPolarHBondContact OG1-CG 3.47Å; C1020-E1022 VanDerWaalsContact C-N 3.33Å; C1020-E1022 PolarHBondContact O-N 3.3Å; C1020-E1022 PolarHBondContact SG-OE2 3.38Å; E1022-A1026 WeakPolarHBondContact O-CB 3.45Å; E1022-A1026 PolarHBondContact O-N 3.39Å; E1022-A1026 VanDerWaalsContact O-N 3.12Å |
| 1023 | V | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L6 E741 I744 D1018 C1020 A1026 A1027 | L6-V1023 HydrophobicContact CD2-CG1 4.43Å; L6-V1023 HydrophobicContact CD2-CG2 4.44Å; E741-V1023 HydrophobicContact CG-CG2 4.25Å; I744-V1023 HydrophobicContact CD1-CG2 4.14Å; D1018-V1023 HydrophobicContact CB-CG1 4.24Å; C1020-V1023 HydrophobicContact CB-CB 4.08Å; C1020-V1023 HydrophobicContact CB-CG2 4.04Å; C1020-V1023 PolarHBondContact O-N 2.87Å; V1023-A1026 PolarHBondContact O-N 2.91Å; V1023-A1027 WeakPolarHBondContact O-CB 3.44Å; V1023-A1027 PolarHBondContact O-N 3.45Å |
| 1024 | R | 93.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 45 Ų | 45 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 177 | -175.8 | -179.9 | 67 | 176.1 | 5.8 | 111.9 | W1016 D1018 C1020 L1021 A1026 A1027 Q1028 | W1016-R1024 VanDerWaalsContact O-CG 3.23Å; W1016-R1024 WeakPolarHBondContact O-CG 3.46Å; D1018-R1024 HydrophobicContact CB-CB 4.02Å; C1020-R1024 WeakPolarHBondContact O-CB 3.4Å; C1020-R1024 PolarHBondContact O-N 3.21Å; L1021-R1024 WeakPolarHBondContact O-CB 3.29Å; L1021-R1024 PolarHBondContact O-N 3.46Å; R1024-A1026 VanDerWaalsContact C-N 3.35Å; R1024-A1026 PolarHBondContact O-N 3.46Å; R1024-A1027 PolarHBondContact O-N 2.95Å; R1024-Q1028 VanDerWaalsContact O-CG 3.29Å; R1024-Q1028 WeakPolarHBondContact O-CG 3.22Å; R1024-Q1028 PolarHBondContact O-N 3.48Å |
| 1025 | E | 93.4 | Very high | 91 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 179 | -73.7 | -179.5 | 173.5 | 0 | 0 | 111.8 | L1021 Q1028 A1029 | L1021-E1025 HydrophobicContact CD1-CG 4.15Å; L1021-E1025 WeakPolarHBondContact O-CG 3.22Å; L1021-E1025 PolarHBondContact O-N 3.21Å; E1025-Q1028 PolarHBondContact O-N 3.03Å; E1025-A1029 WeakPolarHBondContact O-CB 3.46Å; E1025-A1029 PolarHBondContact O-N 3.04Å |
| 1026 | A | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L922 I925 E1022 V1023 R1024 Q1028 A1029 L1030 | L922-A1026 HydrophobicContact CD2-CB 4.29Å; I925-A1026 HydrophobicContact CB-CB 3.95Å; I925-A1026 HydrophobicContact CG2-CB 3.65Å; E1022-A1026 WeakPolarHBondContact O-CB 3.45Å; E1022-A1026 PolarHBondContact O-N 3.39Å; E1022-A1026 VanDerWaalsContact O-N 3.12Å; V1023-A1026 PolarHBondContact O-N 2.91Å; R1024-A1026 VanDerWaalsContact C-N 3.35Å; R1024-A1026 PolarHBondContact O-N 3.46Å; A1026-Q1028 PolarHBondContact O-N 3.33Å; A1026-A1029 PolarHBondContact O-N 3.08Å; A1026-L1030 WeakPolarHBondContact O-CB 3.37Å; A1026-L1030 VanDerWaalsContact O-CG 3.3Å; A1026-L1030 WeakPolarHBondContact O-CG 3.29Å; A1026-L1030 PolarHBondContact O-N 2.98Å |
| 1027 | A | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L922 R1015 V1023 R1024 L1031 | L922-A1027 HydrophobicContact CD2-CB 3.67Å; R1015-A1027 HydrophobicContact CB-CB 3.62Å; V1023-A1027 WeakPolarHBondContact O-CB 3.44Å; V1023-A1027 PolarHBondContact O-N 3.45Å; R1024-A1027 PolarHBondContact O-N 2.95Å; A1027-L1031 VanDerWaalsContact O-CB 3.29Å; A1027-L1031 WeakPolarHBondContact O-CB 3.47Å; A1027-L1031 PolarHBondContact O-N 3.31Å |
| 1028 | Q | 94.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.6 | -71.5 | 176.1 | -3.3 | 0 | 0 | 111.8 | W1016 R1024 E1025 A1026 L1031 L1032 | W1016-Q1028 HydrophobicContact CD2-CG 3.65Å; W1016-Q1028 HydrophobicContact CE3-CB 4.14Å; W1016-Q1028 HydrophobicContact CE3-CG 3.63Å; W1016-Q1028 HydrophobicContact CG-CG 4.28Å; W1016-Q1028 HydrophobicContact CH2-CB 4.09Å; W1016-Q1028 HydrophobicContact CH2-CG 3.95Å; W1016-Q1028 HydrophobicContact CZ2-CG 3.95Å; W1016-Q1028 VanDerWaalsContact CZ3-CA 3.48Å; W1016-Q1028 HydrophobicContact CZ3-CB 3.87Å; W1016-Q1028 HydrophobicContact CZ3-CG 3.78Å; W1016-Q1028 PolarHBondContact O-NE2 3.44Å; W1016-Q1028 VanDerWaalsContact O-NE2 3.13Å; R1024-Q1028 VanDerWaalsContact O-CG 3.29Å; R1024-Q1028 WeakPolarHBondContact O-CG 3.22Å; R1024-Q1028 PolarHBondContact O-N 3.48Å; E1025-Q1028 PolarHBondContact O-N 3.03Å; A1026-Q1028 PolarHBondContact O-N 3.33Å; Q1028-L1031 PolarHBondContact O-N 3.5Å; Q1028-L1032 WeakPolarHBondContact O-CG 3.37Å; Q1028-L1032 PolarHBondContact O-N 3Å; Q1028-L1032 VanDerWaalsContact O-N 3.08Å |
| 1029 | A | 93.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1025 A1026 L1032 A1033 | E1025-A1029 WeakPolarHBondContact O-CB 3.46Å; E1025-A1029 PolarHBondContact O-N 3.04Å; A1026-A1029 PolarHBondContact O-N 3.08Å; A1029-L1032 PolarHBondContact O-N 2.67Å; A1029-A1033 WeakPolarHBondContact O-CB 3.23Å; A1029-A1033 PolarHBondContact O-N 3.03Å |
| 1030 | L | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.8 | -75.8 | 171.3 | 0 | 0 | 0 | 112.3 | L921 L922 I925 L1012 A1026 L1032 A1033 E1034 | L921-L1030 HydrophobicContact CB-CD1 3.71Å; L921-L1030 HydrophobicContact CB-CD2 4.16Å; L921-L1030 HydrophobicContact CD1-CD2 4.03Å; L922-L1030 HydrophobicContact CD2-CD1 3.99Å; L922-L1030 HydrophobicContact CG-CD1 4.21Å; I925-L1030 HydrophobicContact CD1-CD1 3.98Å; I925-L1030 HydrophobicContact CD1-CD2 3.65Å; I925-L1030 HydrophobicContact CD1-CG 3.8Å; L1012-L1030 HydrophobicContact CD1-CB 3.98Å; L1012-L1030 HydrophobicContact CD2-CB 3.93Å; L1012-L1030 HydrophobicContact CD2-CD1 3.97Å; A1026-L1030 WeakPolarHBondContact O-CB 3.37Å; A1026-L1030 VanDerWaalsContact O-CG 3.3Å; A1026-L1030 WeakPolarHBondContact O-CG 3.29Å; A1026-L1030 PolarHBondContact O-N 2.98Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1030-L1032 PolarHBondContact O-N 3.09Å; L1030-A1033 PolarHBondContact O-N 2.85Å; L1030-E1034 WeakPolarHBondContact O-CB 3.28Å; L1030-E1034 WeakPolarHBondContact O-CG 3.31Å; L1030-E1034 PolarHBondContact O-N 3.36Å |
| 1031 | L | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | -179.3 | -178.7 | 63.7 | 0 | 0 | 0 | 110.7 | L1009 L1012 W1016 A1027 Q1028 E1034 L1035 L1130 V1133 | L1009-L1031 HydrophobicContact CB-CD1 4.22Å; L1009-L1031 HydrophobicContact CD2-CD1 3.74Å; L1012-L1031 HydrophobicContact CB-CB 4.13Å; L1012-L1031 HydrophobicContact CB-CD1 4.22Å; L1012-L1031 HydrophobicContact CD1-CB 4.21Å; L1012-L1031 HydrophobicContact CD1-CD1 4.37Å; W1016-L1031 HydrophobicContact CD2-CD2 4.39Å; W1016-L1031 HydrophobicContact CE3-CB 4.16Å; W1016-L1031 HydrophobicContact CE3-CD2 3.36Å; W1016-L1031 HydrophobicContact CE3-CG 4.3Å; W1016-L1031 HydrophobicContact CZ3-CB 3.9Å; W1016-L1031 HydrophobicContact CZ3-CD2 3.49Å; W1016-L1031 VanDerWaalsContact CZ3-CD2 3.49Å; W1016-L1031 HydrophobicContact CZ3-CG 4.08Å; A1027-L1031 VanDerWaalsContact O-CB 3.29Å; A1027-L1031 WeakPolarHBondContact O-CB 3.47Å; A1027-L1031 PolarHBondContact O-N 3.31Å; Q1028-L1031 PolarHBondContact O-N 3.5Å; L1031-E1034 PolarHBondContact O-N 3.01Å; L1031-L1035 HydrophobicContact CD1-CD1 4.2Å; L1031-L1035 HydrophobicContact CD1-CG 4.18Å; L1031-L1035 HydrophobicContact CG-CD1 3.97Å; L1031-L1035 HydrophobicContact CG-CG 4.37Å; L1031-L1035 WeakPolarHBondContact O-CB 3.46Å; L1031-L1035 WeakPolarHBondContact O-CG 3.49Å; L1031-L1035 PolarHBondContact O-N 2.99Å; L1031-L1130 HydrophobicContact CD1-CD2 3.93Å; L1031-L1130 HydrophobicContact CD2-CD2 4.28Å; L1031-V1133 HydrophobicContact CD2-CG1 4.42Å; L1031-V1133 HydrophobicContact CD2-CG2 4.36Å |
| 1032 | L | 92.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.1 | -68.5 | 174.9 | 0 | 0 | 0 | 112.3 | W1016 Q1028 A1029 L1030 E1034 R1036 V1133 E1137 | W1016-L1032 HydrophobicContact CH2-CD2 4.43Å; W1016-L1032 HydrophobicContact CH2-CG 4.3Å; Q1028-L1032 WeakPolarHBondContact O-CG 3.37Å; Q1028-L1032 PolarHBondContact O-N 3Å; Q1028-L1032 VanDerWaalsContact O-N 3.08Å; A1029-L1032 PolarHBondContact O-N 2.67Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1030-L1032 PolarHBondContact O-N 3.09Å; L1032-E1034 VanDerWaalsContact C-N 3.33Å; L1032-E1034 PolarHBondContact O-N 3.28Å; L1032-R1036 VanDerWaalsContact O-CG 3.3Å; L1032-R1036 WeakPolarHBondContact O-CG 3.22Å; L1032-R1036 PolarHBondContact O-N 3.18Å; L1032-V1133 HydrophobicContact CD2-CG1 3.81Å; L1032-E1137 HydrophobicContact CD2-CG 3.78Å |
