| 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 | 45 | Very low | 71.4 | Confident | 154 Ų | 154 | 70.3 Ų | 70.3 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | 0 | -174.3 | 0 | -66 | -171 | -172.1 | 0 | 0 | 107.1 | M522 D1249 | M1-M522 HydrophobicContact SD-CB 4.36Å; M1-M522 HydrophobicContact SD-CG 4.28Å; M1-D1249 WeakPolarHBondContact CA-OD2 3.33Å; M1-D1249 WeakPolarHBondContact CB-OD2 3.49Å; M1-D1249 VanDerWaalsContact N-CB 3.28Å; M1-D1249 PolarHBondContact N-OD2 2.89Å; M1-D1249 WeakPolarHBondContact O-CB 3.45Å; M1-D1249 PolarHBondContact O-N 3.12Å | |||
| 2 | E | 63.8 | Low | 72.4 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.7 | -175.5 | -88.9 | 173.8 | -173.1 | 0 | 0 | 106 | L519 Y521 F1246 | E2-L519 WeakPolarHBondContact OE2-CD1 3.49Å; E2-Y521 HydrophobicContact CB-CD1 4.37Å; E2-Y521 HydrophobicContact CB-CE1 4.41Å; E2-F1246 HydrophobicContact CB-CE1 4.19Å; E2-F1246 HydrophobicContact CB-CE2 3.6Å; E2-F1246 HydrophobicContact CB-CZ 3.3Å; E2-F1246 VanDerWaalsContact CD-CZ 3.44Å; E2-F1246 HydrophobicContact CG-CE1 3.79Å; E2-F1246 HydrophobicContact CG-CE2 4.15Å; E2-F1246 HydrophobicContact CG-CZ 3.34Å; E2-F1246 WeakPolarHBondContact OE2-CZ 3.26Å |
| 3 | S | 71.7 | Confident | 73.2 | Confident | 44 Ų | 44 | 66 Ų | 66 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.5 | -172.2 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | F1246 N1247 | S3-F1246 WeakPolarHBondContact O-CA 3.37Å; S3-N1247 PolarHBondContact O-N 3.31Å |
| 4 | W | 73 | Confident | 74.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 8% | 0.076 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.6 | 173.1 | -71.8 | 99.3 | 0 | 0 | 0 | 110.9 | F488 Y521 P535 V570 T1245 F1246 | W4-F488 HydrophobicContact CZ2-CZ 4.47Å; W4-Y521 AromaticContact NE1-CE1 3.96Å; W4-Y521 AromaticContact NE1-CZ 3.71Å; W4-P535 HydrophobicContact CB-CG 4.11Å; W4-P535 HydrophobicContact CD2-CG 3.43Å; W4-P535 VanDerWaalsContact CD2-CG 3.43Å; W4-P535 HydrophobicContact CE3-CG 3.75Å; W4-P535 HydrophobicContact CG-CG 3.62Å; W4-P535 HydrophobicContact CZ2-CG 4.47Å; W4-P535 HydrophobicContact CZ3-CG 4.37Å; W4-V570 HydrophobicContact CH2-CB 4.21Å; W4-V570 HydrophobicContact CH2-CG2 3.34Å; W4-V570 HydrophobicContact CZ2-CG2 4.5Å; W4-V570 HydrophobicContact CZ3-CB 3.99Å; W4-V570 HydrophobicContact CZ3-CG2 3.58Å; W4-T1245 CarbonylContact C-O 3.52Å; W4-T1245 VanDerWaalsContact CA-O 3.31Å; W4-T1245 WeakPolarHBondContact CA-O 3.35Å; W4-F1246 AromaticContact CD1-CD2 3.89Å; W4-F1246 HydrophobicContact CD2-CB 4.03Å; W4-F1246 AromaticContact CD2-CD2 3.77Å; W4-F1246 HydrophobicContact CD2-CD2 3.77Å; W4-F1246 HydrophobicContact CD2-CG 4.39Å; W4-F1246 AromaticContact CE2-CD2 3.47Å; W4-F1246 VanDerWaalsContact CE2-CD2 3.47Å; W4-F1246 HydrophobicContact CE3-CB 3.76Å; W4-F1246 HydrophobicContact CE3-CD2 4.37Å; W4-F1246 HydrophobicContact CG-CD2 4.05Å; W4-F1246 HydrophobicContact CH2-CB 3.68Å; W4-F1246 HydrophobicContact CH2-CD2 4.43Å; W4-F1246 HydrophobicContact CH2-CG 4.3Å; W4-F1246 HydrophobicContact CZ2-CB 3.95Å; W4-F1246 AromaticContact CZ2-CD2 3.84Å; W4-F1246 HydrophobicContact CZ2-CD2 3.84Å; W4-F1246 HydrophobicContact CZ2-CG 4.09Å; W4-F1246 HydrophobicContact CZ3-CB 3.61Å; W4-F1246 AromaticContact NE1-CD2 3.53Å; W4-F1246 AromaticContact NE1-CE2 3.81Å |
| 5 | K | 78.3 | Confident | 75.4 | Confident | 118 Ų | 118 | 57.5 Ų | 57.5 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.6 | 170.9 | 176.8 | -176.9 | 178.8 | -173.7 | 0 | 108.9 | Y1244 T1245 | K5-Y1244 CarbonylContact O-C 3.55Å; K5-Y1244 WeakPolarHBondContact O-CA 3.48Å; K5-T1245 HydrophobicContact CB-CG2 3.8Å; K5-T1245 HydrophobicContact CD-CG2 4.46Å; K5-T1245 HydrophobicContact CG-CG2 4.41Å; K5-T1245 PolarHBondContact N-O 3.37Å; K5-T1245 PolarHBondContact O-N 3.17Å |
| 6 | R | 78.4 | Confident | 76.5 | Confident | 109 Ų | 109 | 54.9 Ų | 54.9 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.7 | 170.9 | -170.6 | 176.6 | 177.1 | -160.9 | 0.8 | 109.6 | H533 D1242 Y1244 | R6-H533 HydrophobicContact CB-CB 4.09Å; R6-D1242 IonicContact CZ-OD1 3.4Å; R6-D1242 VanDerWaalsContact CZ-OD1 3.27Å; R6-D1242 IonicContact CZ-OD2 3.45Å; R6-D1242 IonicContact NE-OD1 2.6Å; R6-D1242 PolarHBondContact NE-OD1 3.07Å; R6-D1242 VanDerWaalsContact NE-OD1 3.14Å; R6-D1242 IonicContact NE-OD2 3.73Å; R6-D1242 PolarHBondContact NE-OD2 2.86Å; R6-D1242 IonicContact NH2-OD1 3.4Å; R6-D1242 PolarHBondContact NH2-OD1 3.25Å; R6-D1242 IonicContact NH2-OD2 2.69Å; R6-D1242 PolarHBondContact NH2-OD2 3.43Å; R6-Y1244 HydrophobicContact CB-CD1 3.93Å; R6-Y1244 HydrophobicContact CB-CE1 3.73Å; R6-Y1244 HydrophobicContact CG-CD1 4.3Å; R6-Y1244 HydrophobicContact CG-CE1 3.87Å |
| 7 | L | 78.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.7 | 174.9 | -56.6 | 173.9 | 0 | 0 | 0 | 108.5 | W51 F569 C1243 T1245 | L7-W51 HydrophobicContact CB-CH2 4.09Å; L7-W51 HydrophobicContact CD1-CH2 4.03Å; L7-W51 HydrophobicContact CD1-CZ2 3.68Å; L7-W51 HydrophobicContact CD2-CZ2 4.36Å; L7-W51 HydrophobicContact CG-CH2 4.43Å; L7-W51 HydrophobicContact CG-CZ2 4.41Å; L7-F569 HydrophobicContact CD1-CD1 3.76Å; L7-F569 HydrophobicContact CD1-CE1 3.77Å; L7-C1243 HydrophobicContact CB-CB 4.13Å; L7-C1243 HydrophobicContact CD1-CB 4.46Å; L7-C1243 PolarHBondContact N-O 2.88Å; L7-T1245 HydrophobicContact CD1-CG2 4.42Å; L7-T1245 HydrophobicContact CD2-CG2 4.05Å; L7-T1245 HydrophobicContact CG-CG2 4.33Å |
| 8 | T | 70.8 | Confident | 78.6 | Confident | 101 Ų | 101 | 51.9 Ų | 51.9 | 62% | 0.62 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87.1 | 169.7 | -179 | 56 | 0 | 0 | 0 | 0 | 111.5 | A10 | T8-A10 PolarHBondContact O-N 2.75Å; T8-A10 VanDerWaalsContact O-N 3.16Å |
| 9 | D | 71.4 | Confident | 79.5 | Confident | 140 Ų | 140 | 49.6 Ų | 49.6 | 75% | 0.749 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 62 | 28.5 | 167.1 | -41.9 | -49.3 | 0 | 0 | 0 | 114.6 | ||
| 10 | A | 76.7 | Confident | 80.3 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | trans | -74.5 | 145.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T8 W58 F571 S1241 C1243 | T8-A10 PolarHBondContact O-N 2.75Å; T8-A10 VanDerWaalsContact O-N 3.16Å; A10-W58 VanDerWaalsContact CA-NE1 3.31Å; A10-W58 HydrophobicContact CB-CZ2 4.49Å; A10-F571 HydrophobicContact CB-CD2 4.42Å; A10-F571 HydrophobicContact CB-CE2 4.08Å; A10-S1241 WeakPolarHBondContact CB-O 3.11Å; A10-C1243 HydrophobicContact CB-CB 3.78Å | ||
| 11 | P | 78.2 | Confident | 80.8 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | trans | -70.7 | -175.2 | -166 | 29.3 | -36.6 | 0 | 0 | 0 | 110.6 | S13 F49 W58 F571 S1241 | P11-S13 PolarHBondContact O-N 2.97Å; P11-F49 HydrophobicContact CB-CD1 3.5Å; P11-F49 VanDerWaalsContact CB-CD1 3.5Å; P11-F49 HydrophobicContact CB-CE1 3.83Å; P11-F49 HydrophobicContact CB-CG 3.97Å; P11-F49 HydrophobicContact CG-CB 4.12Å; P11-F49 HydrophobicContact CG-CD1 3.96Å; P11-F49 HydrophobicContact CG-CG 3.92Å; P11-W58 VanDerWaalsContact CD-CD2 3.44Å; P11-W58 VanDerWaalsContact CD-CZ2 3.48Å; P11-W58 HydrophobicContact CG-CD2 3.97Å; P11-W58 HydrophobicContact CG-CE3 3.99Å; P11-W58 HydrophobicContact CG-CH2 4.09Å; P11-W58 HydrophobicContact CG-CZ2 4.07Å; P11-W58 HydrophobicContact CG-CZ3 4.05Å; P11-F571 HydrophobicContact CG-CE1 4.49Å; P11-F571 HydrophobicContact CG-CE2 3.85Å; P11-F571 HydrophobicContact CG-CZ 3.62Å; P11-S1241 WeakPolarHBondContact O-CA 3.35Å; P11-S1241 WeakPolarHBondContact O-CB 3.32Å | ||
| 12 | I | 83.1 | Confident | 82.8 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 35% | 0.354 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -47.4 | 132.2 | -176.5 | -60.4 | 175 | 0 | 0 | 0 | 112.2 | R14 N33 M36 | I12-R14 PolarHBondContact O-NE 2.79Å; I12-R14 VanDerWaalsContact O-NE 3.1Å; I12-N33 WeakPolarHBondContact CG2-ND2 3.48Å; I12-M36 HydrophobicContact CD1-CE 3.55Å; I12-M36 HydrophobicContact CG2-CE 4.22Å |
| 13 | S | 82.5 | Confident | 83.6 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -57.7 | 139.5 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | P11 N33 E1239 L1240 | P11-S13 PolarHBondContact O-N 2.97Å; S13-N33 WeakPolarHBondContact O-CB 3.21Å; S13-N33 VanDerWaalsContact O-CG 3.24Å; S13-E1239 WeakPolarHBondContact CB-O 3.42Å; S13-L1240 VanDerWaalsContact CA-C 3.49Å; S13-L1240 WeakPolarHBondContact CA-O 3.29Å; S13-L1240 WeakPolarHBondContact CB-O 3.49Å | ||
| 14 | R | 90.1 | Very high | 84.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | trans | -161.4 | 164.6 | -175.8 | 63.1 | -174.1 | 72.3 | -140.4 | -13.8 | 114.5 | I12 H17 G30 F32 D47 F49 F571 G573 L1240 | I12-R14 PolarHBondContact O-NE 2.79Å; I12-R14 VanDerWaalsContact O-NE 3.1Å; R14-H17 HydrophobicContact CG-CB 4.26Å; R14-G30 VanDerWaalsContact CD-O 3.32Å; R14-G30 WeakPolarHBondContact CD-O 3.28Å; R14-G30 PolarHBondContact NH1-O 2.86Å; R14-F32 CarbonylContact C-O 3.53Å; R14-F32 WeakPolarHBondContact CA-O 3.07Å; R14-F32 WeakPolarHBondContact CB-O 3.28Å; R14-D47 IonicContact CZ-OD2 3.37Å; R14-D47 VanDerWaalsContact CZ-OD2 3.25Å; R14-D47 IonicContact NH1-OD1 3.6Å; R14-D47 PolarHBondContact NH1-OD1 2.94Å; R14-D47 VanDerWaalsContact NH1-OD1 3.08Å; R14-D47 IonicContact NH1-OD2 3.46Å; R14-D47 PolarHBondContact NH1-OD2 3.1Å; R14-D47 IonicContact NH2-OD2 2.71Å; R14-D47 PolarHBondContact NH2-OD2 2.74Å; R14-F49 VanDerWaalsContact NH1-CE2 3.27Å; R14-F571 HydrophobicContact CG-CE1 3.82Å; R14-F571 HydrophobicContact CG-CZ 4.35Å; R14-G573 PolarHBondContact O-N 2.85Å; R14-L1240 PolarHBondContact N-O 2.84Å | ||
| 15 | V | 90.1 | Very high | 85 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -137.4 | 164.7 | 172.9 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | H17 G31 F32 R540 G573 T574 E1239 | V15-H17 PolarHBondContact O-N 3.26Å; V15-H17 VanDerWaalsContact O-N 3.1Å; V15-G31 CarbonylContact O-C 3.59Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.22Å; V15-F32 HydrophobicContact CG2-CB 4.1Å; V15-F32 HydrophobicContact CG2-CD1 4.08Å; V15-F32 PolarHBondContact N-O 2.61Å; V15-F32 PolarHBondContact O-N 3.05Å; V15-R540 HydrophobicContact CB-CB 3.84Å; V15-R540 HydrophobicContact CB-CG 4.49Å; V15-R540 HydrophobicContact CG1-CB 4.2Å; V15-G573 VanDerWaalsContact CG1-C 3.45Å; V15-T574 HydrophobicContact CG1-CG2 3.57Å; V15-E1239 HydrophobicContact CG1-CG 4.22Å |