| 1033 | A | 91.9 | Very high | 91.1 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1029 L1030 R1036 R1037 | A1029-A1033 WeakPolarHBondContact O-CB 3.23Å; A1029-A1033 PolarHBondContact O-N 3.03Å; L1030-A1033 PolarHBondContact O-N 2.85Å; A1033-R1036 PolarHBondContact O-N 3.47Å; A1033-R1037 PolarHBondContact O-N 3.45Å |
| 1034 | E | 91.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.8 | -38.6 | -178.8 | -70.8 | -72.5 | 164.5 | 0 | 0 | 112.8 | Y1004 P1007 L1009 L1030 L1031 L1032 R1036 R1037 I1038 | Y1004-E1034 PolarHBondContact OH-OE1 2.76Å; P1007-E1034 VanDerWaalsContact CD-OE1 3.27Å; P1007-E1034 WeakPolarHBondContact CD-OE1 3.22Å; P1007-E1034 HydrophobicContact CG-CG 3.52Å; L1009-E1034 HydrophobicContact CD2-CB 4.08Å; L1030-E1034 WeakPolarHBondContact O-CB 3.28Å; L1030-E1034 WeakPolarHBondContact O-CG 3.31Å; L1030-E1034 PolarHBondContact O-N 3.36Å; L1031-E1034 PolarHBondContact O-N 3.01Å; L1032-E1034 VanDerWaalsContact C-N 3.33Å; L1032-E1034 PolarHBondContact O-N 3.28Å; E1034-R1036 VanDerWaalsContact C-N 3.27Å; E1034-R1036 PolarHBondContact O-N 3.22Å; E1034-R1037 WeakPolarHBondContact O-CB 3.48Å; E1034-R1037 PolarHBondContact O-N 3.05Å; E1034-R1037 VanDerWaalsContact O-N 3.09Å; E1034-R1037 IonicContact OE1-NE 3.72Å; E1034-R1037 IonicContact OE2-CZ 2.81Å; E1034-R1037 IonicContact OE2-NE 3.84Å; E1034-R1037 PolarHBondContact OE2-NE 3.44Å; E1034-R1037 IonicContact OE2-NH2 2.55Å; E1034-R1037 PolarHBondContact OE2-NH2 3Å; E1034-I1038 WeakPolarHBondContact O-CG2 3.5Å; E1034-I1038 PolarHBondContact O-N 3.39Å |
| 1035 | L | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 172.6 | -73.9 | 176.2 | 0 | 0 | 0 | 111.9 | L1009 L1031 I1038 R1043 V1133 I1134 F1138 | L1009-L1035 HydrophobicContact CD1-CD2 4.24Å; L1031-L1035 HydrophobicContact CD1-CD1 4.2Å; L1031-L1035 HydrophobicContact CD1-CG 4.18Å; L1031-L1035 HydrophobicContact CG-CD1 3.97Å; L1031-L1035 HydrophobicContact CG-CG 4.37Å; L1031-L1035 WeakPolarHBondContact O-CB 3.46Å; L1031-L1035 WeakPolarHBondContact O-CG 3.49Å; L1031-L1035 PolarHBondContact O-N 2.99Å; L1035-I1038 HydrophobicContact CD2-CD1 3.92Å; L1035-I1038 WeakPolarHBondContact O-CG1 3.49Å; L1035-R1043 HydrophobicContact CD2-CG 4.37Å; L1035-R1043 PolarHBondContact O-NH1 3.28Å; L1035-V1133 HydrophobicContact CD1-CG1 3.75Å; L1035-I1134 HydrophobicContact CD1-CG1 3.93Å; L1035-I1134 HydrophobicContact CD2-CD1 3.98Å; L1035-I1134 HydrophobicContact CD2-CG1 3.87Å; L1035-F1138 HydrophobicContact CB-CE2 3.74Å; L1035-F1138 HydrophobicContact CB-CZ 4.07Å; L1035-F1138 HydrophobicContact CD1-CE2 4.23Å |
| 1036 | R | 90.4 | Very high | 90.1 | Very high | 150 Ų | 150 | 44.2 Ų | 44.2 | 57% | 0.566 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.7 | -43.8 | 171.3 | -71.8 | 174.4 | -174 | 156.2 | 4.1 | 111 | L1032 A1033 E1034 G1039 F1138 | L1032-R1036 VanDerWaalsContact O-CG 3.3Å; L1032-R1036 WeakPolarHBondContact O-CG 3.22Å; L1032-R1036 PolarHBondContact O-N 3.18Å; A1033-R1036 PolarHBondContact O-N 3.47Å; E1034-R1036 VanDerWaalsContact C-N 3.27Å; E1034-R1036 PolarHBondContact O-N 3.22Å; R1036-G1039 PolarHBondContact O-N 2.94Å; R1036-F1138 HydrophobicContact CG-CE1 3.89Å; R1036-F1138 HydrophobicContact CG-CZ 3.7Å |
| 1037 | R | 88.3 | Confident | 89.7 | Confident | 91 Ų | 91 | 44.4 Ų | 44.4 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -41.3 | -176.2 | -166.4 | -179.1 | 67.2 | 85.9 | 21.2 | 114.1 | A1033 E1034 G1039 | A1033-R1037 PolarHBondContact O-N 3.45Å; E1034-R1037 WeakPolarHBondContact O-CB 3.48Å; E1034-R1037 PolarHBondContact O-N 3.05Å; E1034-R1037 VanDerWaalsContact O-N 3.09Å; E1034-R1037 IonicContact OE1-NE 3.72Å; E1034-R1037 IonicContact OE2-CZ 2.81Å; E1034-R1037 IonicContact OE2-NE 3.84Å; E1034-R1037 PolarHBondContact OE2-NE 3.44Å; E1034-R1037 IonicContact OE2-NH2 2.55Å; E1034-R1037 PolarHBondContact OE2-NH2 3Å; R1037-G1039 PolarHBondContact O-N 3.43Å |
| 1038 | I | 88.4 | Confident | 89.2 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.3 | -179 | 64.6 | 177.5 | 0 | 0 | 0 | 113.9 | L1009 E1034 L1035 G1042 R1043 | L1009-I1038 HydrophobicContact CD1-CD1 4.25Å; E1034-I1038 WeakPolarHBondContact O-CG2 3.5Å; E1034-I1038 PolarHBondContact O-N 3.39Å; L1035-I1038 HydrophobicContact CD2-CD1 3.92Å; L1035-I1038 WeakPolarHBondContact O-CG1 3.49Å; I1038-G1042 PolarHBondContact O-N 3.47Å; I1038-R1043 HydrophobicContact CD1-CG 3.95Å; I1038-R1043 HydrophobicContact CG1-CG 3.99Å |
| 1039 | G | 86.9 | Confident | 88.7 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | 68.3 | -177 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1036 R1037 R1043 | R1036-G1039 PolarHBondContact O-N 2.94Å; R1037-G1039 PolarHBondContact O-N 3.43Å; G1039-R1043 VanDerWaalsContact C-NH1 3.27Å; G1039-R1043 WeakPolarHBondContact O-CB 3.41Å; G1039-R1043 WeakPolarHBondContact O-CG 3.27Å; G1039-R1043 PolarHBondContact O-N 3.45Å; G1039-R1043 VanDerWaalsContact O-N 3.1Å; G1039-R1043 PolarHBondContact O-NH1 3.06Å |
| 1040 | Q | 87.3 | Confident | 88.3 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 53% | 0.533 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | -173.9 | -170.6 | -170.9 | 3.5 | 0 | 0 | 112.5 | K1044 E1141 | Q1040-K1044 PolarHBondContact O-N 3.32Å; Q1040-E1141 PolarHBondContact NE2-O 2.76Å |
| 1041 | S | 84.8 | Confident | 87.9 | Confident | 87 Ų | 87 | 48 Ų | 48 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64 | -50.6 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | R1043 K1044 D1045 | S1041-R1043 VanDerWaalsContact C-N 3.31Å; S1041-R1043 PolarHBondContact O-N 3.17Å; S1041-K1044 WeakPolarHBondContact O-CA 3.35Å; S1041-K1044 VanDerWaalsContact O-CB 3.31Å; S1041-K1044 WeakPolarHBondContact O-CB 3.47Å; S1041-K1044 PolarHBondContact O-N 3.34Å; S1041-D1045 PolarHBondContact O-N 2.99Å |
| 1042 | G | 85.1 | Confident | 87.5 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1038 K1044 D1045 T1046 | I1038-G1042 PolarHBondContact O-N 3.47Å; G1042-K1044 VanDerWaalsContact C-N 3.35Å; G1042-D1045 PolarHBondContact O-N 3.08Å; G1042-T1046 WeakPolarHBondContact O-CB 3.43Å; G1042-T1046 PolarHBondContact O-N 2.9Å; G1042-T1046 PolarHBondContact O-OG1 2.85Å |
| 1043 | R | 90.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 171.3 | -75.6 | -172.1 | -65.2 | -86.3 | 5.7 | 111.5 | L1035 I1038 G1039 S1041 T1046 V1047 E1141 | L1035-R1043 HydrophobicContact CD2-CG 4.37Å; L1035-R1043 PolarHBondContact O-NH1 3.28Å; I1038-R1043 HydrophobicContact CD1-CG 3.95Å; I1038-R1043 HydrophobicContact CG1-CG 3.99Å; G1039-R1043 VanDerWaalsContact C-NH1 3.27Å; G1039-R1043 WeakPolarHBondContact O-CB 3.41Å; G1039-R1043 WeakPolarHBondContact O-CG 3.27Å; G1039-R1043 PolarHBondContact O-N 3.45Å; G1039-R1043 VanDerWaalsContact O-N 3.1Å; G1039-R1043 PolarHBondContact O-NH1 3.06Å; S1041-R1043 VanDerWaalsContact C-N 3.31Å; S1041-R1043 PolarHBondContact O-N 3.17Å; R1043-T1046 WeakPolarHBondContact O-CB 3.49Å; R1043-T1046 PolarHBondContact O-N 3.47Å; R1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; R1043-V1047 PolarHBondContact O-N 3.47Å; R1043-E1141 IonicContact CZ-OE2 3.55Å; R1043-E1141 IonicContact NE-OE2 3.52Å; R1043-E1141 IonicContact NH2-OE2 2.81Å; R1043-E1141 PolarHBondContact NH2-OE2 3.46Å |
| 1044 | K | 85.1 | Confident | 86.6 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.9 | -168.8 | -174.2 | 177.6 | -172.9 | 0 | 111.5 | Q1040 S1041 G1042 T1046 V1047 D1048 Y1171 | Q1040-K1044 PolarHBondContact O-N 3.32Å; S1041-K1044 WeakPolarHBondContact O-CA 3.35Å; S1041-K1044 VanDerWaalsContact O-CB 3.31Å; S1041-K1044 WeakPolarHBondContact O-CB 3.47Å; S1041-K1044 PolarHBondContact O-N 3.34Å; G1042-K1044 VanDerWaalsContact C-N 3.35Å; K1044-T1046 PolarHBondContact O-N 3.3Å; K1044-V1047 WeakPolarHBondContact O-CB 3.42Å; K1044-V1047 PolarHBondContact O-N 2.86Å; K1044-D1048 PolarHBondContact O-N 3.25Å; K1044-Y1171 WeakPolarHBondContact CE-OH 3.35Å; K1044-Y1171 HydrophobicContact CG-CE1 4.34Å; K1044-Y1171 WeakPolarHBondContact CG-OH 3.4Å |
| 1045 | D | 85.4 | Confident | 85.9 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 177.2 | -60.3 | -22.5 | 0 | 0 | 0 | 111.6 | S1041 G1042 D1048 A1049 | S1041-D1045 PolarHBondContact O-N 2.99Å; G1042-D1045 PolarHBondContact O-N 3.08Å; D1045-D1048 PolarHBondContact O-N 2.87Å; D1045-A1049 VanDerWaalsContact O-CB 3.29Å; D1045-A1049 WeakPolarHBondContact O-CB 3.38Å; D1045-A1049 PolarHBondContact O-N 3.47Å |
| 1046 | T | 86.4 | Confident | 84.7 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L1009 G1042 R1043 K1044 A1049 W1050 I1134 | L1009-T1046 HydrophobicContact CD1-CG2 3.96Å; G1042-T1046 WeakPolarHBondContact O-CB 3.43Å; G1042-T1046 PolarHBondContact O-N 2.9Å; G1042-T1046 PolarHBondContact O-OG1 2.85Å; R1043-T1046 WeakPolarHBondContact O-CB 3.49Å; R1043-T1046 PolarHBondContact O-N 3.47Å; K1044-T1046 PolarHBondContact O-N 3.3Å; T1046-A1049 PolarHBondContact O-N 3.38Å; T1046-W1050 PolarHBondContact O-N 2.67Å; T1046-I1134 HydrophobicContact CG2-CD1 4.06Å |
| 1047 | V | 86.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | R1043 K1044 A1049 W1050 A1051 L1131 I1134 Y1171 | R1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; R1043-V1047 PolarHBondContact O-N 3.47Å; K1044-V1047 WeakPolarHBondContact O-CB 3.42Å; K1044-V1047 PolarHBondContact O-N 2.86Å; V1047-A1049 VanDerWaalsContact C-N 3.29Å; V1047-A1049 PolarHBondContact O-N 2.89Å; V1047-W1050 PolarHBondContact O-N 3.33Å; V1047-A1051 WeakPolarHBondContact O-CB 3.44Å; V1047-A1051 PolarHBondContact O-N 3.32Å; V1047-L1131 HydrophobicContact CB-CD2 4.08Å; V1047-L1131 HydrophobicContact CG1-CD2 4.21Å; V1047-L1131 HydrophobicContact CG2-CD2 3.84Å; V1047-I1134 HydrophobicContact CG2-CD1 4.15Å; V1047-I1134 HydrophobicContact CG2-CG2 3.95Å; V1047-Y1171 HydrophobicContact CG1-CD1 4.4Å; V1047-Y1171 HydrophobicContact CG1-CE1 4.11Å |
| 1048 | D | 84.3 | Confident | 80.1 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | -178.3 | -64.5 | -15 | 0 | 0 | 0 | 111.4 | K1044 D1045 P1052 Y1171 | K1044-D1048 PolarHBondContact O-N 3.25Å; D1045-D1048 PolarHBondContact O-N 2.87Å; D1048-P1052 WeakPolarHBondContact O-CD 3.31Å; D1048-Y1171 PolarHBondContact OD1-OH 2.8Å |
| 1049 | A | 82.6 | Confident | 77.4 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.2 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1045 T1046 V1047 | D1045-A1049 VanDerWaalsContact O-CB 3.29Å; D1045-A1049 WeakPolarHBondContact O-CB 3.38Å; D1045-A1049 PolarHBondContact O-N 3.47Å; T1046-A1049 PolarHBondContact O-N 3.38Å; V1047-A1049 VanDerWaalsContact C-N 3.29Å; V1047-A1049 PolarHBondContact O-N 2.89Å |
| 1050 | W | 86.8 | Confident | 74.6 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -101.2 | -18.3 | -174.7 | -74.8 | 92.5 | 0 | 0 | 0 | 114.6 | E1010 T1046 V1047 Y1053 T1126 A1127 L1130 L1131 | E1010-W1050 HydrophobicContact CB-CH2 3.9Å; E1010-W1050 HydrophobicContact CB-CZ2 3.68Å; E1010-W1050 HydrophobicContact CG-CZ2 4.46Å; T1046-W1050 PolarHBondContact O-N 2.67Å; V1047-W1050 PolarHBondContact O-N 3.33Å; W1050-Y1053 HydrophobicContact CD2-CD2 4.49Å; W1050-Y1053 AromaticContact CE3-CD2 3.85Å; W1050-Y1053 HydrophobicContact CE3-CD2 3.85Å; W1050-Y1053 HydrophobicContact CE3-CE2 4.36Å; W1050-Y1053 HydrophobicContact CZ3-CD2 4.35Å; W1050-Y1053 PolarHBondContact O-N 3.09Å; W1050-Y1053 VanDerWaalsContact O-N 3.15Å; W1050-T1126 HydrophobicContact CE3-CG2 4.48Å; W1050-T1126 HydrophobicContact CH2-CG2 3.9Å; W1050-T1126 HydrophobicContact CZ3-CG2 3.88Å; W1050-A1127 HydrophobicContact CB-CB 4.39Å; W1050-A1127 HydrophobicContact CE3-CB 4.04Å; W1050-L1130 HydrophobicContact CD2-CD1 3.87Å; W1050-L1130 HydrophobicContact CE3-CD1 4.47Å; W1050-L1130 HydrophobicContact CG-CD1 4.03Å; W1050-L1130 HydrophobicContact CZ2-CD1 4.34Å; W1050-L1131 HydrophobicContact CB-CD1 4.43Å; W1050-L1131 HydrophobicContact CB-CD2 4.27Å; W1050-L1131 HydrophobicContact CB-CG 4.42Å |
| 1051 | A | 85.3 | Confident | 71.9 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -55.6 | -37.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1047 Y1053 L1054 L1131 N1170 | V1047-A1051 WeakPolarHBondContact O-CB 3.44Å; V1047-A1051 PolarHBondContact O-N 3.32Å; A1051-Y1053 PolarHBondContact O-N 3.31Å; A1051-Y1053 VanDerWaalsContact O-N 3.14Å; A1051-L1054 WeakPolarHBondContact O-CB 3.39Å; A1051-L1054 PolarHBondContact O-N 3.48Å; A1051-L1131 HydrophobicContact CB-CD1 4.49Å; A1051-N1170 HydrophobicContact CB-CB 4.38Å |
| 1052 | P | 85.8 | Confident | 69.2 | Low | 89 Ų | 89 | 80 Ų | 80 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -60.7 | -23.3 | 178.3 | -25.8 | 35.9 | 0 | 0 | 0 | 114.4 | D1048 L1054 | D1048-P1052 WeakPolarHBondContact O-CD 3.31Å; P1052-L1054 VanDerWaalsContact C-N 3.33Å |
| 1053 | Y | 84.1 | Confident | 66.3 | Low | 97 Ų | 97 | 84.3 Ų | 84.3 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -88.1 | 3.8 | 178.9 | -54.6 | -74.2 | 0 | 0 | 0 | 113 | W1050 A1051 K1123 Q1124 | W1050-Y1053 HydrophobicContact CD2-CD2 4.49Å; W1050-Y1053 AromaticContact CE3-CD2 3.85Å; W1050-Y1053 HydrophobicContact CE3-CD2 3.85Å; W1050-Y1053 HydrophobicContact CE3-CE2 4.36Å; W1050-Y1053 HydrophobicContact CZ3-CD2 4.35Å; W1050-Y1053 PolarHBondContact O-N 3.09Å; W1050-Y1053 VanDerWaalsContact O-N 3.15Å; A1051-Y1053 PolarHBondContact O-N 3.31Å; A1051-Y1053 VanDerWaalsContact O-N 3.14Å; Y1053-K1123 HydrophobicContact CD1-CB 3.86Å; Y1053-K1123 HydrophobicContact CD1-CD 4.02Å; Y1053-K1123 HydrophobicContact CD1-CG 4.46Å; Y1053-K1123 HydrophobicContact CE1-CB 4.4Å; Y1053-K1123 HydrophobicContact CE1-CD 3.7Å; Y1053-K1123 HydrophobicContact CG-CB 4.14Å; Y1053-Q1124 WeakPolarHBondContact O-CA 3.49Å; Y1053-Q1124 WeakPolarHBondContact O-CG 3.49Å |
| 1054 | L | 82.4 | Confident | 63.6 | Low | 15 Ų | 15 | 90.1 Ų | 90.1 | 8% | 0.079 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -72.8 | 148.1 | 172.4 | -75.2 | 175.6 | 0 | 0 | 0 | 110.9 | A1051 P1052 Q1056 A1127 I1128 L1131 L1173 | A1051-L1054 WeakPolarHBondContact O-CB 3.39Å; A1051-L1054 PolarHBondContact O-N 3.48Å; P1052-L1054 VanDerWaalsContact C-N 3.33Å; L1054-Q1056 PolarHBondContact O-N 3Å; L1054-A1127 HydrophobicContact CD2-CB 4.36Å; L1054-I1128 HydrophobicContact CD2-CG1 3.96Å; L1054-L1131 HydrophobicContact CD1-CD1 3.5Å; L1054-L1131 HydrophobicContact CD2-CD1 3.98Å; L1054-L1131 HydrophobicContact CG-CD1 3.65Å; L1054-L1173 HydrophobicContact CB-CD2 4.37Å; L1054-L1173 HydrophobicContact CD1-CB 4.48Å; L1054-L1173 HydrophobicContact CD1-CD2 3.82Å |
| 1055 | P | 76.1 | Confident | 60.9 | Low | 45 Ų | 45 | 88.5 Ų | 88.5 | 29% | 0.292 | 52% | 0.515 | S | S | . | . | trans | -57.1 | 122.1 | 172.6 | -21 | 31.6 | 0 | 0 | 0 | 110.7 | Y1057 I1128 | P1055-Y1057 HydrophobicContact CB-CD2 4.31Å; P1055-Y1057 HydrophobicContact CB-CE2 4.07Å; P1055-Y1057 PolarHBondContact O-N 3.47Å; P1055-I1128 HydrophobicContact CG-CD1 4.35Å | ||
| 1056 | Q | 65.4 | Low | 58.1 | Low | 176 Ų | 176 | 90.8 Ų | 90.8 | 82% | 0.822 | 53% | 0.533 | S | S | * | . | trans | -79.9 | 97.1 | 170.3 | -66.8 | -179.4 | 10.5 | 0 | 0 | 108 | L1054 V1058 | L1054-Q1056 PolarHBondContact O-N 3Å; Q1056-V1058 PolarHBondContact O-N 2.64Å | ||
| 1057 | Y | 46 | Very low | 55.3 | Low | 204 Ų | 204 | 94.3 Ų | 94.3 | 80% | 0.8 | 56% | 0.564 | S | S | * | * | trans | -71.6 | 110.5 | 169.1 | -80.2 | -88.4 | 0 | 0 | 0 | 108.6 | P1055 D1059 | P1055-Y1057 HydrophobicContact CB-CD2 4.31Å; P1055-Y1057 HydrophobicContact CB-CE2 4.07Å; P1055-Y1057 PolarHBondContact O-N 3.47Å; Y1057-D1059 PolarHBondContact O-N 3.5Å | ||
| 1058 | V | 36.2 | Very low | 52.5 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | trans | -79.4 | 106.6 | 166.9 | -172 | 0 | 0 | 0 | 0 | 106.5 | Q1056 T1060 | Q1056-V1058 PolarHBondContact O-N 2.64Å; V1058-T1060 VanDerWaalsContact C-N 3.3Å; V1058-T1060 PolarHBondContact O-N 3.18Å | ||
| 1059 | D | 32.4 | Very low | 49.7 | Very low | 146 Ų | 146 | 106.1 Ų | 106.1 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | trans | -66.1 | 89.5 | 170.3 | -82.8 | -29.1 | 0 | 0 | 0 | 109.2 | Y1057 V1061 | Y1057-D1059 PolarHBondContact O-N 3.5Å; D1059-V1061 PolarHBondContact O-N 3.48Å | ||
| 1060 | T | 28.9 | Very low | 47 | Very low | 124 Ų | 124 | 110 Ų | 110 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | trans | -76.5 | 75.8 | 160.7 | 41 | 0 | 0 | 0 | 0 | 109.1 | V1058 | V1058-T1060 VanDerWaalsContact C-N 3.3Å; V1058-T1060 PolarHBondContact O-N 3.18Å | ||
| 1061 | V | 29.6 | Very low | 44.4 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | trans | -99.3 | 84.8 | 159.5 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | D1059 S1063 | D1059-V1061 PolarHBondContact O-N 3.48Å; V1061-S1063 PolarHBondContact O-N 2.95Å | ||