| 16 | N | 92.3 | Very high | 85.7 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 57.2 | 25.2 | 178.7 | -81.4 | 0.1 | 0 | 0 | 0 | 112.9 | F95 G96 R540 | N16-F95 HydrophobicContact CB-CB 3.88Å; N16-F95 HydrophobicContact CB-CD2 4.25Å; N16-F95 WeakPolarHBondContact O-CA 3.35Å; N16-G96 PolarHBondContact O-N 3.08Å; N16-R540 PolarHBondContact ND2-NH1 2.85Å; N16-R540 PolarHBondContact ND2-NH2 3.01Å; N16-R540 WeakPolarHBondContact OD1-CD 3.15Å; N16-R540 VanDerWaalsContact OD1-CG 3.26Å; N16-R540 WeakPolarHBondContact OD1-CG 3.29Å; N16-R540 PolarHBondContact OD1-NE 3.01Å |
| 17 | H | 95.1 | Very high | 86.5 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | trans | -83.1 | 170.4 | 168.2 | 55.4 | -71.1 | 0 | 0 | 0 | 110.4 | R14 V15 V28 F29 G30 R540 V542 F571 | R14-H17 HydrophobicContact CG-CB 4.26Å; V15-H17 PolarHBondContact O-N 3.26Å; V15-H17 VanDerWaalsContact O-N 3.1Å; H17-V28 HydrophobicContact CB-CG1 4.22Å; H17-F29 WeakPolarHBondContact CB-O 3.4Å; H17-G30 VanDerWaalsContact CB-O 3.28Å; H17-G30 WeakPolarHBondContact CB-O 3.07Å; H17-R540 PolarHBondContact CE1-O 3.45Å; H17-R540 VanDerWaalsContact CE1-O 3.3Å; H17-V542 VanDerWaalsContact CD2-CG2 3.47Å; H17-V542 WeakPolarHBondContact CD2-CG2 3.33Å; H17-V542 WeakPolarHBondContact O-CG2 3.32Å; H17-F571 AromaticContact CD2-CD1 3.87Å; H17-F571 PolarHBondContact CE1-O 2.75Å; H17-F571 AromaticContact NE2-CD1 3.58Å; H17-F571 PolarHBondContact NE2-O 2.9Å | ||
| 18 | Q | 96.3 | Very high | 87.3 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.5 | 168.4 | -175.2 | 70 | -9.1 | 0 | 0 | 110.3 | V28 F29 V99 | Q18-V28 WeakPolarHBondContact O-CA 3.31Å; Q18-F29 PolarHBondContact N-O 2.72Å; Q18-F29 PolarHBondContact O-N 2.66Å; Q18-V99 HydrophobicContact CB-CB 4.24Å; Q18-V99 HydrophobicContact CB-CG2 4.14Å; Q18-V99 HydrophobicContact CG-CB 3.77Å; Q18-V99 HydrophobicContact CG-CG2 4.23Å; Q18-V99 WeakPolarHBondContact CG-O 3.09Å; Q18-V99 PolarHBondContact NE2-O 2.83Å; Q18-V99 VanDerWaalsContact NE2-O 3.12Å |
| 19 | A | 95.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I26 F27 V28 V542 | A19-I26 HydrophobicContact CB-CG2 4.39Å; A19-F27 CarbonylContact C-O 3.55Å; A19-F27 WeakPolarHBondContact CA-O 3.45Å; A19-F27 WeakPolarHBondContact CB-O 3.32Å; A19-V28 HydrophobicContact CB-CG2 3.94Å; A19-V542 HydrophobicContact CB-CB 4.28Å; A19-V542 HydrophobicContact CB-CG1 3.58Å |
| 20 | I | 94.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 15.6 Ų | 15.6 | 5% | 0.046 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.9 | 173.5 | 77.7 | -168.8 | 0 | 0 | 0 | 109.7 | L22 I26 F27 F29 V99 A101 G106 C544 | I20-L22 HydrophobicContact CD1-CD1 3.9Å; I20-L22 HydrophobicContact CD1-CD2 4.16Å; I20-L22 HydrophobicContact CD1-CG 3.89Å; I20-L22 HydrophobicContact CG1-CD1 4.43Å; I20-L22 HydrophobicContact CG1-CD2 4.44Å; I20-L22 HydrophobicContact CG1-CG 3.98Å; I20-I26 WeakPolarHBondContact O-CA 3.13Å; I20-F27 HydrophobicContact CG1-CB 4.45Å; I20-F27 PolarHBondContact N-O 2.85Å; I20-F27 PolarHBondContact O-N 3.37Å; I20-F29 HydrophobicContact CD1-CE2 3.71Å; I20-F29 HydrophobicContact CD1-CZ 3.88Å; I20-F29 HydrophobicContact CG1-CE2 3.76Å; I20-F29 HydrophobicContact CG1-CZ 4.25Å; I20-F29 HydrophobicContact CG2-CE2 4.42Å; I20-V99 HydrophobicContact CD1-CG1 4Å; I20-V99 HydrophobicContact CG2-CB 4.13Å; I20-V99 HydrophobicContact CG2-CG1 3.92Å; I20-V99 VanDerWaalsContact CG2-O 3.31Å; I20-V99 WeakPolarHBondContact CG2-O 3.16Å; I20-A101 HydrophobicContact CB-CB 4.13Å; I20-A101 HydrophobicContact CD1-CB 4.36Å; I20-A101 HydrophobicContact CG1-CB 4.48Å; I20-G106 VanDerWaalsContact CD1-CA 3.43Å; I20-C544 VanDerWaalsContact C-SG 3.53Å |
| 21 | C | 91.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 4% | 0.041 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.2 | 171.6 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | E23 R25 N367 C544 | C21-E23 PolarHBondContact SG-O 3.34Å; C21-R25 CarbonylContact C-O 3.54Å; C21-R25 WeakPolarHBondContact CA-O 3.27Å; C21-N367 VanDerWaalsContact O-CG 3.3Å; C21-N367 PolarHBondContact O-ND2 2.85Å; C21-N367 PolarHBondContact O-OD1 3.34Å; C21-C544 PolarHBondContact N-SG 2.86Å |
| 22 | L | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.1 | 170.3 | -64.2 | 179.7 | 0 | 0 | 0 | 110.5 | I20 D24 R25 F27 A101 F125 P127 N367 | I20-L22 HydrophobicContact CD1-CD1 3.9Å; I20-L22 HydrophobicContact CD1-CD2 4.16Å; I20-L22 HydrophobicContact CD1-CG 3.89Å; I20-L22 HydrophobicContact CG1-CD1 4.43Å; I20-L22 HydrophobicContact CG1-CD2 4.44Å; I20-L22 HydrophobicContact CG1-CG 3.98Å; L22-D24 PolarHBondContact O-N 3.28Å; L22-R25 PolarHBondContact N-O 3.24Å; L22-R25 WeakPolarHBondContact O-CB 3.48Å; L22-R25 PolarHBondContact O-N 3.49Å; L22-F27 HydrophobicContact CB-CD2 4.02Å; L22-F27 HydrophobicContact CB-CE2 3.86Å; L22-F27 HydrophobicContact CD1-CD2 4.21Å; L22-F27 HydrophobicContact CD1-CE2 4.31Å; L22-F27 HydrophobicContact CG-CD2 4.27Å; L22-F27 HydrophobicContact CG-CE2 4.48Å; L22-A101 HydrophobicContact CD2-CB 3.83Å; L22-F125 HydrophobicContact CD1-CD1 4.23Å; L22-F125 HydrophobicContact CD1-CE1 4.4Å; L22-P127 HydrophobicContact CD1-CB 4.11Å; L22-P127 HydrophobicContact CD1-CG 3.87Å; L22-N367 WeakPolarHBondContact CA-OD1 3.33Å |
| 23 | E | 80.3 | Confident | 90.7 | Very high | 39 Ų | 39 | 12.6 Ų | 12.6 | 18% | 0.182 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -116.8 | -172.6 | -53.8 | 176.9 | 142.1 | 0 | 0 | 111 | C21 R25 L132 N367 C369 | C21-E23 PolarHBondContact SG-O 3.34Å; E23-R25 IonicContact OE2-CZ 3.81Å; E23-R25 IonicContact OE2-NH2 2.69Å; E23-R25 PolarHBondContact OE2-NH2 2.8Å; E23-L132 WeakPolarHBondContact OE1-CD2 3.33Å; E23-N367 VanDerWaalsContact N-CG 3.28Å; E23-N367 PolarHBondContact N-OD1 3.3Å; E23-C369 PolarHBondContact OE1-SG 3.36Å; E23-C369 VanDerWaalsContact OE1-SG 3.33Å |
| 24 | D | 85.4 | Confident | 90.4 | Very high | 38 Ų | 38 | 15 Ų | 15 | 20% | 0.203 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 28.8 | 178.9 | -60.4 | -47.2 | 0 | 0 | 0 | 112.6 | L22 I53 H54 Y546 | L22-D24 PolarHBondContact O-N 3.28Å; D24-I53 VanDerWaalsContact O-CB 3.24Å; D24-I53 WeakPolarHBondContact O-CB 3.4Å; D24-I53 VanDerWaalsContact O-CG1 3.31Å; D24-I53 WeakPolarHBondContact O-CG1 3.45Å; D24-I53 PolarHBondContact O-N 3.39Å; D24-H54 VanDerWaalsContact CB-NE2 3.27Å; D24-H54 WeakPolarHBondContact CB-NE2 3.29Å; D24-H54 IonicContact OD1-NE2 3.95Å; D24-H54 IonicContact OD2-CD2 3.14Å; D24-H54 IonicContact OD2-CE1 3.35Å; D24-H54 IonicContact OD2-NE2 3.08Å; D24-H54 PolarHBondContact OD2-NE2 3.45Å; D24-Y546 HydrophobicContact CB-CE2 4.45Å; D24-Y546 VanDerWaalsContact OD1-CE2 3.24Å; D24-Y546 WeakPolarHBondContact OD1-CE2 3.43Å; D24-Y546 PolarHBondContact OD1-OH 3.32Å |
| 25 | R | 89 | Confident | 89.5 | Confident | 16 Ų | 16 | 22.2 Ų | 22.2 | 6% | 0.06 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.9 | -175.8 | -66.2 | 170.2 | -77.5 | 172.9 | -1.9 | 111.2 | C21 L22 E23 F27 M50 W51 | C21-R25 CarbonylContact C-O 3.54Å; C21-R25 WeakPolarHBondContact CA-O 3.27Å; L22-R25 PolarHBondContact N-O 3.24Å; L22-R25 WeakPolarHBondContact O-CB 3.48Å; L22-R25 PolarHBondContact O-N 3.49Å; E23-R25 IonicContact OE2-CZ 3.81Å; E23-R25 IonicContact OE2-NH2 2.69Å; E23-R25 PolarHBondContact OE2-NH2 2.8Å; R25-F27 HydrophobicContact CB-CD2 4.38Å; R25-F27 HydrophobicContact CB-CE2 3.68Å; R25-F27 HydrophobicContact CB-CZ 4.22Å; R25-M50 HydrophobicContact CB-CG 4.23Å; R25-M50 HydrophobicContact CB-SD 4.47Å; R25-M50 VanDerWaalsContact CD-SD 3.5Å; R25-M50 HydrophobicContact CG-CG 4.44Å; R25-M50 HydrophobicContact CG-SD 4.21Å; R25-W51 CarbonylContact C-O 3.51Å; R25-W51 VanDerWaalsContact CA-O 3.31Å; R25-W51 WeakPolarHBondContact CA-O 3.36Å |
| 26 | I | 92.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 175 | -58.1 | 175.5 | 0 | 0 | 0 | 107.8 | A19 I20 M50 W51 I53 C544 F569 | A19-I26 HydrophobicContact CB-CG2 4.39Å; I20-I26 WeakPolarHBondContact O-CA 3.13Å; I26-M50 CarbonylContact O-C 3.59Å; I26-M50 WeakPolarHBondContact O-CA 3.31Å; I26-W51 HydrophobicContact CB-CB 4.25Å; I26-W51 PolarHBondContact N-O 2.99Å; I26-W51 PolarHBondContact O-N 3.42Å; I26-I53 HydrophobicContact CD1-CD1 4.28Å; I26-I53 HydrophobicContact CD1-CG1 4.46Å; I26-I53 HydrophobicContact CG1-CD1 4.06Å; I26-I53 HydrophobicContact CG1-CG1 4.33Å; I26-C544 HydrophobicContact CG2-CB 4.3Å; I26-F569 HydrophobicContact CD1-CB 3.52Å; I26-F569 HydrophobicContact CD1-CD1 3.88Å; I26-F569 HydrophobicContact CD1-CD2 3.27Å; I26-F569 HydrophobicContact CD1-CE1 4.39Å; I26-F569 HydrophobicContact CD1-CE2 3.86Å; I26-F569 HydrophobicContact CD1-CG 3.27Å; I26-F569 HydrophobicContact CD1-CZ 4.38Å |
| 27 | F | 94.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.9 | 175.9 | -66.6 | -92 | 0 | 0 | 0 | 109.2 | A19 I20 L22 R25 F29 T48 F49 M50 L61 F125 P127 | A19-F27 CarbonylContact C-O 3.55Å; A19-F27 WeakPolarHBondContact CA-O 3.45Å; A19-F27 WeakPolarHBondContact CB-O 3.32Å; I20-F27 HydrophobicContact CG1-CB 4.45Å; I20-F27 PolarHBondContact N-O 2.85Å; I20-F27 PolarHBondContact O-N 3.37Å; L22-F27 HydrophobicContact CB-CD2 4.02Å; L22-F27 HydrophobicContact CB-CE2 3.86Å; L22-F27 HydrophobicContact CD1-CD2 4.21Å; L22-F27 HydrophobicContact CD1-CE2 4.31Å; L22-F27 HydrophobicContact CG-CD2 4.27Å; L22-F27 HydrophobicContact CG-CE2 4.48Å; R25-F27 HydrophobicContact CB-CD2 4.38Å; R25-F27 HydrophobicContact CB-CE2 3.68Å; R25-F27 HydrophobicContact CB-CZ 4.22Å; F27-F29 HydrophobicContact CB-CE1 4.18Å; F27-F29 HydrophobicContact CB-CE2 3.58Å; F27-F29 HydrophobicContact CB-CZ 3.38Å; F27-F29 HydrophobicContact CG-CZ 4.24Å; F27-T48 HydrophobicContact CD1-CG2 4.08Å; F27-F49 CarbonylContact C-O 3.53Å; F27-F49 VanDerWaalsContact CA-O 3.28Å; F27-F49 WeakPolarHBondContact CA-O 3.26Å; F27-M50 HydrophobicContact CD1-CB 4.02Å; F27-M50 HydrophobicContact CD1-CG 4.06Å; F27-M50 HydrophobicContact CE1-CB 3.82Å; F27-M50 HydrophobicContact CE1-CG 3.56Å; F27-M50 HydrophobicContact CE1-SD 3.67Å; F27-M50 HydrophobicContact CE2-CG 4.37Å; F27-M50 HydrophobicContact CZ-CB 4.49Å; F27-M50 HydrophobicContact CZ-CG 3.74Å; F27-M50 HydrophobicContact CZ-SD 3.59Å; F27-M50 VanDerWaalsContact CZ-SD 3.59Å; F27-L61 HydrophobicContact CD1-CD1 4.25Å; F27-L61 HydrophobicContact CE1-CD1 4.07Å; F27-F125 AromaticContact CD1-CE1 3.59Å; F27-F125 HydrophobicContact CD1-CE1 3.59Å; F27-F125 AromaticContact CD1-CZ 3.69Å; F27-F125 HydrophobicContact CD1-CZ 3.69Å; F27-F125 HydrophobicContact CD2-CE1 4.35Å; F27-F125 AromaticContact CE1-CE1 3.72Å; F27-F125 HydrophobicContact CE1-CE1 3.72Å; F27-F125 AromaticContact CE1-CZ 3.68Å; F27-F125 HydrophobicContact CE1-CZ 3.68Å; F27-F125 HydrophobicContact CE2-CE1 4.47Å; F27-F125 AromaticContact CG-CE1 3.91Å; F27-F125 HydrophobicContact CG-CE1 3.91Å; F27-F125 HydrophobicContact CG-CZ 4.46Å; F27-F125 HydrophobicContact CZ-CE1 4.16Å; F27-F125 HydrophobicContact CZ-CZ 4.46Å; F27-P127 HydrophobicContact CE2-CB 4.13Å; F27-P127 HydrophobicContact CZ-CB 3.81Å |