| 1062 | S | 27.8 | Very low | 41.9 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | -75.9 | 107.4 | 165.9 | -63 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1063 | S | 25.9 | Very low | 39.2 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -58 | 134.3 | 167.6 | -42.7 | 0 | 0 | 0 | 0 | 110.6 | V1061 | V1061-S1063 PolarHBondContact O-N 2.95Š| ||
| 1064 | P | 31.8 | Very low | 36.7 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -82.6 | 131.9 | 177.9 | 31 | -30.8 | 0 | 0 | 0 | 111.2 | ||||
| 1065 | G | 28.2 | Very low | 34.4 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 128.4 | 100 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1066 | T | 26.7 | Very low | 32.9 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | -177.6 | 127.2 | 112.7 | 24.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1067 | A | 27.3 | Very low | 31.5 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 152.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1068 | T | 28 | Very low | 31.2 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -167.1 | 108.1 | 135.4 | 15.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1069 | E | 26.6 | Very low | 30.9 | Very low | 187 Ų | 187 | 129.4 Ų | 129.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 45.8 | 119.4 | 140.3 | -60.2 | -174.5 | 156.9 | 0 | 0 | 122.8 | ||||
| 1070 | T | 26.5 | Very low | 30.7 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -126.8 | 138 | 148.9 | 40.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1071 | P | 31.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 169 | 176.8 | 35 | -31.8 | 0 | 0 | 0 | 113.3 | ||||
| 1072 | P | 32.6 | Very low | 31 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -105.8 | 159.2 | -130.6 | 39.5 | -37.9 | 0 | 0 | 0 | 116.7 | ||||
| 1073 | Q | 27.9 | Very low | 31 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99 | 149.3 | 162.6 | -89.7 | -176.4 | -16.3 | 0 | 0 | 112.2 | ||
| 1074 | A | 31.9 | Very low | 30.9 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 167.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1075 | P | 34.7 | Very low | 30.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 169.6 | -143.5 | 38.1 | -37.2 | 0 | 0 | 0 | 116.4 | ||
| 1076 | P | 44.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 169.4 | -177.9 | 38.7 | -33.1 | 0 | 0 | 0 | 113 | ||
| 1077 | P | 37.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -109.7 | 163.6 | 161.2 | 31.7 | -17.4 | 0 | 0 | 0 | 113.6 | ||||
| 1078 | P | 38.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -122.8 | 158.2 | -131.5 | 37.8 | -23.5 | 0 | 0 | 0 | 117.1 | ||||
| 1079 | E | 29.9 | Very low | 30.2 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 39.2 | 129.3 | 139.4 | -64.1 | -179.1 | 159.4 | 0 | 0 | 122.8 | ||||
| 1080 | A | 28.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | -161.4 | 122.8 | 111.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1081 | Q | 27.2 | Very low | 30.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -83.6 | -170.9 | 166.7 | -57.6 | -173.5 | -16.3 | 0 | 0 | 109.8 | ||||
| 1082 | P | 38.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | cis | -150.7 | -179.5 | 11.8 | 32.6 | -5 | 0 | 0 | 0 | 119.5 | ||||
| 1083 | V | 27.3 | Very low | 29.2 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 102.7 | 106.4 | 145.9 | -167 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1084 | E | 25.3 | Very low | 29.2 | Very low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 38.9 | 132 | 134.7 | -50.7 | 177.3 | 163.4 | 0 | 0 | 120.5 | ||||
| 1085 | T | 25 | Very low | 28.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | -179.3 | 146.7 | 67.6 | 10.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1086 | K | 24 | Very low | 28.5 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 66.7 | 110.8 | 147.1 | -71.3 | -178.4 | 175 | 179.5 | 0 | 122.9 | ||||
| 1087 | A | 22.9 | Very low | 27.6 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 18.5 | 161.6 | 131.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1088 | P | 29.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -129 | 175.9 | 4.9 | 35.2 | -14.6 | 0 | 0 | 0 | 115.7 | ||||
| 1089 | E | 25.6 | Very low | 26.6 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -66 | 139.6 | 172.9 | -62.3 | 165.7 | 150.1 | 0 | 0 | 112.4 | ||||
| 1090 | E | 26 | Very low | 26.4 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 140 | 154.7 | -109.5 | 175.4 | -163.8 | 0 | 0 | 109.7 | ||||
| 1091 | E | 24.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -70.7 | 137.5 | -164.3 | -63.3 | 172.8 | 139.8 | 0 | 0 | 112.9 | ||||
| 1092 | M | 24.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 140 Ų | 140 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -93.1 | 104.5 | 174.9 | -165.6 | 169 | 71.1 | 0 | 0 | 109.4 | ||||
| 1093 | D | 23 | Very low | 25.7 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -74.9 | 119.9 | 171.5 | -159.6 | 10.5 | 0 | 0 | 0 | 109.1 | ||||
| 1094 | V | 27 | Very low | 25.5 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | trans | -96.3 | 111.1 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1095 | T | 26.3 | Very low | 25.7 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -89.8 | 124 | 172.4 | 37.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1096 | D | 25.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | trans | -75 | 120.9 | 175.9 | -88 | -35.6 | 0 | 0 | 0 | 109.7 | R1121 | D1096-R1121 IonicContact OD2-CZ 3.48Å; D1096-R1121 IonicContact OD2-NH1 3.96Å; D1096-R1121 PolarHBondContact OD2-NH1 3.45Å; D1096-R1121 IonicContact OD2-NH2 2.87Å | ||
| 1097 | D | 25.1 | Very low | 26.1 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -156.9 | 115 | 153.9 | -93.6 | -28.9 | 0 | 0 | 0 | 109.5 | ||||
| 1098 | D | 27.3 | Very low | 26.2 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | 161.1 | 126.6 | 132.5 | -87.8 | -21.9 | 0 | 0 | 0 | 113.3 | ||||
| 1099 | I | 26.5 | Very low | 26.1 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -125.6 | 108.5 | 159.3 | -64.6 | 177.3 | 0 | 0 | 0 | 107.3 | ||||
| 1100 | T | 26.9 | Very low | 26.2 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -131.3 | 125.8 | 159 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1101 | A | 26.1 | Very low | 26.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -92.2 | 132 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1102 | G | 26.4 | Very low | 26.8 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -159.6 | 117.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1103 | C | 26 | Very low | 27.2 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 124.9 | -175.3 | -113.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1104 | L | 23.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -142.6 | 136.2 | 146.5 | -81.7 | 178.4 | 0 | 0 | 0 | 110.2 | ||||
| 1105 | S | 30 | Very low | 28.2 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -62.1 | 146.1 | -174.6 | 49.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1106 | N | 32.1 | Very low | 29.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 76.1 | 100.7 | 166.2 | -62.9 | -20.7 | 0 | 0 | 0 | 117.3 | ||||
| 1107 | L | 25.7 | Very low | 30.8 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -176.7 | 162.2 | 148.9 | -95.5 | 160.6 | 0 | 0 | 0 | 109.8 | ||||
| 1108 | P | 25 | Very low | 32.4 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -78.2 | 163.6 | -147 | 31.9 | -36.9 | 0 | 0 | 0 | 116.3 | N1110 | P1108-N1110 PolarHBondContact O-N 3.17Å; P1108-N1110 VanDerWaalsContact O-N 3.12Å | ||
| 1109 | P | 26.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -81 | 95.6 | -168.9 | 32.5 | -32.5 | 0 | 0 | 0 | 111.3 | ||
| 1110 | N | 26.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 90% | 0.904 | 69% | 0.687 | S | S | * | * | trans | -162.8 | 38.8 | 158.4 | -114 | -8.1 | 0 | 0 | 0 | 114.6 | P1108 | P1108-N1110 PolarHBondContact O-N 3.17Å; P1108-N1110 VanDerWaalsContact O-N 3.12Å | ||