| 28 | V | 95.4 | Very high | 86 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.5 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | H17 Q18 A19 T48 F49 W58 F571 | H17-V28 HydrophobicContact CB-CG1 4.22Å; Q18-V28 WeakPolarHBondContact O-CA 3.31Å; A19-V28 HydrophobicContact CB-CG2 3.94Å; V28-T48 WeakPolarHBondContact O-CA 3.48Å; V28-F49 HydrophobicContact CB-CB 4.47Å; V28-F49 PolarHBondContact N-O 2.69Å; V28-F49 PolarHBondContact O-N 3.34Å; V28-W58 HydrophobicContact CG2-CH2 3.76Å; V28-W58 HydrophobicContact CG2-CZ3 4.08Å; V28-F571 HydrophobicContact CB-CD1 4.37Å; V28-F571 HydrophobicContact CB-CE1 4.49Å; V28-F571 HydrophobicContact CG1-CD1 3.8Å; V28-F571 HydrophobicContact CG1-CE1 3.79Å; V28-F571 HydrophobicContact CG2-CD1 3.81Å; V28-F571 HydrophobicContact CG2-CE1 4.33Å; V28-F571 HydrophobicContact CG2-CG 4.38Å |
| 29 | F | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.3 | -173.8 | -53.3 | -86.6 | 0 | 0 | 0 | 111.1 | H17 Q18 I20 F27 I46 D47 T48 H97 V99 F125 W161 | H17-F29 WeakPolarHBondContact CB-O 3.4Å; Q18-F29 PolarHBondContact N-O 2.72Å; Q18-F29 PolarHBondContact O-N 2.66Å; I20-F29 HydrophobicContact CD1-CE2 3.71Å; I20-F29 HydrophobicContact CD1-CZ 3.88Å; I20-F29 HydrophobicContact CG1-CE2 3.76Å; I20-F29 HydrophobicContact CG1-CZ 4.25Å; I20-F29 HydrophobicContact CG2-CE2 4.42Å; F27-F29 HydrophobicContact CB-CE1 4.18Å; F27-F29 HydrophobicContact CB-CE2 3.58Å; F27-F29 HydrophobicContact CB-CZ 3.38Å; F27-F29 HydrophobicContact CG-CZ 4.24Å; F29-I46 HydrophobicContact CB-CD1 4.21Å; F29-D47 WeakPolarHBondContact CA-O 3.42Å; F29-T48 HydrophobicContact CD1-CG2 3.7Å; F29-T48 HydrophobicContact CE1-CG2 3.54Å; F29-T48 HydrophobicContact CZ-CG2 4.42Å; F29-H97 PolarHBondContact O-CE1 3.39Å; F29-H97 VanDerWaalsContact O-CE1 3.27Å; F29-H97 PolarHBondContact O-NE2 3.47Å; F29-V99 HydrophobicContact CB-CG2 4.03Å; F29-V99 HydrophobicContact CD2-CB 4.03Å; F29-V99 HydrophobicContact CD2-CG1 3.96Å; F29-V99 HydrophobicContact CD2-CG2 3.87Å; F29-V99 HydrophobicContact CE2-CB 4.35Å; F29-V99 HydrophobicContact CE2-CG1 3.83Å; F29-V99 HydrophobicContact CG-CG2 4.01Å; F29-V99 HydrophobicContact CZ-CG1 4.33Å; F29-F125 HydrophobicContact CE1-CB 4.27Å; F29-F125 AromaticContact CE1-CD1 3.79Å; F29-F125 HydrophobicContact CE1-CD1 3.79Å; F29-F125 HydrophobicContact CE1-CD2 4.08Å; F29-F125 HydrophobicContact CE1-CE1 4.08Å; F29-F125 HydrophobicContact CE1-CE2 4.36Å; F29-F125 AromaticContact CE1-CG 3.78Å; F29-F125 HydrophobicContact CE1-CG 3.78Å; F29-F125 HydrophobicContact CE1-CZ 4.36Å; F29-F125 AromaticContact CZ-CD1 3.73Å; F29-F125 HydrophobicContact CZ-CD1 3.73Å; F29-F125 HydrophobicContact CZ-CE1 4.06Å; F29-F125 HydrophobicContact CZ-CG 4.14Å; F29-W161 AromaticContact CD1-CH2 3.75Å; F29-W161 HydrophobicContact CD1-CH2 3.75Å; F29-W161 AromaticContact CD1-CZ2 3.73Å; F29-W161 HydrophobicContact CD1-CZ2 3.73Å; F29-W161 AromaticContact CE1-CH2 3.91Å; F29-W161 HydrophobicContact CE1-CH2 3.91Å; F29-W161 AromaticContact CE1-CZ2 3.98Å; F29-W161 HydrophobicContact CE1-CZ2 3.98Å |
| 30 | G | 93.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | 55.5 | -149.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R14 H17 D47 | R14-G30 VanDerWaalsContact CD-O 3.32Å; R14-G30 WeakPolarHBondContact CD-O 3.28Å; R14-G30 PolarHBondContact NH1-O 2.86Å; H17-G30 VanDerWaalsContact CB-O 3.28Å; H17-G30 WeakPolarHBondContact CB-O 3.07Å; G30-D47 WeakPolarHBondContact CA-OD1 3.17Å; G30-D47 PolarHBondContact N-O 2.82Å; G30-D47 PolarHBondContact N-OD1 2.97Å | ||
| 31 | G | 91.7 | Very high | 82.5 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | trans | 104.8 | 162.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | V15 R94 | V15-G31 CarbonylContact O-C 3.59Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.22Å; G31-R94 PolarHBondContact N-O 3.22Å | ||
| 32 | F | 87.5 | Confident | 81.6 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 137.8 | 178.5 | 177.2 | -94.3 | 0 | 0 | 0 | 109.9 | R14 V15 F37 F95 E1239 | R14-F32 CarbonylContact C-O 3.53Å; R14-F32 WeakPolarHBondContact CA-O 3.07Å; R14-F32 WeakPolarHBondContact CB-O 3.28Å; V15-F32 HydrophobicContact CG2-CB 4.1Å; V15-F32 HydrophobicContact CG2-CD1 4.08Å; V15-F32 PolarHBondContact N-O 2.61Å; V15-F32 PolarHBondContact O-N 3.05Å; F32-F37 HydrophobicContact CE2-CD2 4.18Å; F32-F37 HydrophobicContact CZ-CD2 4.02Å; F32-F95 HydrophobicContact CB-CB 4.04Å; F32-F95 HydrophobicContact CB-CD1 3.98Å; F32-F95 HydrophobicContact CB-CD2 4.4Å; F32-F95 HydrophobicContact CB-CG 3.91Å; F32-F95 HydrophobicContact CD2-CD1 4.24Å; F32-F95 HydrophobicContact CD2-CE1 4.05Å; F32-F95 HydrophobicContact CD2-CZ 4.46Å; F32-E1239 WeakPolarHBondContact CD1-OE1 3.01Å; F32-E1239 VanDerWaalsContact CE1-OE1 3.31Å; F32-E1239 WeakPolarHBondContact CE1-OE1 3.47Å |
| 33 | N | 83.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -133.7 | 123.6 | 169.8 | 174.2 | 5.8 | 0 | 0 | 0 | 109.1 | I12 S13 Q35 M36 E1239 | I12-N33 WeakPolarHBondContact CG2-ND2 3.48Å; S13-N33 WeakPolarHBondContact O-CB 3.21Å; S13-N33 VanDerWaalsContact O-CG 3.24Å; N33-Q35 PolarHBondContact O-N 2.84Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.42Å; N33-Q35 PolarHBondContact OD1-N 2.67Å; N33-M36 HydrophobicContact CB-CB 4.32Å; N33-M36 HydrophobicContact CB-CG 4.36Å; N33-M36 HydrophobicContact CB-SD 4.44Å; N33-M36 WeakPolarHBondContact O-CA 3.5Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 2.68Å; N33-E1239 WeakPolarHBondContact CA-OE2 3.29Å; N33-E1239 PolarHBondContact OD1-OE2 3.09Å; N33-E1239 VanDerWaalsContact OD1-OE2 3.11Å | ||
| 34 | S | 74.6 | Confident | 81.3 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 47% | 0.469 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -55.1 | -30.8 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | M36 F37 E1239 | S34-M36 PolarHBondContact O-N 3.22Å; S34-F37 WeakPolarHBondContact O-CB 3.06Å; S34-F37 PolarHBondContact O-N 2.9Å; S34-E1239 WeakPolarHBondContact CB-OE2 3.06Å; S34-E1239 PolarHBondContact N-OE1 3.16Å; S34-E1239 PolarHBondContact N-OE2 2.85Å; S34-E1239 PolarHBondContact OG-OE2 3.28Å |
| 35 | Q | 71.5 | Confident | 81.6 | Confident | 154 Ų | 154 | 46.1 Ų | 46.1 | 72% | 0.72 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -73.2 | -13 | 176.2 | -60 | 179.9 | -19 | 0 | 0 | 113.2 | N33 | N33-Q35 PolarHBondContact O-N 2.84Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.42Å; N33-Q35 PolarHBondContact OD1-N 2.67Å |
| 36 | M | 70.5 | Confident | 81.7 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -106.8 | 17.3 | -179.8 | -71 | -175.3 | 178.9 | 0 | 0 | 112.3 | I12 N33 S34 D38 L39 | I12-M36 HydrophobicContact CD1-CE 3.55Å; I12-M36 HydrophobicContact CG2-CE 4.22Å; N33-M36 HydrophobicContact CB-CB 4.32Å; N33-M36 HydrophobicContact CB-CG 4.36Å; N33-M36 HydrophobicContact CB-SD 4.44Å; N33-M36 WeakPolarHBondContact O-CA 3.5Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 2.68Å; S34-M36 PolarHBondContact O-N 3.22Å; M36-D38 VanDerWaalsContact C-N 3.28Å; M36-D38 PolarHBondContact O-N 3.03Å; M36-L39 HydrophobicContact CB-CD1 3.87Å; M36-L39 HydrophobicContact CG-CD1 3.86Å; M36-L39 WeakPolarHBondContact O-CB 3.34Å; M36-L39 PolarHBondContact O-N 2.94Å; M36-L39 HydrophobicContact SD-CD1 4.3Å |
| 37 | F | 66.9 | Low | 81.7 | Confident | 120 Ų | 120 | 46 Ų | 46 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.6 | -176.6 | -164.8 | -88.9 | 0 | 0 | 0 | 113.5 | F32 S34 L39 | F32-F37 HydrophobicContact CE2-CD2 4.18Å; F32-F37 HydrophobicContact CZ-CD2 4.02Å; S34-F37 WeakPolarHBondContact O-CB 3.06Å; S34-F37 PolarHBondContact O-N 2.9Å; F37-L39 PolarHBondContact O-N 2.87Å |
| 38 | D | 66.2 | Low | 81.6 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.5 | -179.9 | -57.6 | -63 | 0 | 0 | 0 | 114.2 | M36 R610 | M36-D38 VanDerWaalsContact C-N 3.28Å; M36-D38 PolarHBondContact O-N 3.03Å; D38-R610 IonicContact OD1-CZ 3.64Å; D38-R610 IonicContact OD1-NH2 3.24Å; D38-R610 PolarHBondContact OD1-NH2 2.71Å; D38-R610 IonicContact OD2-CZ 3.57Å; D38-R610 IonicContact OD2-NH1 3.42Å; D38-R610 PolarHBondContact OD2-NH1 3.3Å; D38-R610 IonicContact OD2-NH2 3.26Å; D38-R610 PolarHBondContact OD2-NH2 3.15Å |
| 39 | L | 69.8 | Low | 81.4 | Confident | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -86.9 | 135.3 | -178.7 | -64.7 | 176.4 | 0 | 0 | 0 | 109.8 | M36 F37 Y41 | M36-L39 HydrophobicContact CB-CD1 3.87Å; M36-L39 HydrophobicContact CG-CD1 3.86Å; M36-L39 WeakPolarHBondContact O-CB 3.34Å; M36-L39 PolarHBondContact O-N 2.94Å; M36-L39 HydrophobicContact SD-CD1 4.3Å; F37-L39 PolarHBondContact O-N 2.87Å; L39-Y41 WeakPolarHBondContact O-CD2 3.42Å; L39-Y41 PolarHBondContact O-N 3.02Å |
| 40 | D | 71 | Confident | 81.3 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | trans | -72.2 | 117.5 | 166.5 | -170 | -9.8 | 0 | 0 | 0 | 109.4 | N42 E43 | D40-N42 PolarHBondContact O-N 2.72Å; D40-N42 WeakPolarHBondContact OD1-CB 3.42Å; D40-N42 PolarHBondContact OD1-N 3.25Å; D40-N42 PolarHBondContact OD1-ND2 3.29Å; D40-E43 HydrophobicContact CB-CB 4.41Å; D40-E43 HydrophobicContact CB-CG 4.02Å; D40-E43 PolarHBondContact O-N 2.78Å | ||
| 41 | Y | 73.5 | Confident | 81.2 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -66.4 | -23.7 | 179.9 | -83.6 | -128.7 | 0 | 0 | 0 | 111.6 | L39 E43 L93 F95 | L39-Y41 WeakPolarHBondContact O-CD2 3.42Å; L39-Y41 PolarHBondContact O-N 3.02Å; Y41-E43 VanDerWaalsContact C-N 3.31Å; Y41-E43 PolarHBondContact O-N 2.7Å; Y41-L93 HydrophobicContact CD1-CB 3.92Å; Y41-L93 HydrophobicContact CD1-CD2 3.91Å; Y41-L93 HydrophobicContact CD1-CG 3.69Å; Y41-L93 VanDerWaalsContact CD1-O 3.23Å; Y41-L93 WeakPolarHBondContact CD1-O 3.34Å; Y41-L93 HydrophobicContact CD2-CD2 4.07Å; Y41-L93 HydrophobicContact CE1-CB 4.43Å; Y41-L93 HydrophobicContact CE1-CD2 3.78Å; Y41-L93 HydrophobicContact CE1-CG 3.69Å; Y41-L93 HydrophobicContact CE2-CD2 3.99Å; Y41-L93 HydrophobicContact CG-CB 4.2Å; Y41-L93 HydrophobicContact CG-CD2 4.03Å; Y41-L93 HydrophobicContact CG-CG 4.2Å; Y41-F95 AromaticContact CE1-CD1 3.84Å; Y41-F95 HydrophobicContact CE1-CD1 3.84Å; Y41-F95 HydrophobicContact CE1-CE1 4.12Å |
| 42 | N | 72.3 | Confident | 81.1 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -72.6 | -24.5 | 178.4 | -62.3 | -59.9 | 0 | 0 | 0 | 113 | D40 M113 | D40-N42 PolarHBondContact O-N 2.72Å; D40-N42 WeakPolarHBondContact OD1-CB 3.42Å; D40-N42 PolarHBondContact OD1-N 3.25Å; D40-N42 PolarHBondContact OD1-ND2 3.29Å; N42-M113 WeakPolarHBondContact OD1-CE 3.48Å; N42-M113 PolarHBondContact OD1-SD 3.19Å |
| 43 | E | 76.2 | Confident | 81 | Confident | 137 Ų | 137 | 48.5 Ų | 48.5 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -92.1 | -1.7 | -176.2 | -63.2 | -169.9 | 159.5 | 0 | 0 | 113.4 | D40 Y41 I89 | D40-E43 HydrophobicContact CB-CB 4.41Å; D40-E43 HydrophobicContact CB-CG 4.02Å; D40-E43 PolarHBondContact O-N 2.78Å; Y41-E43 VanDerWaalsContact C-N 3.31Å; Y41-E43 PolarHBondContact O-N 2.7Å; E43-I89 WeakPolarHBondContact O-CD1 3.49Å |
| 44 | R | 85.1 | Confident | 81.1 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -125.5 | 131.8 | -173.6 | -71.8 | -83.6 | -78.1 | -107.3 | -10 | 110.6 | Y63 S92 L93 | R44-Y63 WeakPolarHBondContact CD-OH 3.47Å; R44-Y63 PolarHBondContact NE-OH 3.1Å; R44-S92 CarbonylContact O-C 3.6Å; R44-S92 WeakPolarHBondContact O-CA 3.22Å; R44-L93 HydrophobicContact CB-CB 4.2Å; R44-L93 PolarHBondContact O-N 3.39Å |
| 45 | Q | 91.2 | Very high | 81.6 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 145.8 | 165.8 | -157 | 178.4 | 56.6 | 0 | 0 | 109.7 | D47 Y63 P64 L65 I89 Q90 P91 | Q45-D47 PolarHBondContact O-N 3.07Å; Q45-Y63 HydrophobicContact CB-CE2 4.07Å; Q45-Y63 PolarHBondContact N-OH 3.13Å; Q45-Y63 WeakPolarHBondContact O-CE2 3.43Å; Q45-Y63 PolarHBondContact O-OH 2.79Å; Q45-P64 HydrophobicContact CB-CB 4.33Å; Q45-L65 PolarHBondContact NE2-O 3.23Å; Q45-L65 PolarHBondContact OE1-O 2.84Å; Q45-I89 HydrophobicContact CB-CG2 3.6Å; Q45-I89 HydrophobicContact CG-CG2 4.18Å; Q45-Q90 PolarHBondContact NE2-O 2.76Å; Q45-P91 CarbonylContact C-O 3.59Å; Q45-P91 WeakPolarHBondContact CA-O 3.45Å; Q45-P91 WeakPolarHBondContact CG-O 3.17Å |
| 46 | I | 93 | Very high | 82.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -49.4 | 130 | 171.9 | -162.1 | 176.7 | 0 | 0 | 0 | 110.8 | F29 P91 R94 L108 W161 | F29-I46 HydrophobicContact CB-CD1 4.21Å; I46-P91 HydrophobicContact CG2-CB 4.31Å; I46-P91 HydrophobicContact CG2-CG 3.69Å; I46-P91 PolarHBondContact N-O 3.27Å; I46-R94 HydrophobicContact CD1-CG 3.84Å; I46-R94 HydrophobicContact CG1-CG 4.44Å; I46-L108 HydrophobicContact CD1-CD1 4.44Å; I46-L108 HydrophobicContact CD1-CD2 4.06Å; I46-W161 HydrophobicContact CG2-CH2 4.35Å; I46-W161 HydrophobicContact CG2-CZ2 3.54Å |
| 47 | D | 90.6 | Very high | 83 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 140.4 | 178.7 | 59.8 | -13.6 | 0 | 0 | 0 | 110.7 | R14 F29 G30 Q45 F49 L93 | R14-D47 IonicContact CZ-OD2 3.37Å; R14-D47 VanDerWaalsContact CZ-OD2 3.25Å; R14-D47 IonicContact NH1-OD1 3.6Å; R14-D47 PolarHBondContact NH1-OD1 2.94Å; R14-D47 VanDerWaalsContact NH1-OD1 3.08Å; R14-D47 IonicContact NH1-OD2 3.46Å; R14-D47 PolarHBondContact NH1-OD2 3.1Å; R14-D47 IonicContact NH2-OD2 2.71Å; R14-D47 PolarHBondContact NH2-OD2 2.74Å; F29-D47 WeakPolarHBondContact CA-O 3.42Å; G30-D47 WeakPolarHBondContact CA-OD1 3.17Å; G30-D47 PolarHBondContact N-O 2.82Å; G30-D47 PolarHBondContact N-OD1 2.97Å; Q45-D47 PolarHBondContact O-N 3.07Å; D47-F49 HydrophobicContact CB-CE2 3.84Å; D47-F49 HydrophobicContact CB-CZ 4.1Å; D47-F49 WeakPolarHBondContact OD2-CE2 3.41Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.18Å; D47-L93 WeakPolarHBondContact OD1-CD1 3.34Å |
| 48 | T | 93.3 | Very high | 84.1 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 120.5 | -177.7 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | F27 V28 F29 L61 F125 | F27-T48 HydrophobicContact CD1-CG2 4.08Å; V28-T48 WeakPolarHBondContact O-CA 3.48Å; F29-T48 HydrophobicContact CD1-CG2 3.7Å; F29-T48 HydrophobicContact CE1-CG2 3.54Å; F29-T48 HydrophobicContact CZ-CG2 4.42Å; T48-L61 HydrophobicContact CG2-CD1 3.74Å; T48-F125 HydrophobicContact CG2-CE2 4.11Å; T48-F125 HydrophobicContact CG2-CZ 4.06Å |
| 49 | F | 92.3 | Very high | 85.1 | Confident | 47 Ų | 47 | 49 Ų | 49 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.6 | 177.8 | -56 | -88.4 | 0 | 0 | 0 | 109.9 | P11 R14 F27 V28 D47 W58 | P11-F49 HydrophobicContact CB-CD1 3.5Å; P11-F49 VanDerWaalsContact CB-CD1 3.5Å; P11-F49 HydrophobicContact CB-CE1 3.83Å; P11-F49 HydrophobicContact CB-CG 3.97Å; P11-F49 HydrophobicContact CG-CB 4.12Å; P11-F49 HydrophobicContact CG-CD1 3.96Å; P11-F49 HydrophobicContact CG-CG 3.92Å; R14-F49 VanDerWaalsContact NH1-CE2 3.27Å; F27-F49 CarbonylContact C-O 3.53Å; F27-F49 VanDerWaalsContact CA-O 3.28Å; F27-F49 WeakPolarHBondContact CA-O 3.26Å; V28-F49 HydrophobicContact CB-CB 4.47Å; V28-F49 PolarHBondContact N-O 2.69Å; V28-F49 PolarHBondContact O-N 3.34Å; D47-F49 HydrophobicContact CB-CE2 3.84Å; D47-F49 HydrophobicContact CB-CZ 4.1Å; D47-F49 WeakPolarHBondContact OD2-CE2 3.41Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.18Å; F49-W58 HydrophobicContact CB-CE3 3.8Å; F49-W58 HydrophobicContact CB-CZ3 3.63Å |
| 50 | M | 92.6 | Very high | 85.8 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | 179.6 | -174.3 | -176.2 | 72.5 | 0 | 0 | 110.3 | R25 I26 F27 W58 E59 L61 | R25-M50 HydrophobicContact CB-CG 4.23Å; R25-M50 HydrophobicContact CB-SD 4.47Å; R25-M50 VanDerWaalsContact CD-SD 3.5Å; R25-M50 HydrophobicContact CG-CG 4.44Å; R25-M50 HydrophobicContact CG-SD 4.21Å; I26-M50 CarbonylContact O-C 3.59Å; I26-M50 WeakPolarHBondContact O-CA 3.31Å; F27-M50 HydrophobicContact CD1-CB 4.02Å; F27-M50 HydrophobicContact CD1-CG 4.06Å; F27-M50 HydrophobicContact CE1-CB 3.82Å; F27-M50 HydrophobicContact CE1-CG 3.56Å; F27-M50 HydrophobicContact CE1-SD 3.67Å; F27-M50 HydrophobicContact CE2-CG 4.37Å; F27-M50 HydrophobicContact CZ-CB 4.49Å; F27-M50 HydrophobicContact CZ-CG 3.74Å; F27-M50 HydrophobicContact CZ-SD 3.59Å; F27-M50 VanDerWaalsContact CZ-SD 3.59Å; M50-W58 VanDerWaalsContact C-CE3 3.47Å; M50-W58 CarbonylContact O-C 3.57Å; M50-W58 WeakPolarHBondContact O-CA 3.47Å; M50-E59 HydrophobicContact CE-CB 3.38Å; M50-E59 HydrophobicContact CE-CG 4.01Å; M50-E59 WeakPolarHBondContact CE-OE2 3.33Å; M50-E59 PolarHBondContact O-N 3.2Å; M50-L61 HydrophobicContact CB-CD1 4.24Å; M50-L61 HydrophobicContact CB-CD2 4.04Å; M50-L61 HydrophobicContact CB-CG 4.15Å; M50-L61 HydrophobicContact CE-CD2 4.19Å; M50-L61 HydrophobicContact SD-CD2 4.02Å |
| 51 | W | 91.2 | Very high | 86.5 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.7 | 165.6 | 174.7 | -91.3 | 0 | 0 | 0 | 109.5 | L7 R25 I26 N56 R57 W58 F569 | L7-W51 HydrophobicContact CB-CH2 4.09Å; L7-W51 HydrophobicContact CD1-CH2 4.03Å; L7-W51 HydrophobicContact CD1-CZ2 3.68Å; L7-W51 HydrophobicContact CD2-CZ2 4.36Å; L7-W51 HydrophobicContact CG-CH2 4.43Å; L7-W51 HydrophobicContact CG-CZ2 4.41Å; R25-W51 CarbonylContact C-O 3.51Å; R25-W51 VanDerWaalsContact CA-O 3.31Å; R25-W51 WeakPolarHBondContact CA-O 3.36Å; I26-W51 HydrophobicContact CB-CB 4.25Å; I26-W51 PolarHBondContact N-O 2.99Å; I26-W51 PolarHBondContact O-N 3.42Å; W51-N56 WeakPolarHBondContact CH2-O 3.25Å; W51-N56 HydrophobicContact CZ2-CB 4.22Å; W51-N56 WeakPolarHBondContact CZ2-OD1 3.4Å; W51-R57 VanDerWaalsContact CZ3-CA 3.42Å; W51-W58 HydrophobicContact CB-CD2 4.08Å; W51-W58 HydrophobicContact CB-CE3 3.89Å; W51-W58 HydrophobicContact CB-CH2 4.12Å; W51-W58 HydrophobicContact CB-CZ2 4.28Å; W51-W58 HydrophobicContact CB-CZ3 3.91Å; W51-W58 HydrophobicContact CE3-CB 4.44Å; W51-W58 AromaticContact CE3-CD1 3.31Å; W51-W58 AromaticContact CE3-CD2 3.78Å; W51-W58 HydrophobicContact CE3-CD2 3.78Å; W51-W58 AromaticContact CE3-CE2 3.55Å; W51-W58 AromaticContact CE3-CG 3.64Å; W51-W58 HydrophobicContact CE3-CG 3.64Å; W51-W58 HydrophobicContact CE3-CZ2 4.34Å; W51-W58 AromaticContact CE3-NE1 3.2Å; W51-W58 AromaticContact CZ3-CD1 3.44Å; W51-W58 VanDerWaalsContact CZ3-CD1 3.44Å; W51-W58 HydrophobicContact CZ3-CG 4.16Å; W51-W58 AromaticContact CZ3-NE1 3.45Å; W51-F569 AromaticContact NE1-CE1 3.71Å |
| 52 | D | 89.3 | Confident | 87 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.4 | 173.5 | -175.2 | -45.9 | 0 | 0 | 0 | 109.2 | H54 K55 N56 R57 E59 | D52-H54 VanDerWaalsContact C-N 3.33Å; D52-H54 PolarHBondContact O-N 3.45Å; D52-H54 PolarHBondContact OD1-N 2.89Å; D52-K55 HydrophobicContact CB-CB 4.05Å; D52-K55 HydrophobicContact CB-CD 4.33Å; D52-K55 HydrophobicContact CB-CG 4.36Å; D52-K55 PolarHBondContact OD1-N 2.92Å; D52-K55 WeakPolarHBondContact OD2-CD 3.34Å; D52-K55 VanDerWaalsContact OD2-CE 3.32Å; D52-K55 WeakPolarHBondContact OD2-CE 3.47Å; D52-K55 IonicContact OD2-NZ 2.77Å; D52-K55 PolarHBondContact OD2-NZ 3.17Å; D52-N56 WeakPolarHBondContact O-CA 3.11Å; D52-N56 PolarHBondContact O-N 3.24Å; D52-R57 PolarHBondContact N-O 2.87Å; D52-R57 PolarHBondContact O-N 3.4Å; D52-E59 HydrophobicContact CB-CG 4.29Å |
| 53 | I | 86.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -33.5 | -173.3 | -64.2 | 176 | 0 | 0 | 0 | 111.7 | D24 I26 Y546 F569 | D24-I53 VanDerWaalsContact O-CB 3.24Å; D24-I53 WeakPolarHBondContact O-CB 3.4Å; D24-I53 VanDerWaalsContact O-CG1 3.31Å; D24-I53 WeakPolarHBondContact O-CG1 3.45Å; D24-I53 PolarHBondContact O-N 3.39Å; I26-I53 HydrophobicContact CD1-CD1 4.28Å; I26-I53 HydrophobicContact CD1-CG1 4.46Å; I26-I53 HydrophobicContact CG1-CD1 4.06Å; I26-I53 HydrophobicContact CG1-CG1 4.33Å; I53-Y546 HydrophobicContact CD1-CD1 4.15Å; I53-Y546 HydrophobicContact CD1-CD2 3.24Å; I53-Y546 HydrophobicContact CD1-CE1 4.48Å; I53-Y546 HydrophobicContact CD1-CE2 3.65Å; I53-Y546 HydrophobicContact CD1-CG 3.5Å; I53-Y546 HydrophobicContact CG2-CD1 4.34Å; I53-Y546 HydrophobicContact CG2-CE1 4.11Å; I53-F569 HydrophobicContact CD1-CE2 4.39Å; I53-F569 HydrophobicContact CG1-CZ 4.38Å; I53-F569 HydrophobicContact CG2-CZ 4.44Å |
| 54 | H | 84.8 | Confident | 88 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -40.5 | -178.4 | -66 | -52.3 | 0 | 0 | 0 | 111.6 | D24 D52 N56 Q564 | D24-H54 VanDerWaalsContact CB-NE2 3.27Å; D24-H54 WeakPolarHBondContact CB-NE2 3.29Å; D24-H54 IonicContact OD1-NE2 3.95Å; D24-H54 IonicContact OD2-CD2 3.14Å; D24-H54 IonicContact OD2-CE1 3.35Å; D24-H54 IonicContact OD2-NE2 3.08Å; D24-H54 PolarHBondContact OD2-NE2 3.45Å; D52-H54 VanDerWaalsContact C-N 3.33Å; D52-H54 PolarHBondContact O-N 3.45Å; D52-H54 PolarHBondContact OD1-N 2.89Å; H54-N56 VanDerWaalsContact C-N 3.25Å; H54-Q564 PolarHBondContact ND1-NE2 3.38Å |