| 1111 | A | 29.3 | Very low | 38.7 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -126.5 | 67.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1112 | K | 33.4 | Very low | 40.9 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 54% | 0.543 | 64% | 0.642 | S | S | . | * | trans | -135.5 | 87.6 | 167.7 | -78.7 | -178.5 | 176.7 | 171.9 | 0 | 108.4 | D200 | D200-K1112 IonicContact OD1-NZ 3.81Å; D200-K1112 PolarHBondContact OD1-NZ 2.88Å; D200-K1112 IonicContact OD2-NZ 3.87Å; D200-K1112 PolarHBondContact OD2-NZ 3.03Å | ||
| 1113 | K | 34.1 | Very low | 43.6 | Very low | 187 Ų | 187 | 114.8 Ų | 114.8 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | trans | -170.6 | 17.5 | 169.4 | -114.2 | 169.3 | -169.1 | -173.9 | 0 | 118.3 | ||||
| 1114 | I | 31.7 | Very low | 46.4 | Very low | 129 Ų | 129 | 111.6 Ų | 111.6 | 66% | 0.662 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -92.6 | -37.6 | -174.6 | -59.1 | 173.5 | 0 | 0 | 0 | 112.4 | S1117 | I1114-S1117 PolarHBondContact O-N 2.94Å; I1114-S1117 PolarHBondContact O-OG 3.29Å |
| 1115 | S | 38.7 | Very low | 49.4 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 56% | 0.559 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -46.6 | 179.7 | 172.2 | 0 | 0 | 0 | 0 | 114.2 | S1117 | S1115-S1117 PolarHBondContact O-N 3.29Š|
| 1116 | N | 46.9 | Very low | 52.1 | Low | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -13.2 | -178.4 | -80 | -10.9 | 0 | 0 | 0 | 114.4 | E1120 | N1116-E1120 VanDerWaalsContact O-CB 3.28Å; N1116-E1120 WeakPolarHBondContact O-CB 3.42Å; N1116-E1120 VanDerWaalsContact O-CG 3.24Å; N1116-E1120 WeakPolarHBondContact O-CG 3.49Å; N1116-E1120 PolarHBondContact O-N 3.12Å |
| 1117 | S | 58.3 | Low | 54.7 | Low | 30 Ų | 30 | 93.9 Ų | 93.9 | 21% | 0.21 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -69.4 | -40.1 | -170.8 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | I1114 S1115 R1121 | I1114-S1117 PolarHBondContact O-N 2.94Å; I1114-S1117 PolarHBondContact O-OG 3.29Å; S1115-S1117 PolarHBondContact O-N 3.29Å; S1117-R1121 VanDerWaalsContact O-CB 3.25Å; S1117-R1121 WeakPolarHBondContact O-CB 3.38Å; S1117-R1121 WeakPolarHBondContact O-CD 3.37Å; S1117-R1121 WeakPolarHBondContact O-CG 3.32Å; S1117-R1121 PolarHBondContact O-N 3.01Å |
| 1118 | Y | 60.5 | Low | 57.7 | Low | 142 Ų | 142 | 88.5 Ų | 88.5 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -74.1 | -43.5 | -173.8 | -177.1 | -93.8 | 0 | 0 | 0 | 112.7 | R1121 R1122 | Y1118-R1121 PolarHBondContact O-N 3.13Å; Y1118-R1122 WeakPolarHBondContact O-CB 3.2Å; Y1118-R1122 PolarHBondContact O-N 2.55Å |
| 1119 | E | 65.8 | Low | 60.7 | Low | 47 Ų | 47 | 84.2 Ų | 84.2 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -71.1 | -38.6 | -179.4 | -156.6 | -162.2 | 166.7 | 0 | 0 | 111.7 | R1122 K1123 | E1119-R1122 PolarHBondContact O-N 2.83Å; E1119-R1122 IonicContact OE1-NH2 3.81Å; E1119-K1123 VanDerWaalsContact CD-NZ 3.29Å; E1119-K1123 WeakPolarHBondContact O-CG 3.49Å; E1119-K1123 PolarHBondContact O-N 3.25Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.28Å; E1119-K1123 IonicContact OE1-NZ 3.92Å; E1119-K1123 PolarHBondContact OE1-NZ 2.93Å; E1119-K1123 IonicContact OE2-NZ 3.26Å |
| 1120 | E | 70.1 | Confident | 63.7 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 171.6 | -75.5 | -179.8 | 173.6 | 0 | 0 | 111.2 | N1116 R1122 K1123 Q1124 | N1116-E1120 VanDerWaalsContact O-CB 3.28Å; N1116-E1120 WeakPolarHBondContact O-CB 3.42Å; N1116-E1120 VanDerWaalsContact O-CG 3.24Å; N1116-E1120 WeakPolarHBondContact O-CG 3.49Å; N1116-E1120 PolarHBondContact O-N 3.12Å; E1120-R1122 PolarHBondContact O-N 3.34Å; E1120-K1123 PolarHBondContact O-N 3.39Å; E1120-Q1124 WeakPolarHBondContact O-CB 3.47Å; E1120-Q1124 VanDerWaalsContact O-CG 3.22Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.48Å; E1120-Q1124 PolarHBondContact O-N 3.21Å |
| 1121 | R | 75.5 | Confident | 66.7 | Low | 131 Ų | 131 | 70.3 Ų | 70.3 | 49% | 0.494 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.6 | -39.9 | 174 | -76.7 | 172.4 | -165.6 | 173.5 | 7.6 | 111.5 | D1096 S1117 Y1118 Q1124 A1125 | D1096-R1121 IonicContact OD2-CZ 3.48Å; D1096-R1121 IonicContact OD2-NH1 3.96Å; D1096-R1121 PolarHBondContact OD2-NH1 3.45Å; D1096-R1121 IonicContact OD2-NH2 2.87Å; S1117-R1121 VanDerWaalsContact O-CB 3.25Å; S1117-R1121 WeakPolarHBondContact O-CB 3.38Å; S1117-R1121 WeakPolarHBondContact O-CD 3.37Å; S1117-R1121 WeakPolarHBondContact O-CG 3.32Å; S1117-R1121 PolarHBondContact O-N 3.01Å; Y1118-R1121 PolarHBondContact O-N 3.13Å; R1121-Q1124 WeakPolarHBondContact O-CB 3.35Å; R1121-A1125 WeakPolarHBondContact O-CB 3.38Å; R1121-A1125 PolarHBondContact O-N 3.42Å |
| 1122 | R | 73.3 | Confident | 69.4 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.1 | -43.8 | 177.8 | -172.6 | -175.7 | 69.2 | 172.5 | -2.3 | 112.7 | Y1118 E1119 E1120 Q1124 A1125 T1126 | Y1118-R1122 WeakPolarHBondContact O-CB 3.2Å; Y1118-R1122 PolarHBondContact O-N 2.55Å; E1119-R1122 PolarHBondContact O-N 2.83Å; E1119-R1122 IonicContact OE1-NH2 3.81Å; E1120-R1122 PolarHBondContact O-N 3.34Å; R1122-Q1124 VanDerWaalsContact C-N 3.32Å; R1122-A1125 PolarHBondContact O-N 3.21Å; R1122-T1126 PolarHBondContact O-N 3.47Å; R1122-T1126 PolarHBondContact O-OG1 3.4Å |
| 1123 | K | 82.2 | Confident | 72.1 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.6 | -75.4 | 174.4 | -179.3 | 157.8 | 0 | 110.2 | Y1053 E1119 E1120 T1126 A1127 | Y1053-K1123 HydrophobicContact CD1-CB 3.86Å; Y1053-K1123 HydrophobicContact CD1-CD 4.02Å; Y1053-K1123 HydrophobicContact CD1-CG 4.46Å; Y1053-K1123 HydrophobicContact CE1-CB 4.4Å; Y1053-K1123 HydrophobicContact CE1-CD 3.7Å; Y1053-K1123 HydrophobicContact CG-CB 4.14Å; E1119-K1123 VanDerWaalsContact CD-NZ 3.29Å; E1119-K1123 WeakPolarHBondContact O-CG 3.49Å; E1119-K1123 PolarHBondContact O-N 3.25Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.28Å; E1119-K1123 IonicContact OE1-NZ 3.92Å; E1119-K1123 PolarHBondContact OE1-NZ 2.93Å; E1119-K1123 IonicContact OE2-NZ 3.26Å; E1120-K1123 PolarHBondContact O-N 3.39Å; K1123-T1126 PolarHBondContact O-N 3.42Å; K1123-A1127 WeakPolarHBondContact O-CB 3.42Å; K1123-A1127 PolarHBondContact O-N 2.88Å |
| 1124 | Q | 86.3 | Confident | 74.7 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -52.8 | 172.1 | -75.4 | 167.4 | 4.2 | 0 | 0 | 111.8 | Y1053 E1120 R1121 R1122 T1126 A1127 I1128 | Y1053-Q1124 WeakPolarHBondContact O-CA 3.49Å; Y1053-Q1124 WeakPolarHBondContact O-CG 3.49Å; E1120-Q1124 WeakPolarHBondContact O-CB 3.47Å; E1120-Q1124 VanDerWaalsContact O-CG 3.22Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.48Å; E1120-Q1124 PolarHBondContact O-N 3.21Å; R1121-Q1124 WeakPolarHBondContact O-CB 3.35Å; R1122-Q1124 VanDerWaalsContact C-N 3.32Å; Q1124-T1126 VanDerWaalsContact C-N 3.29Å; Q1124-T1126 PolarHBondContact O-N 3.21Å; Q1124-A1127 PolarHBondContact O-N 2.87Å; Q1124-A1127 VanDerWaalsContact O-N 3.16Å; Q1124-I1128 VanDerWaalsContact O-CG1 3.24Å; Q1124-I1128 WeakPolarHBondContact O-CG1 3.47Å; Q1124-I1128 PolarHBondContact O-N 3.14Å |
| 1125 | A | 84.6 | Confident | 77.3 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.8 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1121 R1122 I1128 V1129 | R1121-A1125 WeakPolarHBondContact O-CB 3.38Å; R1121-A1125 PolarHBondContact O-N 3.42Å; R1122-A1125 PolarHBondContact O-N 3.21Å; A1125-I1128 PolarHBondContact O-N 3.19Å; A1125-V1129 WeakPolarHBondContact O-CG2 3.39Å; A1125-V1129 PolarHBondContact O-N 3.01Å |
| 1126 | T | 86.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.1 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | E1010 A1013 W1050 R1122 K1123 Q1124 V1129 L1130 | E1010-T1126 HydrophobicContact CB-CG2 3.97Å; A1013-T1126 HydrophobicContact CB-CG2 3.94Å; W1050-T1126 HydrophobicContact CE3-CG2 4.48Å; W1050-T1126 HydrophobicContact CH2-CG2 3.9Å; W1050-T1126 HydrophobicContact CZ3-CG2 3.88Å; R1122-T1126 PolarHBondContact O-N 3.47Å; R1122-T1126 PolarHBondContact O-OG1 3.4Å; K1123-T1126 PolarHBondContact O-N 3.42Å; Q1124-T1126 VanDerWaalsContact C-N 3.29Å; Q1124-T1126 PolarHBondContact O-N 3.21Å; T1126-V1129 PolarHBondContact O-N 2.88Å; T1126-L1130 HydrophobicContact CG2-CD1 3.96Å; T1126-L1130 HydrophobicContact CG2-CG 4.48Å; T1126-L1130 WeakPolarHBondContact O-CB 3.49Å; T1126-L1130 WeakPolarHBondContact O-CG 3.38Å; T1126-L1130 PolarHBondContact O-N 3.48Å |
| 1127 | A | 87.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1050 L1054 K1123 Q1124 V1129 L1130 L1131 | W1050-A1127 HydrophobicContact CB-CB 4.39Å; W1050-A1127 HydrophobicContact CE3-CB 4.04Å; L1054-A1127 HydrophobicContact CD2-CB 4.36Å; K1123-A1127 WeakPolarHBondContact O-CB 3.42Å; K1123-A1127 PolarHBondContact O-N 2.88Å; Q1124-A1127 PolarHBondContact O-N 2.87Å; Q1124-A1127 VanDerWaalsContact O-N 3.16Å; A1127-V1129 VanDerWaalsContact C-N 3.32Å; A1127-V1129 PolarHBondContact O-N 3.1Å; A1127-L1130 PolarHBondContact O-N 3.46Å; A1127-L1131 VanDerWaalsContact O-CB 3.29Å; A1127-L1131 WeakPolarHBondContact O-CB 3.41Å; A1127-L1131 WeakPolarHBondContact O-CG 3.28Å; A1127-L1131 PolarHBondContact O-N 3.42Å |
| 1128 | I | 88.5 | Confident | 82.7 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 178.1 | -69.3 | 163.7 | 0 | 0 | 0 | 110.7 | L1054 P1055 Q1124 A1125 G1132 | L1054-I1128 HydrophobicContact CD2-CG1 3.96Å; P1055-I1128 HydrophobicContact CG-CD1 4.35Å; Q1124-I1128 VanDerWaalsContact O-CG1 3.24Å; Q1124-I1128 WeakPolarHBondContact O-CG1 3.47Å; Q1124-I1128 PolarHBondContact O-N 3.14Å; A1125-I1128 PolarHBondContact O-N 3.19Å; I1128-G1132 WeakPolarHBondContact O-CA 3.28Å; I1128-G1132 PolarHBondContact O-N 2.89Å |
| 1129 | V | 88.7 | Confident | 83.3 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -53 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | A1013 W1016 A1125 T1126 A1127 L1131 G1132 V1133 | A1013-V1129 HydrophobicContact CB-CB 4.29Å; A1013-V1129 HydrophobicContact CB-CG1 3.92Å; W1016-V1129 HydrophobicContact CB-CG1 3.56Å; W1016-V1129 HydrophobicContact CD2-CG1 4.08Å; W1016-V1129 HydrophobicContact CG-CG1 3.55Å; A1125-V1129 WeakPolarHBondContact O-CG2 3.39Å; A1125-V1129 PolarHBondContact O-N 3.01Å; T1126-V1129 PolarHBondContact O-N 2.88Å; A1127-V1129 VanDerWaalsContact C-N 3.32Å; A1127-V1129 PolarHBondContact O-N 3.1Å; V1129-L1131 PolarHBondContact O-N 3.12Å; V1129-G1132 PolarHBondContact O-N 3.41Å; V1129-V1133 HydrophobicContact CG1-CG2 4.49Å; V1129-V1133 VanDerWaalsContact O-CG2 3.28Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.34Å; V1129-V1133 PolarHBondContact O-N 3.31Å |
| 1130 | L | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -51 | -176.6 | -76.9 | 172.7 | 0 | 0 | 0 | 112.3 | L1009 A1013 L1031 W1050 T1126 A1127 V1133 I1134 | L1009-L1130 HydrophobicContact CB-CD2 3.89Å; A1013-L1130 HydrophobicContact CB-CD1 4.28Å; A1013-L1130 HydrophobicContact CB-CD2 3.67Å; A1013-L1130 HydrophobicContact CB-CG 3.56Å; L1031-L1130 HydrophobicContact CD1-CD2 3.93Å; L1031-L1130 HydrophobicContact CD2-CD2 4.28Å; W1050-L1130 HydrophobicContact CD2-CD1 3.87Å; W1050-L1130 HydrophobicContact CE3-CD1 4.47Å; W1050-L1130 HydrophobicContact CG-CD1 4.03Å; W1050-L1130 HydrophobicContact CZ2-CD1 4.34Å; T1126-L1130 HydrophobicContact CG2-CD1 3.96Å; T1126-L1130 HydrophobicContact CG2-CG 4.48Å; T1126-L1130 WeakPolarHBondContact O-CB 3.49Å; T1126-L1130 WeakPolarHBondContact O-CG 3.38Å; T1126-L1130 PolarHBondContact O-N 3.48Å; A1127-L1130 PolarHBondContact O-N 3.46Å; L1130-V1133 PolarHBondContact O-N 3.02Å; L1130-I1134 VanDerWaalsContact O-CG1 3.31Å; L1130-I1134 WeakPolarHBondContact O-CG1 3.36Å; L1130-I1134 PolarHBondContact O-N 3.3Å |
| 1131 | L | 89.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72 | -33.7 | -176.9 | -58.4 | 177.7 | 0 | 0 | 0 | 111.3 | V1047 W1050 A1051 L1054 A1127 V1129 I1134 G1135 | V1047-L1131 HydrophobicContact CB-CD2 4.08Å; V1047-L1131 HydrophobicContact CG1-CD2 4.21Å; V1047-L1131 HydrophobicContact CG2-CD2 3.84Å; W1050-L1131 HydrophobicContact CB-CD1 4.43Å; W1050-L1131 HydrophobicContact CB-CD2 4.27Å; W1050-L1131 HydrophobicContact CB-CG 4.42Å; A1051-L1131 HydrophobicContact CB-CD1 4.49Å; L1054-L1131 HydrophobicContact CD1-CD1 3.5Å; L1054-L1131 HydrophobicContact CD2-CD1 3.98Å; L1054-L1131 HydrophobicContact CG-CD1 3.65Å; A1127-L1131 VanDerWaalsContact O-CB 3.29Å; A1127-L1131 WeakPolarHBondContact O-CB 3.41Å; A1127-L1131 WeakPolarHBondContact O-CG 3.28Å; A1127-L1131 PolarHBondContact O-N 3.42Å; V1129-L1131 PolarHBondContact O-N 3.12Å; L1131-I1134 PolarHBondContact O-N 3.49Å; L1131-G1135 PolarHBondContact O-N 3.36Å |
| 1132 | G | 87.4 | Confident | 82.7 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1128 V1129 G1135 A1136 C1178 | I1128-G1132 WeakPolarHBondContact O-CA 3.28Å; I1128-G1132 PolarHBondContact O-N 2.89Å; V1129-G1132 PolarHBondContact O-N 3.41Å; G1132-G1135 PolarHBondContact O-N 3.36Å; G1132-A1136 WeakPolarHBondContact O-CB 3.33Å; G1132-A1136 PolarHBondContact O-N 2.85Å; G1132-C1178 PolarHBondContact O-SG 3.06Å |
| 1133 | V | 89.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | W1016 L1031 L1032 L1035 V1129 L1130 G1135 A1136 E1137 | W1016-V1133 HydrophobicContact CD2-CG2 4.1Å; W1016-V1133 HydrophobicContact CE3-CG2 4.16Å; W1016-V1133 HydrophobicContact CH2-CB 4.44Å; W1016-V1133 HydrophobicContact CH2-CG1 3.93Å; W1016-V1133 HydrophobicContact CH2-CG2 3.55Å; W1016-V1133 HydrophobicContact CZ2-CG2 3.47Å; W1016-V1133 VanDerWaalsContact CZ2-CG2 3.47Å; W1016-V1133 HydrophobicContact CZ3-CG1 4.25Å; W1016-V1133 HydrophobicContact CZ3-CG2 3.89Å; L1031-V1133 HydrophobicContact CD2-CG1 4.42Å; L1031-V1133 HydrophobicContact CD2-CG2 4.36Å; L1032-V1133 HydrophobicContact CD2-CG1 3.81Å; L1035-V1133 HydrophobicContact CD1-CG1 3.75Å; V1129-V1133 HydrophobicContact CG1-CG2 4.49Å; V1129-V1133 VanDerWaalsContact O-CG2 3.28Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.34Å; V1129-V1133 PolarHBondContact O-N 3.31Å; L1130-V1133 PolarHBondContact O-N 3.02Å; V1133-G1135 VanDerWaalsContact C-N 3.33Å; V1133-G1135 PolarHBondContact O-N 3.3Å; V1133-A1136 PolarHBondContact O-N 3.35Å; V1133-E1137 PolarHBondContact O-N 3.49Å |
| 1134 | I | 88.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 177.2 | -68 | 169.6 | 0 | 0 | 0 | 110.9 | L1035 T1046 V1047 L1130 L1131 F1138 G1139 I1142 | L1035-I1134 HydrophobicContact CD1-CG1 3.93Å; L1035-I1134 HydrophobicContact CD2-CD1 3.98Å; L1035-I1134 HydrophobicContact CD2-CG1 3.87Å; T1046-I1134 HydrophobicContact CG2-CD1 4.06Å; V1047-I1134 HydrophobicContact CG2-CD1 4.15Å; V1047-I1134 HydrophobicContact CG2-CG2 3.95Å; L1130-I1134 VanDerWaalsContact O-CG1 3.31Å; L1130-I1134 WeakPolarHBondContact O-CG1 3.36Å; L1130-I1134 PolarHBondContact O-N 3.3Å; L1131-I1134 PolarHBondContact O-N 3.49Å; I1134-F1138 CarbonylContact O-C 3.59Å; I1134-F1138 WeakPolarHBondContact O-CA 3.32Å; I1134-F1138 WeakPolarHBondContact O-CB 3.4Å; I1134-F1138 PolarHBondContact O-N 3.49Å; I1134-G1139 PolarHBondContact O-N 3.09Å; I1134-I1142 HydrophobicContact CG2-CD1 3.43Å; I1134-I1142 VanDerWaalsContact CG2-CD1 3.43Å |
| 1135 | G | 85.8 | Confident | 77.6 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1131 G1132 V1133 G1139 | L1131-G1135 PolarHBondContact O-N 3.36Å; G1132-G1135 PolarHBondContact O-N 3.36Å; V1133-G1135 VanDerWaalsContact C-N 3.33Å; V1133-G1135 PolarHBondContact O-N 3.3Å; G1135-G1139 WeakPolarHBondContact O-CA 3.32Å; G1135-G1139 PolarHBondContact O-N 3.05Å |
| 1136 | A | 86.4 | Confident | 75.4 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.9 | -48.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1132 V1133 C1178 | G1132-A1136 WeakPolarHBondContact O-CB 3.33Å; G1132-A1136 PolarHBondContact O-N 2.85Å; V1133-A1136 PolarHBondContact O-N 3.35Å; A1136-C1178 PolarHBondContact N-SG 3.07Å |
| 1137 | E | 86.2 | Confident | 72.8 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -90.9 | -31.9 | -171.7 | -70.4 | -73.6 | 139.1 | 0 | 0 | 113.4 | L1032 V1133 | L1032-E1137 HydrophobicContact CD2-CG 3.78Å; V1133-E1137 PolarHBondContact O-N 3.49Å |
| 1138 | F | 86 | Confident | 70.1 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -122.8 | 7.1 | -172.2 | -52.7 | -82.5 | 0 | 0 | 0 | 113.7 | L1035 R1036 I1134 A1140 E1141 | L1035-F1138 HydrophobicContact CB-CE2 3.74Å; L1035-F1138 HydrophobicContact CB-CZ 4.07Å; L1035-F1138 HydrophobicContact CD1-CE2 4.23Å; R1036-F1138 HydrophobicContact CG-CE1 3.89Å; R1036-F1138 HydrophobicContact CG-CZ 3.7Å; I1134-F1138 CarbonylContact O-C 3.59Å; I1134-F1138 WeakPolarHBondContact O-CA 3.32Å; I1134-F1138 WeakPolarHBondContact O-CB 3.4Å; I1134-F1138 PolarHBondContact O-N 3.49Å; F1138-A1140 PolarHBondContact O-N 3.33Å; F1138-E1141 PolarHBondContact O-N 3.31Å |