| 55 | K | 85.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.2 | 174.7 | -59.5 | -179.7 | -166.5 | 124.8 | 0 | 112.7 | D52 R57 E59 | D52-K55 HydrophobicContact CB-CB 4.05Å; D52-K55 HydrophobicContact CB-CD 4.33Å; D52-K55 HydrophobicContact CB-CG 4.36Å; D52-K55 PolarHBondContact OD1-N 2.92Å; D52-K55 WeakPolarHBondContact OD2-CD 3.34Å; D52-K55 VanDerWaalsContact OD2-CE 3.32Å; D52-K55 WeakPolarHBondContact OD2-CE 3.47Å; D52-K55 IonicContact OD2-NZ 2.77Å; D52-K55 PolarHBondContact OD2-NZ 3.17Å; K55-R57 VanDerWaalsContact C-N 3.3Å; K55-R57 HydrophobicContact CB-CG 3.94Å; K55-R57 PolarHBondContact O-N 2.87Å; K55-E59 WeakPolarHBondContact CD-OE1 3.44Å; K55-E59 VanDerWaalsContact CE-OE1 3.31Å; K55-E59 WeakPolarHBondContact CE-OE1 3.47Å; K55-E59 IonicContact NZ-OE1 3.75Å; K55-E59 PolarHBondContact NZ-OE1 3.31Å; K55-E59 IonicContact NZ-OE2 3.19Å; K55-E59 PolarHBondContact NZ-OE2 2.78Å |
| 56 | N | 84.6 | Confident | 88 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 47.1 | -179.6 | -170.8 | 78.2 | 0 | 0 | 0 | 112 | W51 D52 H54 | W51-N56 WeakPolarHBondContact CH2-O 3.25Å; W51-N56 HydrophobicContact CZ2-CB 4.22Å; W51-N56 WeakPolarHBondContact CZ2-OD1 3.4Å; D52-N56 WeakPolarHBondContact O-CA 3.11Å; D52-N56 PolarHBondContact O-N 3.24Å; H54-N56 VanDerWaalsContact C-N 3.25Å |
| 57 | R | 88.2 | Confident | 87.8 | Confident | 140 Ų | 140 | 56.6 Ų | 56.6 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.4 | 179.1 | 69.4 | -176.5 | -174.2 | -179.9 | 2.8 | 111.8 | W51 D52 K55 E59 | W51-R57 VanDerWaalsContact CZ3-CA 3.42Å; D52-R57 PolarHBondContact N-O 2.87Å; D52-R57 PolarHBondContact O-N 3.4Å; K55-R57 VanDerWaalsContact C-N 3.3Å; K55-R57 HydrophobicContact CB-CG 3.94Å; K55-R57 PolarHBondContact O-N 2.87Å; R57-E59 HydrophobicContact CG-CG 4.42Å; R57-E59 IonicContact CZ-OE1 2.76Å; R57-E59 IonicContact NE-OE1 2.73Å; R57-E59 IonicContact NH2-OE1 3.75Å; R57-E59 PolarHBondContact NH2-OE1 3.28Å |
| 58 | W | 88.6 | Confident | 87.8 | Confident | 43 Ų | 43 | 57 Ų | 57 | 16% | 0.163 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.6 | 167.5 | -65.2 | 93.1 | 0 | 0 | 0 | 110.3 | A10 P11 V28 F49 M50 W51 F571 C1243 | A10-W58 VanDerWaalsContact CA-NE1 3.31Å; A10-W58 HydrophobicContact CB-CZ2 4.49Å; P11-W58 VanDerWaalsContact CD-CD2 3.44Å; P11-W58 VanDerWaalsContact CD-CZ2 3.48Å; P11-W58 HydrophobicContact CG-CD2 3.97Å; P11-W58 HydrophobicContact CG-CE3 3.99Å; P11-W58 HydrophobicContact CG-CH2 4.09Å; P11-W58 HydrophobicContact CG-CZ2 4.07Å; P11-W58 HydrophobicContact CG-CZ3 4.05Å; V28-W58 HydrophobicContact CG2-CH2 3.76Å; V28-W58 HydrophobicContact CG2-CZ3 4.08Å; F49-W58 HydrophobicContact CB-CE3 3.8Å; F49-W58 HydrophobicContact CB-CZ3 3.63Å; M50-W58 VanDerWaalsContact C-CE3 3.47Å; M50-W58 CarbonylContact O-C 3.57Å; M50-W58 WeakPolarHBondContact O-CA 3.47Å; W51-W58 HydrophobicContact CB-CD2 4.08Å; W51-W58 HydrophobicContact CB-CE3 3.89Å; W51-W58 HydrophobicContact CB-CH2 4.12Å; W51-W58 HydrophobicContact CB-CZ2 4.28Å; W51-W58 HydrophobicContact CB-CZ3 3.91Å; W51-W58 HydrophobicContact CE3-CB 4.44Å; W51-W58 AromaticContact CE3-CD1 3.31Å; W51-W58 AromaticContact CE3-CD2 3.78Å; W51-W58 HydrophobicContact CE3-CD2 3.78Å; W51-W58 AromaticContact CE3-CE2 3.55Å; W51-W58 AromaticContact CE3-CG 3.64Å; W51-W58 HydrophobicContact CE3-CG 3.64Å; W51-W58 HydrophobicContact CE3-CZ2 4.34Å; W51-W58 AromaticContact CE3-NE1 3.2Å; W51-W58 AromaticContact CZ3-CD1 3.44Å; W51-W58 VanDerWaalsContact CZ3-CD1 3.44Å; W51-W58 HydrophobicContact CZ3-CG 4.16Å; W51-W58 AromaticContact CZ3-NE1 3.45Å; W58-F571 HydrophobicContact CH2-CD2 4.27Å; W58-F571 HydrophobicContact CH2-CE2 4.49Å; W58-F571 HydrophobicContact CH2-CG 4.38Å; W58-F571 AromaticContact CZ2-CD2 3.91Å; W58-F571 HydrophobicContact CZ2-CD2 3.91Å; W58-F571 HydrophobicContact CZ2-CE2 4.14Å; W58-F571 HydrophobicContact CZ2-CG 4.41Å; W58-C1243 HydrophobicContact CZ2-CB 4.37Å |
| 59 | E | 87.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.4 | 175.4 | -66.5 | -156.4 | 145 | 0 | 0 | 109.7 | M50 D52 K55 R57 | M50-E59 HydrophobicContact CE-CB 3.38Å; M50-E59 HydrophobicContact CE-CG 4.01Å; M50-E59 WeakPolarHBondContact CE-OE2 3.33Å; M50-E59 PolarHBondContact O-N 3.2Å; D52-E59 HydrophobicContact CB-CG 4.29Å; K55-E59 WeakPolarHBondContact CD-OE1 3.44Å; K55-E59 VanDerWaalsContact CE-OE1 3.31Å; K55-E59 WeakPolarHBondContact CE-OE1 3.47Å; K55-E59 IonicContact NZ-OE1 3.75Å; K55-E59 PolarHBondContact NZ-OE1 3.31Å; K55-E59 IonicContact NZ-OE2 3.19Å; K55-E59 PolarHBondContact NZ-OE2 2.78Å; R57-E59 HydrophobicContact CG-CG 4.42Å; R57-E59 IonicContact CZ-OE1 2.76Å; R57-E59 IonicContact NE-OE1 2.73Å; R57-E59 IonicContact NH2-OE1 3.75Å; R57-E59 PolarHBondContact NH2-OE1 3.28Å |
| 60 | Q | 84.2 | Confident | 87.6 | Confident | 192 Ų | 192 | 54.4 Ų | 54.4 | 90% | 0.897 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 130.7 | 179.2 | -171.1 | 175.3 | 6 | 0 | 0 | 110.4 | ||
| 61 | L | 87.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 155.2 | 171.3 | -58.7 | -177.4 | 0 | 0 | 0 | 110.3 | F27 T48 M50 L65 F125 P159 | F27-L61 HydrophobicContact CD1-CD1 4.25Å; F27-L61 HydrophobicContact CE1-CD1 4.07Å; T48-L61 HydrophobicContact CG2-CD1 3.74Å; M50-L61 HydrophobicContact CB-CD1 4.24Å; M50-L61 HydrophobicContact CB-CD2 4.04Å; M50-L61 HydrophobicContact CB-CG 4.15Å; M50-L61 HydrophobicContact CE-CD2 4.19Å; M50-L61 HydrophobicContact SD-CD2 4.02Å; L61-L65 HydrophobicContact CB-CD2 4.45Å; L61-F125 HydrophobicContact CD1-CZ 4.48Å; L61-P159 HydrophobicContact CD2-CG 4.2Å |
| 62 | P | 83.7 | Confident | 87.4 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 140.4 | 167.9 | -22.1 | 33.3 | 0 | 0 | 0 | 110.8 | L65 | P62-L65 HydrophobicContact CB-CD2 4.38Å; P62-L65 WeakPolarHBondContact O-CD2 3.24Å; P62-L65 WeakPolarHBondContact O-CG 3.27Å |
| 63 | Y | 83.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -138.5 | 135.2 | 176.5 | -176.4 | -93.8 | 0 | 0 | 0 | 110.7 | R44 Q45 | R44-Y63 WeakPolarHBondContact CD-OH 3.47Å; R44-Y63 PolarHBondContact NE-OH 3.1Å; Q45-Y63 HydrophobicContact CB-CE2 4.07Å; Q45-Y63 PolarHBondContact N-OH 3.13Å; Q45-Y63 WeakPolarHBondContact O-CE2 3.43Å; Q45-Y63 PolarHBondContact O-OH 2.79Å |
| 64 | P | 85 | Confident | 87.1 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -63.5 | 152.7 | -12.1 | 29.5 | -34.7 | 0 | 0 | 0 | 110.9 | Q45 | Q45-P64 HydrophobicContact CB-CB 4.33Š|
| 65 | L | 89 | Confident | 87 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 146.2 | 170.7 | -68 | 172.6 | 0 | 0 | 0 | 109.4 | Q45 L61 P62 L67 F125 P159 | Q45-L65 PolarHBondContact NE2-O 3.23Å; Q45-L65 PolarHBondContact OE1-O 2.84Å; L61-L65 HydrophobicContact CB-CD2 4.45Å; P62-L65 HydrophobicContact CB-CD2 4.38Å; P62-L65 WeakPolarHBondContact O-CD2 3.24Å; P62-L65 WeakPolarHBondContact O-CG 3.27Å; L65-L67 PolarHBondContact O-N 3.42Å; L65-F125 HydrophobicContact CD1-CD2 4.37Å; L65-F125 HydrophobicContact CD1-CE2 3.74Å; L65-P159 HydrophobicContact CD2-CB 4.03Å; L65-P159 WeakPolarHBondContact CD2-O 3.32Å |
| 66 | L | 87.8 | Confident | 87 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 130.2 | 177.5 | 179.6 | 62 | 0 | 0 | 0 | 110.1 | K68 P81 C160 W161 | L66-K68 HydrophobicContact CD2-CD 4.5Å; L66-K68 HydrophobicContact CD2-CG 4.3Å; L66-K68 HydrophobicContact CG-CG 4.13Å; L66-P81 HydrophobicContact CD1-CB 4.06Å; L66-C160 HydrophobicContact CB-CB 4.05Å; L66-C160 WeakPolarHBondContact O-CA 3.28Å; L66-C160 VanDerWaalsContact O-CB 3.26Å; L66-C160 WeakPolarHBondContact O-CB 3.31Å; L66-W161 PolarHBondContact O-N 3.07Å |
| 67 | L | 89.6 | Confident | 87 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.1 | 173.9 | -178.3 | 66.6 | 0 | 0 | 0 | 110.3 | L65 I82 Q90 Y123 W161 | L65-L67 PolarHBondContact O-N 3.42Å; L67-I82 HydrophobicContact CD2-CB 4.28Å; L67-I82 HydrophobicContact CD2-CD1 4.3Å; L67-I82 HydrophobicContact CG-CB 4.41Å; L67-I82 HydrophobicContact CG-CD1 4.1Å; L67-I82 HydrophobicContact CG-CG1 4.44Å; L67-I82 PolarHBondContact O-N 2.7Å; L67-Q90 HydrophobicContact CD2-CB 3.93Å; L67-Q90 WeakPolarHBondContact CD2-O 3.39Å; L67-Y123 HydrophobicContact CD1-CE1 4.41Å; L67-W161 WeakPolarHBondContact CA-O 3.29Å; L67-W161 HydrophobicContact CD1-CB 3.87Å |
| 68 | K | 90 | Very high | 86.7 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 173.7 | 178.5 | -52.1 | -168.2 | 172.3 | -144.2 | 0 | 110.6 | L66 W77 D80 I82 W161 A162 E163 | L66-K68 HydrophobicContact CD2-CD 4.5Å; L66-K68 HydrophobicContact CD2-CG 4.3Å; L66-K68 HydrophobicContact CG-CG 4.13Å; K68-W77 HydrophobicContact CB-CE3 4.03Å; K68-W77 HydrophobicContact CB-CZ3 3.89Å; K68-W77 HydrophobicContact CD-CE3 3.83Å; K68-W77 HydrophobicContact CD-CH2 4.41Å; K68-W77 HydrophobicContact CD-CZ3 3.68Å; K68-W77 HydrophobicContact CG-CZ3 4.38Å; K68-D80 WeakPolarHBondContact CB-OD1 3.44Å; K68-D80 WeakPolarHBondContact CD-OD1 3.5Å; K68-D80 VanDerWaalsContact CE-OD2 3.27Å; K68-D80 WeakPolarHBondContact CE-OD2 3.11Å; K68-D80 WeakPolarHBondContact CG-OD1 3.44Å; K68-D80 IonicContact NZ-OD1 2.7Å; K68-D80 IonicContact NZ-OD2 2.75Å; K68-D80 PolarHBondContact NZ-OD2 2.98Å; K68-I82 VanDerWaalsContact C-CD1 3.46Å; K68-I82 WeakPolarHBondContact O-CD1 3.13Å; K68-W161 PolarHBondContact N-O 2.98Å; K68-A162 HydrophobicContact CB-CB 4.37Å; K68-A162 CarbonylContact O-C 3.48Å; K68-A162 WeakPolarHBondContact O-CA 3.18Å; K68-E163 PolarHBondContact O-N 3.46Å |
| 69 | S | 90.9 | Very high | 86.2 | Confident | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144 | 164.6 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | G78 | S69-G78 PolarHBondContact O-N 2.84Å; S69-G78 WeakPolarHBondContact OG-CA 3.18Å |
| 70 | W | 90.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.2 | 172.3 | 172.3 | -101.4 | 0 | 0 | 0 | 109.2 | K75 S76 W77 A162 E163 R165 W212 F373 W374 A375 | W70-K75 HydrophobicContact CH2-CB 4.26Å; W70-K75 WeakPolarHBondContact CH2-O 3.27Å; W70-K75 VanDerWaalsContact CZ2-CA 3.48Å; W70-K75 HydrophobicContact CZ2-CB 4.13Å; W70-S76 VanDerWaalsContact CE3-C 3.48Å; W70-S76 VanDerWaalsContact CH2-N 3.33Å; W70-W77 AromaticContact CE3-CD2 3.77Å; W70-W77 HydrophobicContact CE3-CD2 3.77Å; W70-W77 AromaticContact CE3-CE2 3.93Å; W70-W77 HydrophobicContact CE3-CE3 4.18Å; W70-W77 AromaticContact CE3-CG 3.97Å; W70-W77 HydrophobicContact CE3-CG 3.97Å; W70-W77 AromaticContact CZ3-CD1 3.86Å; W70-W77 HydrophobicContact CZ3-CD2 4.23Å; W70-W77 HydrophobicContact CZ3-CG 4.08Å; W70-W77 AromaticContact CZ3-NE1 3.89Å; W70-A162 HydrophobicContact CB-CB 4.11Å; W70-E163 PolarHBondContact N-O 3.36Å; W70-R165 PolarHBondContact O-N 3.24Å; W70-W212 AromaticContact NE1-CZ2 3.77Å; W70-F373 AromaticContact CH2-CE1 3.61Å; W70-F373 HydrophobicContact CH2-CE1 3.61Å; W70-F373 AromaticContact CH2-CZ 3.29Å; W70-F373 HydrophobicContact CH2-CZ 3.29Å; W70-F373 HydrophobicContact CZ2-CE1 4.07Å; W70-F373 HydrophobicContact CZ2-CZ 4.04Å; W70-F373 AromaticContact CZ3-CZ 3.93Å; W70-F373 HydrophobicContact CZ3-CZ 3.93Å; W70-W374 HydrophobicContact CD2-CZ2 4.17Å; W70-W374 AromaticContact CE2-CH2 3.67Å; W70-W374 AromaticContact CE2-CZ2 3.45Å; W70-W374 VanDerWaalsContact CE2-CZ2 3.45Å; W70-W374 HydrophobicContact CH2-CZ2 4.08Å; W70-W374 AromaticContact CZ2-CH2 3.84Å; W70-W374 HydrophobicContact CZ2-CH2 3.84Å; W70-W374 AromaticContact CZ2-CZ2 3.39Å; W70-W374 HydrophobicContact CZ2-CZ2 3.39Å; W70-W374 AromaticContact NE1-CH2 3.41Å; W70-W374 AromaticContact NE1-CZ2 3.7Å; W70-A375 HydrophobicContact CZ2-CB 4.39Å |