| 1139 | G | 72.8 | Confident | 67.5 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1134 G1135 R1175 | I1134-G1139 PolarHBondContact O-N 3.09Å; G1135-G1139 WeakPolarHBondContact O-CA 3.32Å; G1135-G1139 PolarHBondContact O-N 3.05Å; G1139-R1175 PolarHBondContact O-NH2 3.28Å |
| 1140 | A | 69.2 | Low | 64.7 | Low | 85 Ų | 85 | 70.9 Ų | 70.9 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -25.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1138 | F1138-A1140 PolarHBondContact O-N 3.33Š|
| 1141 | E | 66.6 | Low | 62.1 | Low | 94 Ų | 94 | 75.3 Ų | 75.3 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.8 | -174.8 | -61.5 | 177.8 | 173.8 | 0 | 0 | 112.7 | Q1040 R1043 F1138 E1143 | Q1040-E1141 PolarHBondContact NE2-O 2.76Å; R1043-E1141 IonicContact CZ-OE2 3.55Å; R1043-E1141 IonicContact NE-OE2 3.52Å; R1043-E1141 IonicContact NH2-OE2 2.81Å; R1043-E1141 PolarHBondContact NH2-OE2 3.46Å; F1138-E1141 PolarHBondContact O-N 3.31Å; E1141-E1143 VanDerWaalsContact C-N 3.34Å |
| 1142 | I | 62.9 | Low | 59.2 | Low | 32 Ų | 32 | 87 Ų | 87 | 16% | 0.164 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -93.2 | 6.6 | -173.9 | -51.5 | 173 | 0 | 0 | 0 | 111.4 | I1134 Y1171 | I1134-I1142 HydrophobicContact CG2-CD1 3.43Å; I1134-I1142 VanDerWaalsContact CG2-CD1 3.43Å; I1142-Y1171 HydrophobicContact CG2-CD1 3.28Å; I1142-Y1171 HydrophobicContact CG2-CE1 3.44Å; I1142-Y1171 VanDerWaalsContact CG2-CE1 3.44Å; I1142-Y1171 HydrophobicContact CG2-CG 4.32Å |
| 1143 | E | 52.3 | Low | 56.5 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -67.4 | 136.7 | 175.4 | -72.3 | -168 | 176.5 | 0 | 0 | 111.7 | E1141 K1146 R1175 | E1141-E1143 VanDerWaalsContact C-N 3.34Å; E1143-K1146 IonicContact OE2-NZ 3.87Å; E1143-R1175 IonicContact OE1-CZ 3.52Å; E1143-R1175 IonicContact OE1-NH1 2.78Å; E1143-R1175 PolarHBondContact OE1-NH1 3.47Å; E1143-R1175 VanDerWaalsContact OE1-NH1 3.14Å; E1143-R1175 IonicContact OE1-NH2 3.88Å; E1143-R1175 PolarHBondContact OE1-NH2 3.43Å |
| 1144 | P | 44.3 | Very low | 53.6 | Low | 98 Ų | 98 | 94.1 Ų | 94.1 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 143.6 | 166.2 | 26.8 | -31.3 | 0 | 0 | 0 | 109.1 | K1146 | P1144-K1146 PolarHBondContact O-N 3.33Å; P1144-K1146 VanDerWaalsContact O-N 3.09Å |
| 1145 | P | 37.1 | Very low | 50.7 | Low | 126 Ų | 126 | 98 Ų | 98 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 121.2 | -178.1 | 22.2 | -31.4 | 0 | 0 | 0 | 109.6 | G1147 | P1145-G1147 PolarHBondContact O-N 3.31Š|
| 1146 | K | 38.8 | Very low | 48.1 | Very low | 179 Ų | 179 | 102.2 Ų | 102.2 | 78% | 0.778 | 65% | 0.648 | S | S | * | * | trans | -60.9 | 103.2 | 172 | -70.5 | 180 | -176.3 | 170.9 | 0 | 107.9 | E1143 P1144 S1148 | E1143-K1146 IonicContact OE2-NZ 3.87Å; P1144-K1146 PolarHBondContact O-N 3.33Å; P1144-K1146 VanDerWaalsContact O-N 3.09Å; K1146-S1148 PolarHBondContact O-N 3.46Å | ||
| 1147 | G | 33.5 | Very low | 45.4 | Very low | 69 Ų | 69 | 105.2 Ų | 105.2 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | -53.1 | 136.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1145 A1149 | P1145-G1147 PolarHBondContact O-N 3.31Å; G1147-A1149 PolarHBondContact O-N 3.12Å; G1147-A1149 VanDerWaalsContact O-N 3.08Å | ||
| 1148 | S | 31.1 | Very low | 42.7 | Very low | 121 Ų | 121 | 106.1 Ų | 106.1 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -49 | 112.4 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | K1146 R1150 | K1146-S1148 PolarHBondContact O-N 3.46Å; S1148-R1150 PolarHBondContact O-N 3.49Å; S1148-R1150 VanDerWaalsContact O-N 3.17Å | ||
| 1149 | A | 32.9 | Very low | 40 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | trans | -67.2 | 111.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | G1147 | G1147-A1149 PolarHBondContact O-N 3.12Å; G1147-A1149 VanDerWaalsContact O-N 3.08Å | ||
| 1150 | R | 30.6 | Very low | 37.7 | Very low | 248 Ų | 248 | 117.7 Ų | 117.7 | 94% | 0.936 | 75% | 0.745 | S | S | * | * | trans | -82.6 | 122.5 | 168.3 | -148.6 | 175.4 | -172.5 | 169.5 | 1.8 | 108.2 | S1148 | S1148-R1150 PolarHBondContact O-N 3.49Å; S1148-R1150 VanDerWaalsContact O-N 3.17Å | ||
| 1151 | A | 33.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -68.9 | 135.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1152 | R | 29.3 | Very low | 33.9 | Very low | 248 Ų | 248 | 122.7 Ų | 122.7 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | 144.6 | 146.8 | 147.5 | -86.7 | 178.5 | 173.9 | 177.4 | -0.7 | 109.5 | ||||
| 1153 | A | 29.3 | Very low | 32.2 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -173.5 | 135.6 | -25.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1154 | G | 29.4 | Very low | 31 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | 76.6 | 117.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1155 | G | 27.3 | Very low | 30.2 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 143.1 | 97.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1156 | A | 31.8 | Very low | 29.9 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -87.4 | 112.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1157 | V | 29.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 140.3 | 152.3 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1158 | P | 29.8 | Very low | 29.5 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -87.4 | 121.9 | -173.5 | 31.9 | -27.1 | 0 | 0 | 0 | 111.8 | ||||
| 1159 | E | 27.9 | Very low | 30.1 | Very low | 196 Ų | 196 | 119.3 Ų | 119.3 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -115 | 125.5 | 171.8 | -86.9 | -174.5 | 158.6 | 0 | 0 | 111.4 | ||||
| 1160 | G | 26 | Very low | 30.4 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | 79.7 | 98 | 121.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | G1162 | G1160-G1162 PolarHBondContact O-N 3.49Š| |||
| 1161 | F | 30.3 | Very low | 31 | Very low | 229 Ų | 229 | 108.1 Ų | 108.1 | 100% | 1.004 | 72% | 0.723 | S | S | * | * | trans | -63.1 | 108.4 | 149.7 | -88.9 | -96.3 | 0 | 0 | 0 | 109.1 | ||||
| 1162 | G | 24.3 | Very low | 31.6 | Very low | 54 Ų | 54 | 106.4 Ų | 106.4 | 56% | 0.557 | 71% | 0.705 | S | S | * | * | trans | -111.6 | 143.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | G1160 T1164 | G1160-G1162 PolarHBondContact O-N 3.49Å; G1162-T1164 PolarHBondContact O-N 3.42Å | ||
| 1163 | P | 29 | Very low | 32.3 | Very low | 138 Ų | 138 | 98.3 Ų | 98.3 | 90% | 0.896 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 120.3 | -175.1 | 30.1 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 1164 | T | 25.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 94.4 Ų | 94.4 | 72% | 0.718 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 134.2 | 167.7 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | G1162 | G1162-T1164 PolarHBondContact O-N 3.42Š|
| 1165 | S | 27.7 | Very low | 33.4 | Very low | 112 Ų | 112 | 95.8 Ų | 95.8 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.1 | -173.9 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | G1167 | S1165-G1167 VanDerWaalsContact C-N 3.31Å; S1165-G1167 PolarHBondContact O-N 2.78Å |
| 1166 | G | 30.4 | Very low | 34.2 | Very low | 83 Ų | 83 | 96.4 Ų | 96.4 | 86% | 0.856 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | -17.7 | 133.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 1167 | G | 31 | Very low | 34.7 | Very low | 41 Ų | 41 | 93.7 Ų | 93.7 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.8 | -15.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1165 Y1171 | S1165-G1167 VanDerWaalsContact C-N 3.31Å; S1165-G1167 PolarHBondContact O-N 2.78Å; G1167-Y1171 WeakPolarHBondContact O-CD2 3.46Å; G1167-Y1171 WeakPolarHBondContact O-CE2 3.35Å |
| 1168 | S | 33.1 | Very low | 34.9 | Very low | 74 Ų | 74 | 89.1 Ų | 89.1 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -87.6 | -26.2 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 113.8 | N1170 | S1168-N1170 PolarHBondContact O-N 2.99Š|
| 1169 | S | 43.9 | Very low | 35 | Very low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.7 | -32.6 | -173.5 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | Y1171 S1172 L1173 | S1169-Y1171 VanDerWaalsContact C-N 3.33Å; S1169-Y1171 PolarHBondContact O-N 3.48Å; S1169-S1172 WeakPolarHBondContact O-CB 3.04Å; S1169-S1172 PolarHBondContact O-N 3.3Å; S1169-L1173 PolarHBondContact O-N 3.03Å; S1169-L1173 VanDerWaalsContact O-N 3.16Å |
| 1170 | N | 40 | Very low | 35.2 | Very low | 64 Ų | 64 | 91.3 Ų | 91.3 | 34% | 0.342 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.5 | -33.3 | -175.5 | -65.5 | -11.5 | 0 | 0 | 0 | 112.3 | A1051 S1168 L1173 A1174 | A1051-N1170 HydrophobicContact CB-CB 4.38Å; S1168-N1170 PolarHBondContact O-N 2.99Å; N1170-L1173 PolarHBondContact O-N 3.17Å; N1170-A1174 PolarHBondContact O-N 3.39Å |
| 1171 | Y | 43.1 | Very low | 35.5 | Very low | 55 Ų | 55 | 92.5 Ų | 92.5 | 22% | 0.216 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -75.2 | -28.5 | 177.9 | -61.2 | -66.6 | 0 | 0 | 0 | 113.1 | K1044 V1047 D1048 I1142 G1167 S1169 | K1044-Y1171 WeakPolarHBondContact CE-OH 3.35Å; K1044-Y1171 HydrophobicContact CG-CE1 4.34Å; K1044-Y1171 WeakPolarHBondContact CG-OH 3.4Å; V1047-Y1171 HydrophobicContact CG1-CD1 4.4Å; V1047-Y1171 HydrophobicContact CG1-CE1 4.11Å; D1048-Y1171 PolarHBondContact OD1-OH 2.8Å; I1142-Y1171 HydrophobicContact CG2-CD1 3.28Å; I1142-Y1171 HydrophobicContact CG2-CE1 3.44Å; I1142-Y1171 VanDerWaalsContact CG2-CE1 3.44Å; I1142-Y1171 HydrophobicContact CG2-CG 4.32Å; G1167-Y1171 WeakPolarHBondContact O-CD2 3.46Å; G1167-Y1171 WeakPolarHBondContact O-CE2 3.35Å; S1169-Y1171 VanDerWaalsContact C-N 3.33Å; S1169-Y1171 PolarHBondContact O-N 3.48Å |
| 1172 | S | 44.2 | Very low | 35.5 | Very low | 57 Ų | 57 | 89.8 Ų | 89.8 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 171.5 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | S1169 A1174 R1175 H1176 | S1169-S1172 WeakPolarHBondContact O-CB 3.04Å; S1169-S1172 PolarHBondContact O-N 3.3Å; S1172-A1174 PolarHBondContact O-N 3.45Å; S1172-R1175 WeakPolarHBondContact O-CB 3.32Å; S1172-R1175 PolarHBondContact O-N 3.43Å; S1172-R1175 VanDerWaalsContact O-N 3.12Å; S1172-H1176 PolarHBondContact O-CD2 3.41Å; S1172-H1176 PolarHBondContact O-N 3.26Å; S1172-H1176 PolarHBondContact OG-CD2 3.19Å; S1172-H1176 VanDerWaalsContact OG-CD2 3.25Å; S1172-H1176 PolarHBondContact OG-NE2 3.24Å |
| 1173 | L | 44.9 | Very low | 35.8 | Very low | 77 Ų | 77 | 94.3 Ų | 94.3 | 40% | 0.403 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | -178.9 | -118.5 | 97.7 | 0 | 0 | 0 | 113.1 | L1054 S1169 N1170 R1175 H1176 T1177 | L1054-L1173 HydrophobicContact CB-CD2 4.37Å; L1054-L1173 HydrophobicContact CD1-CB 4.48Å; L1054-L1173 HydrophobicContact CD1-CD2 3.82Å; S1169-L1173 PolarHBondContact O-N 3.03Å; S1169-L1173 VanDerWaalsContact O-N 3.16Å; N1170-L1173 PolarHBondContact O-N 3.17Å; L1173-R1175 VanDerWaalsContact C-N 3.25Å; L1173-R1175 PolarHBondContact O-N 3.29Å; L1173-H1176 PolarHBondContact O-N 3.43Å; L1173-T1177 PolarHBondContact O-N 3.23Å; L1173-T1177 PolarHBondContact O-OG1 3.49Å |
| 1174 | A | 41.4 | Very low | 35.9 | Very low | 11 Ų | 11 | 94.4 Ų | 94.4 | 9% | 0.091 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -59.7 | -33.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1170 S1172 T1177 | N1170-A1174 PolarHBondContact O-N 3.39Å; S1172-A1174 PolarHBondContact O-N 3.45Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.48Å; A1174-T1177 PolarHBondContact O-OG1 2.62Å |
| 1175 | R | 41 | Very low | 36.1 | Very low | 116 Ų | 116 | 94.5 Ų | 94.5 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76 | -34.9 | 171.1 | -94.5 | -174.3 | -177.4 | 171.6 | 5.2 | 112.6 | G1139 E1143 S1172 L1173 C1178 K1179 | G1139-R1175 PolarHBondContact O-NH2 3.28Å; E1143-R1175 IonicContact OE1-CZ 3.52Å; E1143-R1175 IonicContact OE1-NH1 2.78Å; E1143-R1175 PolarHBondContact OE1-NH1 3.47Å; E1143-R1175 VanDerWaalsContact OE1-NH1 3.14Å; E1143-R1175 IonicContact OE1-NH2 3.88Å; E1143-R1175 PolarHBondContact OE1-NH2 3.43Å; S1172-R1175 WeakPolarHBondContact O-CB 3.32Å; S1172-R1175 PolarHBondContact O-N 3.43Å; S1172-R1175 VanDerWaalsContact O-N 3.12Å; L1173-R1175 VanDerWaalsContact C-N 3.25Å; L1173-R1175 PolarHBondContact O-N 3.29Å; R1175-C1178 WeakPolarHBondContact O-CB 3.31Å; R1175-C1178 PolarHBondContact O-N 3.09Å; R1175-K1179 PolarHBondContact O-N 3.11Å |
| 1176 | H | 42.8 | Very low | 36 | Very low | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.9 | -34.3 | 179 | -82 | -78.6 | 0 | 0 | 0 | 112.7 | S1172 L1173 C1178 K1179 Y1180 | S1172-H1176 PolarHBondContact O-CD2 3.41Å; S1172-H1176 PolarHBondContact O-N 3.26Å; S1172-H1176 PolarHBondContact OG-CD2 3.19Å; S1172-H1176 VanDerWaalsContact OG-CD2 3.25Å; S1172-H1176 PolarHBondContact OG-NE2 3.24Å; L1173-H1176 PolarHBondContact O-N 3.43Å; H1176-C1178 PolarHBondContact O-N 3.03Å; H1176-K1179 PolarHBondContact O-N 3.42Å; H1176-K1179 VanDerWaalsContact O-N 3.09Å; H1176-Y1180 PolarHBondContact O-N 3.24Å |
| 1177 | T | 42.5 | Very low | 36.2 | Very low | 46 Ų | 46 | 100.6 Ų | 100.6 | 28% | 0.282 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -28.4 | 168.1 | 33.1 | 0 | 0 | 0 | 0 | 113.1 | L1173 A1174 | L1173-T1177 PolarHBondContact O-N 3.23Å; L1173-T1177 PolarHBondContact O-OG1 3.49Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.48Å; A1174-T1177 PolarHBondContact O-OG1 2.62Å |
| 1178 | C | 34.7 | Very low | 36.5 | Very low | 34 Ų | 34 | 103.6 Ų | 103.6 | 23% | 0.23 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -76.8 | -28.1 | 172.7 | -76.4 | 0 | 0 | 0 | 0 | 113.9 | G1132 A1136 R1175 H1176 R1181 K1182 | G1132-C1178 PolarHBondContact O-SG 3.06Å; A1136-C1178 PolarHBondContact N-SG 3.07Å; R1175-C1178 WeakPolarHBondContact O-CB 3.31Å; R1175-C1178 PolarHBondContact O-N 3.09Å; H1176-C1178 PolarHBondContact O-N 3.03Å; C1178-R1181 PolarHBondContact O-N 3.31Å; C1178-K1182 PolarHBondContact O-N 3.43Å |
| 1179 | K | 31.9 | Very low | 36.7 | Very low | 157 Ų | 157 | 105.2 Ų | 105.2 | 68% | 0.683 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.7 | -32.2 | -177.6 | -93.7 | -175.7 | 175.6 | 179.7 | 0 | 113.1 | R1175 H1176 R1181 | R1175-K1179 PolarHBondContact O-N 3.11Å; H1176-K1179 PolarHBondContact O-N 3.42Å; H1176-K1179 VanDerWaalsContact O-N 3.09Å; K1179-R1181 VanDerWaalsContact C-N 3.3Å |
| 1180 | Y | 32.3 | Very low | 36.3 | Very low | 212 Ų | 212 | 107.1 Ų | 107.1 | 83% | 0.831 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.5 | 176.4 | -89 | -83.3 | 0 | 0 | 0 | 114.2 | H1176 | H1176-Y1180 PolarHBondContact O-N 3.24Š|
| 1181 | R | 32.2 | Very low | 36.1 | Very low | 101 Ų | 101 | 109.6 Ų | 109.6 | 38% | 0.381 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.4 | -1.4 | -173.7 | -129.8 | 179.6 | -172 | -178 | 7.2 | 114.7 | C1178 K1179 D1183 D1184 L1185 | C1178-R1181 PolarHBondContact O-N 3.31Å; K1179-R1181 VanDerWaalsContact C-N 3.3Å; R1181-D1183 PolarHBondContact O-N 3.5Å; R1181-D1184 PolarHBondContact O-N 2.96Å; R1181-L1185 HydrophobicContact CB-CD1 4.35Å; R1181-L1185 HydrophobicContact CG-CD1 3.94Å |
| 1182 | K | 29 | Very low | 35.6 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -16.8 | 177.6 | -125 | -177.3 | -177.6 | -176.5 | 0 | 113 | C1178 | C1178-K1182 PolarHBondContact O-N 3.43Š|
| 1183 | D | 31.6 | Very low | 35.1 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 80% | 0.797 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -11.7 | 178.7 | -63.8 | -22.9 | 0 | 0 | 0 | 113.3 | R1181 | R1181-D1183 PolarHBondContact O-N 3.5Š|
| 1184 | D | 31.8 | Very low | 34.4 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -120.4 | 6.2 | -177.2 | -80.1 | -27.2 | 0 | 0 | 0 | 114.8 | R1181 | R1181-D1184 PolarHBondContact O-N 2.96Š|
| 1185 | L | 29.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 128 Ų | 128 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | trans | -131 | 54.6 | -175.6 | -81.3 | 165.1 | 0 | 0 | 0 | 113.8 | R1181 | R1181-L1185 HydrophobicContact CB-CD1 4.35Å; R1181-L1185 HydrophobicContact CG-CD1 3.94Å | ||
| 1186 | T | 24.7 | Very low | 33.2 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | trans | -130.2 | 144.2 | 155.2 | 44.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1187 | P | 36.2 | Very low | 32.4 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 100% | 1.331 | 67% | 0.671 | S | S | * | * | trans | -58.6 | 0 | -161.2 | 23.8 | -35.3 | 0 | 0 | 0 | 115.8 |
Retrieved 1,187 of 1,187 residues in 278.8 ms
(Link to these results)