| 71 | D | 90.7 | Very high | 84.5 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.7 | 172.7 | -171.4 | -46 | 0 | 0 | 0 | 109.2 | N73 L74 K75 S76 | D71-N73 WeakPolarHBondContact OD1-CA 3.47Å; D71-N73 WeakPolarHBondContact OD1-CB 3.31Å; D71-N73 PolarHBondContact OD1-N 3.1Å; D71-L74 HydrophobicContact CB-CB 4.17Å; D71-L74 PolarHBondContact OD1-N 2.97Å; D71-K75 VanDerWaalsContact O-CA 3.29Å; D71-K75 WeakPolarHBondContact O-CA 3.15Å; D71-K75 PolarHBondContact O-N 3.17Å; D71-S76 PolarHBondContact N-O 2.91Å; D71-S76 PolarHBondContact O-N 3Å |
| 72 | C | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -25.7 | -175.5 | 74.2 | 0 | 0 | 0 | 0 | 114 | K75 V164 R165 G166 T167 W212 | C72-K75 WeakPolarHBondContact O-CG 3.23Å; C72-V164 HydrophobicContact CB-CG1 4.34Å; C72-R165 WeakPolarHBondContact CB-O 3.38Å; C72-R165 PolarHBondContact N-O 3.46Å; C72-R165 PolarHBondContact SG-O 2.87Å; C72-G166 PolarHBondContact SG-O 2.81Å; C72-G166 VanDerWaalsContact SG-O 3.39Å; C72-T167 PolarHBondContact SG-N 3.03Å; C72-W212 HydrophobicContact CB-CB 4.09Å; C72-W212 HydrophobicContact CB-CD2 3.36Å; C72-W212 VanDerWaalsContact CB-CE2 3.42Å; C72-W212 HydrophobicContact CB-CE3 3.87Å; C72-W212 HydrophobicContact CB-CG 3.44Å; C72-W212 VanDerWaalsContact CB-CG 3.44Å; C72-W212 HydrophobicContact CB-CH2 4.28Å; C72-W212 HydrophobicContact CB-CZ2 3.85Å; C72-W212 HydrophobicContact CB-CZ3 4.32Å; C72-W212 PolarHBondContact O-NE1 3.28Å; C72-W212 WeakPolarHBondContact SG-CB 3.19Å; C72-W212 VanDerWaalsContact SG-CG 3.53Å |
| 73 | N | 84 | Confident | 82.5 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -44.8 | 179.7 | -66 | -36.5 | 0 | 0 | 0 | 110.6 | D71 K75 G166 | D71-N73 WeakPolarHBondContact OD1-CA 3.47Å; D71-N73 WeakPolarHBondContact OD1-CB 3.31Å; D71-N73 PolarHBondContact OD1-N 3.1Å; N73-K75 VanDerWaalsContact C-N 3.26Å; N73-G166 WeakPolarHBondContact ND2-CA 3.2Å; N73-G166 PolarHBondContact ND2-O 3.44Å; N73-G166 PolarHBondContact OD1-O 3.24Å |
| 74 | L | 86 | Confident | 81.5 | Confident | 127 Ų | 127 | 59.7 Ų | 59.7 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.3 | 175.2 | -61.1 | 179.6 | 0 | 0 | 0 | 112.7 | D71 S76 | D71-L74 HydrophobicContact CB-CB 4.17Å; D71-L74 PolarHBondContact OD1-N 2.97Å; L74-S76 VanDerWaalsContact CB-OG 3.31Å; L74-S76 WeakPolarHBondContact CB-OG 3.38Å; L74-S76 PolarHBondContact O-N 3.39Å |
| 75 | K | 82.5 | Confident | 80 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.2 | -173.8 | -59.9 | 178.9 | 179.9 | -173.7 | 0 | 110.8 | W70 D71 C72 N73 A375 | W70-K75 HydrophobicContact CH2-CB 4.26Å; W70-K75 WeakPolarHBondContact CH2-O 3.27Å; W70-K75 VanDerWaalsContact CZ2-CA 3.48Å; W70-K75 HydrophobicContact CZ2-CB 4.13Å; D71-K75 VanDerWaalsContact O-CA 3.29Å; D71-K75 WeakPolarHBondContact O-CA 3.15Å; D71-K75 PolarHBondContact O-N 3.17Å; C72-K75 WeakPolarHBondContact O-CG 3.23Å; N73-K75 VanDerWaalsContact C-N 3.26Å; K75-A375 HydrophobicContact CB-CB 4.25Å; K75-A375 HydrophobicContact CD-CB 3.77Å; K75-A375 WeakPolarHBondContact CE-O 3.37Å; K75-A375 HydrophobicContact CG-CB 3.97Å; K75-A375 PolarHBondContact NZ-O 3.49Å |
| 76 | S | 85.7 | Confident | 78.5 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.6 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | W70 D71 L74 | W70-S76 VanDerWaalsContact CE3-C 3.48Å; W70-S76 VanDerWaalsContact CH2-N 3.33Å; D71-S76 PolarHBondContact N-O 2.91Å; D71-S76 PolarHBondContact O-N 3Å; L74-S76 VanDerWaalsContact CB-OG 3.31Å; L74-S76 WeakPolarHBondContact CB-OG 3.38Å; L74-S76 PolarHBondContact O-N 3.39Å |
| 77 | W | 85.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 35% | 0.345 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.3 | 169.3 | -66.6 | 99.1 | 0 | 0 | 0 | 109.7 | K68 W70 M124 A162 | K68-W77 HydrophobicContact CB-CE3 4.03Å; K68-W77 HydrophobicContact CB-CZ3 3.89Å; K68-W77 HydrophobicContact CD-CE3 3.83Å; K68-W77 HydrophobicContact CD-CH2 4.41Å; K68-W77 HydrophobicContact CD-CZ3 3.68Å; K68-W77 HydrophobicContact CG-CZ3 4.38Å; W70-W77 AromaticContact CE3-CD2 3.77Å; W70-W77 HydrophobicContact CE3-CD2 3.77Å; W70-W77 AromaticContact CE3-CE2 3.93Å; W70-W77 HydrophobicContact CE3-CE3 4.18Å; W70-W77 AromaticContact CE3-CG 3.97Å; W70-W77 HydrophobicContact CE3-CG 3.97Å; W70-W77 AromaticContact CZ3-CD1 3.86Å; W70-W77 HydrophobicContact CZ3-CD2 4.23Å; W70-W77 HydrophobicContact CZ3-CG 4.08Å; W70-W77 AromaticContact CZ3-NE1 3.89Å; W77-M124 HydrophobicContact CH2-CE 3.24Å; W77-M124 HydrophobicContact CZ2-CE 3.84Å; W77-M124 HydrophobicContact CZ3-CE 3.9Å; W77-A162 HydrophobicContact CH2-CB 4.24Å; W77-A162 HydrophobicContact CZ3-CB 3.63Å |
| 78 | G | 82.1 | Confident | 76.2 | Confident | 24 Ų | 24 | 66 Ų | 66 | 25% | 0.247 | 39% | 0.392 | C | S | . | . | trans | -76.7 | -175.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S69 | S69-G78 PolarHBondContact O-N 2.84Å; S69-G78 WeakPolarHBondContact OG-CA 3.18Å | ||
| 79 | P | 77.5 | Confident | 75.4 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 72% | 0.721 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.3 | 137 | 178.3 | 27.3 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 80 | D | 69.6 | Low | 75.1 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -95.9 | 142.1 | 174.3 | -74.9 | -16.2 | 0 | 0 | 0 | 110.7 | K68 | K68-D80 WeakPolarHBondContact CB-OD1 3.44Å; K68-D80 WeakPolarHBondContact CD-OD1 3.5Å; K68-D80 VanDerWaalsContact CE-OD2 3.27Å; K68-D80 WeakPolarHBondContact CE-OD2 3.11Å; K68-D80 WeakPolarHBondContact CG-OD1 3.44Å; K68-D80 IonicContact NZ-OD1 2.7Å; K68-D80 IonicContact NZ-OD2 2.75Å; K68-D80 PolarHBondContact NZ-OD2 2.98Å |
| 81 | P | 65.2 | Low | 75.2 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | S | Bend | cis | -80.5 | 166.5 | -20.9 | 33.9 | -33.3 | 0 | 0 | 0 | 111.9 | L66 L83 | L66-P81 HydrophobicContact CD1-CB 4.06Å; P81-L83 PolarHBondContact O-N 3.06Å; P81-L83 VanDerWaalsContact O-N 3.13Å |
| 82 | I | 66.8 | Low | 75.2 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | trans | -65.8 | 113.7 | 164.1 | -57.3 | -176.8 | 0 | 0 | 0 | 107.7 | L67 K68 E84 E163 | L67-I82 HydrophobicContact CD2-CB 4.28Å; L67-I82 HydrophobicContact CD2-CD1 4.3Å; L67-I82 HydrophobicContact CG-CB 4.41Å; L67-I82 HydrophobicContact CG-CD1 4.1Å; L67-I82 HydrophobicContact CG-CG1 4.44Å; L67-I82 PolarHBondContact O-N 2.7Å; K68-I82 VanDerWaalsContact C-CD1 3.46Å; K68-I82 WeakPolarHBondContact O-CD1 3.13Å; I82-E84 HydrophobicContact CG2-CG 3.87Å; I82-E84 PolarHBondContact O-N 3.04Å; I82-E163 HydrophobicContact CD1-CB 3.84Å | ||
| 83 | L | 63.2 | Low | 75.4 | Confident | 167 Ų | 167 | 66.3 Ų | 66.3 | 87% | 0.874 | 39% | 0.394 | S | S | * | . | trans | -87.7 | 95.9 | 168.8 | -159 | 81.1 | 0 | 0 | 0 | 107.6 | P81 | P81-L83 PolarHBondContact O-N 3.06Å; P81-L83 VanDerWaalsContact O-N 3.13Å | ||
| 84 | E | 60.9 | Low | 75.8 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | trans | -74.3 | 126.4 | 173.1 | -71.7 | -162.7 | -164.1 | 0 | 0 | 110.3 | I82 S86 G87 Q90 | I82-E84 HydrophobicContact CG2-CG 3.87Å; I82-E84 PolarHBondContact O-N 3.04Å; E84-S86 PolarHBondContact O-N 2.68Å; E84-S86 PolarHBondContact OE2-OG 2.77Å; E84-S86 VanDerWaalsContact OE2-OG 3.1Å; E84-G87 PolarHBondContact O-N 3.19Å; E84-Q90 WeakPolarHBondContact OE1-CG 3.42Å | ||
| 85 | S | 54.4 | Low | 76.2 | Confident | 135 Ų | 135 | 56.9 Ų | 56.9 | 94% | 0.944 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -23.2 | 175.4 | 50.9 | 0 | 0 | 0 | 0 | 113 | G87 | S85-G87 VanDerWaalsContact C-N 3.28Å; S85-G87 PolarHBondContact O-N 3.02Å |
| 86 | S | 58.2 | Low | 76.7 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -18.3 | -178.8 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | E84 S88 | E84-S86 PolarHBondContact O-N 2.68Å; E84-S86 PolarHBondContact OE2-OG 2.77Å; E84-S86 VanDerWaalsContact OE2-OG 3.1Å; S86-S88 PolarHBondContact O-N 3.44Å; S86-S88 WeakPolarHBondContact OG-CB 3.07Å; S86-S88 PolarHBondContact OG-N 3.07Å; S86-S88 VanDerWaalsContact OG-N 3.13Å |
| 87 | G | 59.6 | Low | 77.2 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | trans | 72 | 0.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E84 S85 | E84-G87 PolarHBondContact O-N 3.19Å; S85-G87 VanDerWaalsContact C-N 3.28Å; S85-G87 PolarHBondContact O-N 3.02Å | ||
| 88 | S | 67.9 | Low | 77.8 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | trans | -68 | 140.1 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | S86 Q90 | S86-S88 PolarHBondContact O-N 3.44Å; S86-S88 WeakPolarHBondContact OG-CB 3.07Å; S86-S88 PolarHBondContact OG-N 3.07Å; S86-S88 VanDerWaalsContact OG-N 3.13Å; S88-Q90 PolarHBondContact OG-NE2 2.73Å | ||
| 89 | I | 74.2 | Confident | 78.5 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | trans | -100.2 | 105.7 | 176.8 | -53 | -174 | 0 | 0 | 0 | 108.8 | E43 Q45 S92 | E43-I89 WeakPolarHBondContact O-CD1 3.49Å; Q45-I89 HydrophobicContact CB-CG2 3.6Å; Q45-I89 HydrophobicContact CG-CG2 4.18Å; I89-S92 WeakPolarHBondContact O-CA 3.41Å; I89-S92 PolarHBondContact O-N 2.89Å | ||
| 90 | Q | 85.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -99.7 | 154.7 | 179.1 | -65.2 | -62.2 | -26.6 | 0 | 0 | 113.5 | Q45 L67 E84 S88 S92 Y123 | Q45-Q90 PolarHBondContact NE2-O 2.76Å; L67-Q90 HydrophobicContact CD2-CB 3.93Å; L67-Q90 WeakPolarHBondContact CD2-O 3.39Å; E84-Q90 WeakPolarHBondContact OE1-CG 3.42Å; S88-Q90 PolarHBondContact OG-NE2 2.73Å; Q90-S92 VanDerWaalsContact OE1-N 3.12Å; Q90-Y123 HydrophobicContact CB-CE1 3.94Å; Q90-Y123 WeakPolarHBondContact CB-OH 3.4Å; Q90-Y123 WeakPolarHBondContact CG-OH 3.27Å; Q90-Y123 PolarHBondContact OE1-OH 2.94Å |
| 91 | P | 92.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | cis | -63.4 | 132.5 | -18.7 | 25.3 | -31.3 | 0 | 0 | 0 | 110.8 | Q45 I46 L108 Y123 W161 | Q45-P91 CarbonylContact C-O 3.59Å; Q45-P91 WeakPolarHBondContact CA-O 3.45Å; Q45-P91 WeakPolarHBondContact CG-O 3.17Å; I46-P91 HydrophobicContact CG2-CB 4.31Å; I46-P91 HydrophobicContact CG2-CG 3.69Å; I46-P91 PolarHBondContact N-O 3.27Å; P91-L108 HydrophobicContact CB-CD2 3.76Å; P91-L108 HydrophobicContact CG-CD2 4.05Å; P91-Y123 HydrophobicContact CB-CD1 4.02Å; P91-Y123 HydrophobicContact CB-CD2 3.9Å; P91-Y123 HydrophobicContact CB-CE1 4.2Å; P91-Y123 HydrophobicContact CB-CE2 4.09Å; P91-Y123 HydrophobicContact CB-CG 3.87Å; P91-Y123 HydrophobicContact CG-CD1 4.22Å; P91-Y123 HydrophobicContact CG-CG 4.25Å; P91-W161 HydrophobicContact CG-CB 4.39Å; P91-W161 HydrophobicContact CG-CD2 3.59Å; P91-W161 HydrophobicContact CG-CE3 3.9Å; P91-W161 HydrophobicContact CG-CG 3.8Å; P91-W161 HydrophobicContact CG-CZ2 4.37Å; P91-W161 HydrophobicContact CG-CZ3 4.37Å |
| 92 | S | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 155.6 | -179.5 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | R44 I89 Q90 R94 M113 | R44-S92 CarbonylContact O-C 3.6Å; R44-S92 WeakPolarHBondContact O-CA 3.22Å; I89-S92 WeakPolarHBondContact O-CA 3.41Å; I89-S92 PolarHBondContact O-N 2.89Å; Q90-S92 VanDerWaalsContact OE1-N 3.12Å; S92-R94 PolarHBondContact O-N 2.87Å; S92-R94 PolarHBondContact O-NE 3.33Å; S92-R94 PolarHBondContact OG-NH2 2.6Å; S92-M113 PolarHBondContact OG-SD 3.36Å |
| 93 | L | 91.2 | Very high | 82.1 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 133.7 | 171.2 | -173.4 | 66.1 | 0 | 0 | 0 | 109.2 | Y41 R44 D47 M113 | Y41-L93 HydrophobicContact CD1-CB 3.92Å; Y41-L93 HydrophobicContact CD1-CD2 3.91Å; Y41-L93 HydrophobicContact CD1-CG 3.69Å; Y41-L93 VanDerWaalsContact CD1-O 3.23Å; Y41-L93 WeakPolarHBondContact CD1-O 3.34Å; Y41-L93 HydrophobicContact CD2-CD2 4.07Å; Y41-L93 HydrophobicContact CE1-CB 4.43Å; Y41-L93 HydrophobicContact CE1-CD2 3.78Å; Y41-L93 HydrophobicContact CE1-CG 3.69Å; Y41-L93 HydrophobicContact CE2-CD2 3.99Å; Y41-L93 HydrophobicContact CG-CB 4.2Å; Y41-L93 HydrophobicContact CG-CD2 4.03Å; Y41-L93 HydrophobicContact CG-CG 4.2Å; R44-L93 HydrophobicContact CB-CB 4.2Å; R44-L93 PolarHBondContact O-N 3.39Å; D47-L93 WeakPolarHBondContact OD1-CD1 3.34Å; L93-M113 WeakPolarHBondContact O-CG 3.32Å |
| 94 | R | 93.8 | Very high | 83 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | trans | -161.4 | 160.5 | -172.7 | 62.4 | -173.8 | 72.2 | -166.9 | -3 | 112.6 | G31 I46 S92 H97 G110 R112 C118 | G31-R94 PolarHBondContact N-O 3.22Å; I46-R94 HydrophobicContact CD1-CG 3.84Å; I46-R94 HydrophobicContact CG1-CG 4.44Å; S92-R94 PolarHBondContact O-N 2.87Å; S92-R94 PolarHBondContact O-NE 3.33Å; S92-R94 PolarHBondContact OG-NH2 2.6Å; R94-H97 HydrophobicContact CG-CB 4.23Å; R94-H97 PolarHBondContact O-CE1 2.78Å; R94-H97 PolarHBondContact O-ND1 2.72Å; R94-G110 WeakPolarHBondContact CD-O 3.44Å; R94-G110 PolarHBondContact NH1-O 2.66Å; R94-R112 VanDerWaalsContact CA-O 3.28Å; R94-R112 WeakPolarHBondContact CA-O 3.04Å; R94-R112 WeakPolarHBondContact CB-O 3.18Å; R94-C118 VanDerWaalsContact CZ-SG 3.51Å | ||
| 95 | F | 93.4 | Very high | 84.3 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -135.6 | 162.5 | 175.5 | 59.9 | -91.3 | 0 | 0 | 0 | 110.8 | N16 F32 Y41 H97 G111 R112 | N16-F95 HydrophobicContact CB-CB 3.88Å; N16-F95 HydrophobicContact CB-CD2 4.25Å; N16-F95 WeakPolarHBondContact O-CA 3.35Å; F32-F95 HydrophobicContact CB-CB 4.04Å; F32-F95 HydrophobicContact CB-CD1 3.98Å; F32-F95 HydrophobicContact CB-CD2 4.4Å; F32-F95 HydrophobicContact CB-CG 3.91Å; F32-F95 HydrophobicContact CD2-CD1 4.24Å; F32-F95 HydrophobicContact CD2-CE1 4.05Å; F32-F95 HydrophobicContact CD2-CZ 4.46Å; Y41-F95 AromaticContact CE1-CD1 3.84Å; Y41-F95 HydrophobicContact CE1-CD1 3.84Å; Y41-F95 HydrophobicContact CE1-CE1 4.12Å; F95-H97 PolarHBondContact O-N 3.21Å; F95-G111 CarbonylContact O-C 3.47Å; F95-G111 WeakPolarHBondContact O-CA 3.41Å; F95-R112 HydrophobicContact CD1-CG 4.48Å; F95-R112 HydrophobicContact CD2-CG 3.74Å; F95-R112 HydrophobicContact CE1-CG 4.11Å; F95-R112 VanDerWaalsContact CE2-CD 3.42Å; F95-R112 HydrophobicContact CE2-CG 3.33Å; F95-R112 HydrophobicContact CG-CG 4.32Å; F95-R112 HydrophobicContact CZ-CG 3.53Å; F95-R112 PolarHBondContact N-O 3.02Å; F95-R112 PolarHBondContact O-N 3.14Å |
| 96 | G | 93.8 | Very high | 86.2 | Confident | 7 Ų | 7 | 19 Ų | 19 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 68.9 | 15.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N16 D176 G177 | N16-G96 PolarHBondContact O-N 3.08Å; G96-D176 WeakPolarHBondContact O-CA 3.43Å; G96-G177 PolarHBondContact O-N 3.24Å |
| 97 | H | 96.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 15.1 Ų | 15.1 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | trans | -84.5 | 169.5 | 174.2 | 61.2 | -86.7 | 0 | 0 | 0 | 110.5 | F29 R94 F95 L108 G110 | F29-H97 PolarHBondContact O-CE1 3.39Å; F29-H97 VanDerWaalsContact O-CE1 3.27Å; F29-H97 PolarHBondContact O-NE2 3.47Å; R94-H97 HydrophobicContact CG-CB 4.23Å; R94-H97 PolarHBondContact O-CE1 2.78Å; R94-H97 PolarHBondContact O-ND1 2.72Å; F95-H97 PolarHBondContact O-N 3.21Å; H97-L108 HydrophobicContact CB-CD1 3.82Å; H97-L108 WeakPolarHBondContact CD2-CD1 3.45Å; H97-G110 VanDerWaalsContact CB-O 3.29Å; H97-G110 WeakPolarHBondContact CB-O 3.3Å | ||
| 98 | T | 97.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 12.1 Ų | 12.1 | 4% | 0.043 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.6 | 168.5 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | L108 F109 H178 A180 | T98-L108 WeakPolarHBondContact O-CA 3.47Å; T98-F109 PolarHBondContact N-O 3.45Å; T98-F109 PolarHBondContact O-N 2.96Å; T98-H178 VanDerWaalsContact CG2-CD2 3.46Å; T98-H178 WeakPolarHBondContact CG2-CD2 3.39Å; T98-H178 WeakPolarHBondContact CG2-NE2 3.49Å; T98-H178 VanDerWaalsContact CG2-O 3.28Å; T98-H178 WeakPolarHBondContact CG2-O 3.31Å; T98-H178 PolarHBondContact OG1-CD2 2.68Å; T98-H178 PolarHBondContact OG1-NE2 2.89Å; T98-A180 HydrophobicContact CG2-CB 3.84Å; T98-A180 WeakPolarHBondContact OG1-CB 3.43Å |
| 99 | V | 97.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.1 | 170.9 | -169.7 | 0 | 0 | 0 | 0 | 107.3 | Q18 I20 F29 W107 L108 | Q18-V99 HydrophobicContact CB-CB 4.24Å; Q18-V99 HydrophobicContact CB-CG2 4.14Å; Q18-V99 HydrophobicContact CG-CB 3.77Å; Q18-V99 HydrophobicContact CG-CG2 4.23Å; Q18-V99 WeakPolarHBondContact CG-O 3.09Å; Q18-V99 PolarHBondContact NE2-O 2.83Å; Q18-V99 VanDerWaalsContact NE2-O 3.12Å; I20-V99 HydrophobicContact CD1-CG1 4Å; I20-V99 HydrophobicContact CG2-CB 4.13Å; I20-V99 HydrophobicContact CG2-CG1 3.92Å; I20-V99 VanDerWaalsContact CG2-O 3.31Å; I20-V99 WeakPolarHBondContact CG2-O 3.16Å; F29-V99 HydrophobicContact CB-CG2 4.03Å; F29-V99 HydrophobicContact CD2-CB 4.03Å; F29-V99 HydrophobicContact CD2-CG1 3.96Å; F29-V99 HydrophobicContact CD2-CG2 3.87Å; F29-V99 HydrophobicContact CE2-CB 4.35Å; F29-V99 HydrophobicContact CE2-CG1 3.83Å; F29-V99 HydrophobicContact CG-CG2 4.01Å; F29-V99 HydrophobicContact CZ-CG1 4.33Å; V99-W107 WeakPolarHBondContact CA-O 3.2Å; V99-L108 HydrophobicContact CG2-CB 4.16Å; V99-L108 HydrophobicContact CG2-CD1 3.72Å |
| 100 | V | 94.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 7.3 Ų | 7.3 | 6% | 0.061 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.1 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | G106 W107 A180 V182 M187 | V100-G106 CarbonylContact O-C 3.54Å; V100-G106 WeakPolarHBondContact O-CA 3.47Å; V100-W107 HydrophobicContact CG2-CB 3.89Å; V100-W107 PolarHBondContact N-O 3.38Å; V100-W107 PolarHBondContact O-N 3.3Å; V100-A180 HydrophobicContact CG1-CB 3.87Å; V100-V182 HydrophobicContact CB-CG2 3.64Å; V100-V182 HydrophobicContact CG1-CG2 4.32Å; V100-V182 HydrophobicContact CG2-CG2 3.48Å; V100-V182 VanDerWaalsContact CG2-CG2 3.48Å; V100-M187 HydrophobicContact CG1-CE 4.45Å; V100-M187 HydrophobicContact CG2-CE 4.07Å; V100-M187 HydrophobicContact CG2-CG 4.02Å; V100-M187 HydrophobicContact CG2-SD 3.81Å |
| 101 | A | 91.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 6.4 Ų | 6.4 | 12% | 0.124 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I20 L22 R105 | I20-A101 HydrophobicContact CB-CB 4.13Å; I20-A101 HydrophobicContact CD1-CB 4.36Å; I20-A101 HydrophobicContact CG1-CB 4.48Å; L22-A101 HydrophobicContact CD2-CB 3.83Å; A101-R105 WeakPolarHBondContact CA-O 3.32Å |
| 102 | W | 87.2 | Confident | 92.5 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 131.3 | 167.3 | 179.2 | 78.3 | 0 | 0 | 0 | 110.2 | G104 R105 W107 V182 D185 F209 W374 | W102-G104 VanDerWaalsContact C-N 3.31Å; W102-G104 PolarHBondContact O-N 2.89Å; W102-R105 PolarHBondContact N-O 2.94Å; W102-R105 PolarHBondContact O-N 2.76Å; W102-W107 AromaticContact CE3-CE2 3.81Å; W102-W107 AromaticContact CE3-CZ2 3.75Å; W102-W107 HydrophobicContact CE3-CZ2 3.75Å; W102-W107 AromaticContact CE3-NE1 3.68Å; W102-W107 AromaticContact CZ3-CZ2 3.93Å; W102-W107 HydrophobicContact CZ3-CZ2 3.93Å; W102-W107 PolarHBondContact O-NE1 3.08Å; W102-W107 VanDerWaalsContact O-NE1 3.15Å; W102-V182 HydrophobicContact CB-CG1 4.21Å; W102-V182 HydrophobicContact CB-CG2 4.21Å; W102-V182 HydrophobicContact CG-CG1 4.17Å; W102-D185 HydrophobicContact CZ2-CB 4.11Å; W102-D185 PolarHBondContact NE1-OD1 3.04Å; W102-F209 HydrophobicContact CB-CE2 4.04Å; W102-F209 HydrophobicContact CB-CZ 4.46Å; W102-F209 HydrophobicContact CD2-CB 4.31Å; W102-F209 AromaticContact CD2-CD2 3.48Å; W102-F209 HydrophobicContact CD2-CD2 3.48Å; W102-F209 VanDerWaalsContact CD2-CD2 3.48Å; W102-F209 AromaticContact CD2-CE2 3.79Å; W102-F209 HydrophobicContact CD2-CE2 3.79Å; W102-F209 AromaticContact CD2-CG 3.92Å; W102-F209 HydrophobicContact CD2-CG 3.92Å; W102-F209 HydrophobicContact CD2-CZ 4.46Å; W102-F209 AromaticContact CE2-CD2 3.61Å; W102-F209 HydrophobicContact CE3-CB 4.06Å; W102-F209 AromaticContact CE3-CD1 3.98Å; W102-F209 HydrophobicContact CE3-CD1 3.98Å; W102-F209 AromaticContact CE3-CD2 3.72Å; W102-F209 HydrophobicContact CE3-CD2 3.72Å; W102-F209 HydrophobicContact CE3-CE1 4.3Å; W102-F209 HydrophobicContact CE3-CE2 4.05Å; W102-F209 AromaticContact CE3-CG 3.69Å; W102-F209 HydrophobicContact CE3-CG 3.69Å; W102-F209 HydrophobicContact CE3-CZ 4.32Å; W102-F209 AromaticContact CG-CD2 3.91Å; W102-F209 HydrophobicContact CG-CD2 3.91Å; W102-F209 AromaticContact CG-CE2 3.8Å; W102-F209 HydrophobicContact CG-CE2 3.8Å; W102-F209 HydrophobicContact CH2-CB 3.17Å; W102-F209 HydrophobicContact CH2-CD1 4.49Å; W102-F209 HydrophobicContact CH2-CD2 4.23Å; W102-F209 AromaticContact CH2-CG 3.79Å; W102-F209 HydrophobicContact CH2-CG 3.79Å; W102-F209 HydrophobicContact CZ2-CB 3.44Å; W102-F209 VanDerWaalsContact CZ2-CB 3.44Å; W102-F209 AromaticContact CZ2-CD2 3.99Å; W102-F209 HydrophobicContact CZ2-CD2 3.99Å; W102-F209 AromaticContact CZ2-CG 3.98Å; W102-F209 HydrophobicContact CZ2-CG 3.98Å; W102-F209 HydrophobicContact CZ3-CB 3.49Å; W102-F209 VanDerWaalsContact CZ3-CB 3.49Å; W102-F209 AromaticContact CZ3-CD1 3.93Å; W102-F209 HydrophobicContact CZ3-CD1 3.93Å; W102-F209 HydrophobicContact CZ3-CD2 4.08Å; W102-F209 AromaticContact CZ3-CG 3.61Å; W102-F209 HydrophobicContact CZ3-CG 3.61Å; W102-W374 HydrophobicContact CE3-CE3 4.44Å; W102-W374 AromaticContact CH2-CE3 3.73Å; W102-W374 HydrophobicContact CH2-CE3 3.73Å; W102-W374 HydrophobicContact CH2-CZ3 4.2Å; W102-W374 HydrophobicContact CZ3-CD2 4.43Å; W102-W374 AromaticContact CZ3-CE3 3.34Å; W102-W374 HydrophobicContact CZ3-CE3 3.34Å; W102-W374 AromaticContact CZ3-CZ3 3.64Å; W102-W374 HydrophobicContact CZ3-CZ3 3.64Å |
| 103 | R | 80 | Confident | 92.4 | Very high | 13 Ų | 13 | 9.1 Ų | 9.1 | 5% | 0.049 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.3 | -179.5 | -66.7 | -170.6 | 178 | 165.7 | -5.3 | 114.3 | R105 D185 W368 W374 S377 P378 | R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3Å; R103-D185 IonicContact CZ-OD1 3.09Å; R103-D185 IonicContact NE-OD1 2.89Å; R103-D185 PolarHBondContact NE-OD1 3.49Å; R103-D185 IonicContact NH1-OD1 3.1Å; R103-D185 IonicContact NH2-OD1 3.1Å; R103-D185 PolarHBondContact NH2-OD1 3.09Å; R103-D185 IonicContact NH2-OD2 2.67Å; R103-D185 PolarHBondContact NH2-OD2 3.31Å; R103-W368 HydrophobicContact CG-CB 4.47Å; R103-W368 HydrophobicContact CG-CD2 3.68Å; R103-W368 HydrophobicContact CG-CE3 3.74Å; R103-W368 HydrophobicContact CG-CG 4.04Å; R103-W368 HydrophobicContact CG-CH2 4.39Å; R103-W368 HydrophobicContact CG-CZ2 4.35Å; R103-W368 HydrophobicContact CG-CZ3 4.13Å; R103-W368 VanDerWaalsContact NE-CH2 3.26Å; R103-W374 HydrophobicContact CB-CB 3.7Å; R103-W374 HydrophobicContact CG-CB 4.23Å; R103-W374 PolarHBondContact NH1-O 3.13Å; R103-S377 PolarHBondContact NH1-O 3.31Å; R103-P378 PolarHBondContact NH2-O 2.74Å |
| 104 | G | 81.9 | Confident | 91.8 | Very high | 16 Ų | 16 | 12 Ų | 12 | 17% | 0.165 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 13.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W102 P127 | W102-G104 VanDerWaalsContact C-N 3.31Å; W102-G104 PolarHBondContact O-N 2.89Å; G104-P127 WeakPolarHBondContact O-CD 3.48Å; G104-P127 WeakPolarHBondContact O-CG 3.39Å |
| 105 | R | 89.4 | Confident | 91.1 | Very high | 28 Ų | 28 | 20.2 Ų | 20.2 | 11% | 0.106 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 159.1 | 179.5 | -65.4 | -162.1 | -167.5 | 86.3 | -1 | 111.9 | A101 W102 R103 M124 F125 D126 W374 | A101-R105 WeakPolarHBondContact CA-O 3.32Å; W102-R105 PolarHBondContact N-O 2.94Å; W102-R105 PolarHBondContact O-N 2.76Å; R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3Å; R105-M124 HydrophobicContact CB-CG 4.25Å; R105-M124 WeakPolarHBondContact CD-SD 3.47Å; R105-F125 WeakPolarHBondContact CA-O 3.37Å; R105-F125 VanDerWaalsContact CB-O 3.27Å; R105-F125 WeakPolarHBondContact CB-O 3.34Å; R105-D126 IonicContact CZ-OD2 3.64Å; R105-D126 IonicContact NE-OD2 3.68Å; R105-D126 PolarHBondContact NE-OD2 3.25Å; R105-D126 IonicContact NH2-OD2 3.29Å; R105-W374 VanDerWaalsContact CZ-CD1 3.49Å; R105-W374 VanDerWaalsContact CZ-NE1 3.32Å; R105-W374 VanDerWaalsContact NH1-CD2 3.28Å; R105-W374 VanDerWaalsContact NH2-NE1 3.13Å |
| 106 | G | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 143.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | I20 V100 M124 F125 | I20-G106 VanDerWaalsContact CD1-CA 3.43Å; V100-G106 CarbonylContact O-C 3.54Å; V100-G106 WeakPolarHBondContact O-CA 3.47Å; G106-M124 CarbonylContact O-C 3.55Å; G106-M124 WeakPolarHBondContact O-CA 3.24Å; G106-F125 PolarHBondContact N-O 2.89Å; G106-F125 PolarHBondContact O-N 3.38Å |
| 107 | W | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 110.5 | 178.3 | -60.3 | 84.9 | 0 | 0 | 0 | 109.3 | V99 V100 W102 L122 Y123 M124 V164 F209 W212 W374 | V99-W107 WeakPolarHBondContact CA-O 3.2Å; V100-W107 HydrophobicContact CG2-CB 3.89Å; V100-W107 PolarHBondContact N-O 3.38Å; V100-W107 PolarHBondContact O-N 3.3Å; W102-W107 AromaticContact CE3-CE2 3.81Å; W102-W107 AromaticContact CE3-CZ2 3.75Å; W102-W107 HydrophobicContact CE3-CZ2 3.75Å; W102-W107 AromaticContact CE3-NE1 3.68Å; W102-W107 AromaticContact CZ3-CZ2 3.93Å; W102-W107 HydrophobicContact CZ3-CZ2 3.93Å; W102-W107 PolarHBondContact O-NE1 3.08Å; W102-W107 VanDerWaalsContact O-NE1 3.15Å; W107-L122 HydrophobicContact CE3-CD2 4.21Å; W107-L122 HydrophobicContact CE3-CG 4.42Å; W107-L122 HydrophobicContact CZ3-CD2 4.46Å; W107-Y123 CarbonylContact C-O 3.56Å; W107-Y123 WeakPolarHBondContact CA-O 3.31Å; W107-M124 HydrophobicContact CD2-CG 4.48Å; W107-M124 HydrophobicContact CE3-CB 4.14Å; W107-M124 HydrophobicContact CE3-CG 4.33Å; W107-M124 HydrophobicContact CH2-CB 4.13Å; W107-M124 HydrophobicContact CH2-CG 3.74Å; W107-M124 HydrophobicContact CH2-SD 3.52Å; W107-M124 VanDerWaalsContact CH2-SD 3.52Å; W107-M124 HydrophobicContact CZ2-CG 3.97Å; W107-M124 HydrophobicContact CZ2-SD 3.91Å; W107-M124 HydrophobicContact CZ3-CB 3.86Å; W107-M124 HydrophobicContact CZ3-CG 3.98Å; W107-M124 HydrophobicContact CZ3-SD 4.2Å; W107-V164 HydrophobicContact CE3-CG2 4.4Å; W107-V164 HydrophobicContact CZ3-CG2 3.81Å; W107-F209 HydrophobicContact CB-CZ 4.47Å; W107-F209 AromaticContact CD2-CE1 3.64Å; W107-F209 HydrophobicContact CD2-CE1 3.64Å; W107-F209 HydrophobicContact CD2-CZ 4.03Å; W107-F209 AromaticContact CE2-CE1 3.99Å; W107-F209 AromaticContact CE3-CE1 3.75Å; W107-F209 HydrophobicContact CE3-CE1 3.75Å; W107-F209 HydrophobicContact CG-CE1 4.07Å; W107-F209 AromaticContact CG-CZ 3.96Å; W107-F209 HydrophobicContact CG-CZ 3.96Å; W107-F209 HydrophobicContact CZ2-CE1 4.43Å; W107-F209 HydrophobicContact CZ3-CE1 4.21Å; W107-W212 AromaticContact CH2-CH2 3.49Å; W107-W212 HydrophobicContact CH2-CH2 3.49Å; W107-W212 VanDerWaalsContact CH2-CH2 3.49Å; W107-W212 HydrophobicContact CH2-CZ3 4.1Å; W107-W212 AromaticContact CZ3-CH2 3.59Å; W107-W212 HydrophobicContact CZ3-CH2 3.59Å; W107-W212 AromaticContact CZ3-CZ3 3.73Å; W107-W212 HydrophobicContact CZ3-CZ3 3.73Å; W107-W374 AromaticContact CH2-CH2 3.68Å; W107-W374 HydrophobicContact CH2-CH2 3.68Å; W107-W374 AromaticContact CH2-CZ3 3.8Å; W107-W374 HydrophobicContact CH2-CZ3 3.8Å; W107-W374 HydrophobicContact CZ2-CE3 4.48Å; W107-W374 HydrophobicContact CZ2-CH2 4.2Å; W107-W374 HydrophobicContact CZ2-CZ3 4Å |
| 108 | L | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129 | -173.7 | 167.7 | 66.8 | 0 | 0 | 0 | 110.6 | I46 P91 H97 T98 V99 Y123 W161 | I46-L108 HydrophobicContact CD1-CD1 4.44Å; I46-L108 HydrophobicContact CD1-CD2 4.06Å; P91-L108 HydrophobicContact CB-CD2 3.76Å; P91-L108 HydrophobicContact CG-CD2 4.05Å; H97-L108 HydrophobicContact CB-CD1 3.82Å; H97-L108 WeakPolarHBondContact CD2-CD1 3.45Å; T98-L108 WeakPolarHBondContact O-CA 3.47Å; V99-L108 HydrophobicContact CG2-CB 4.16Å; V99-L108 HydrophobicContact CG2-CD1 3.72Å; L108-Y123 PolarHBondContact N-O 2.88Å; L108-Y123 PolarHBondContact O-N 2.89Å; L108-Y123 VanDerWaalsContact O-N 3.08Å; L108-W161 HydrophobicContact CB-CH2 4.29Å; L108-W161 HydrophobicContact CB-CZ3 3.96Å; L108-W161 HydrophobicContact CD2-CH2 4.03Å; L108-W161 HydrophobicContact CD2-CZ3 4.03Å |
| 109 | F | 97.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.6 | 173.8 | -176.4 | -92.5 | 0 | 0 | 0 | 112.4 | T98 N120 L122 P172 R175 H178 M187 I189 W214 | T98-F109 PolarHBondContact N-O 3.45Å; T98-F109 PolarHBondContact O-N 2.96Å; F109-N120 HydrophobicContact CE2-CB 4.15Å; F109-N120 WeakPolarHBondContact CE2-O 3.33Å; F109-N120 HydrophobicContact CZ-CB 4.32Å; F109-L122 HydrophobicContact CB-CD1 4.46Å; F109-P172 HydrophobicContact CE1-CB 4.11Å; F109-P172 HydrophobicContact CE1-CG 4.12Å; F109-P172 HydrophobicContact CE2-CG 4.35Å; F109-P172 HydrophobicContact CZ-CB 3.76Å; F109-P172 HydrophobicContact CZ-CG 3.7Å; F109-R175 HydrophobicContact CE1-CG 4.2Å; F109-H178 AromaticContact CD1-CE1 3.98Å; F109-H178 AromaticContact CD1-NE2 3.62Å; F109-H178 PolarHBondContact O-CE1 2.86Å; F109-H178 PolarHBondContact O-NE2 3.47Å; F109-M187 HydrophobicContact CB-CE 4.01Å; F109-I189 HydrophobicContact CB-CD1 4.26Å; F109-I189 HydrophobicContact CD1-CD1 3.29Å; F109-I189 HydrophobicContact CD2-CD1 4.4Å; F109-I189 HydrophobicContact CE1-CD1 3.64Å; F109-I189 HydrophobicContact CG-CD1 3.72Å; F109-I189 HydrophobicContact CZ-CD1 4.33Å; F109-W214 HydrophobicContact CD2-CZ2 4.34Å; F109-W214 HydrophobicContact CE2-CZ2 4.41Å |
| 110 | G | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | 60.7 | -147.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R94 H97 | R94-G110 WeakPolarHBondContact CD-O 3.44Å; R94-G110 PolarHBondContact NH1-O 2.66Å; H97-G110 VanDerWaalsContact CB-O 3.29Å; H97-G110 WeakPolarHBondContact CB-O 3.3Å | ||
| 111 | G | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | 91.9 | -174.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F95 C118 R175 | F95-G111 CarbonylContact O-C 3.47Å; F95-G111 WeakPolarHBondContact O-CA 3.41Å; G111-C118 WeakPolarHBondContact O-CB 3.4Å; G111-C118 PolarHBondContact O-N 3.45Å; G111-R175 PolarHBondContact N-O 2.9Å | ||
| 112 | R | 91.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 19% | 0.185 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 154.3 | 178.1 | 71.6 | -173.8 | -58.9 | 130.8 | 5.2 | 112.5 | R94 F95 V117 D176 D195 | R94-R112 VanDerWaalsContact CA-O 3.28Å; R94-R112 WeakPolarHBondContact CA-O 3.04Å; R94-R112 WeakPolarHBondContact CB-O 3.18Å; F95-R112 HydrophobicContact CD1-CG 4.48Å; F95-R112 HydrophobicContact CD2-CG 3.74Å; F95-R112 HydrophobicContact CE1-CG 4.11Å; F95-R112 VanDerWaalsContact CE2-CD 3.42Å; F95-R112 HydrophobicContact CE2-CG 3.33Å; F95-R112 HydrophobicContact CG-CG 4.32Å; F95-R112 HydrophobicContact CZ-CG 3.53Å; F95-R112 PolarHBondContact N-O 3.02Å; F95-R112 PolarHBondContact O-N 3.14Å; R112-V117 HydrophobicContact CB-CG1 4.27Å; R112-D176 HydrophobicContact CB-CB 3.96Å; R112-D176 WeakPolarHBondContact CD-OD2 3.47Å; R112-D176 HydrophobicContact CG-CB 4.08Å; R112-D176 IonicContact CZ-OD1 3.86Å; R112-D176 IonicContact NH1-OD1 3.14Å; R112-D176 PolarHBondContact NH1-OD1 3.27Å; R112-D195 IonicContact CZ-OD1 2.7Å; R112-D195 IonicContact CZ-OD2 3.66Å; R112-D195 IonicContact NH1-OD1 3.64Å; R112-D195 PolarHBondContact NH1-OD1 3.06Å; R112-D195 IonicContact NH1-OD2 3.77Å; R112-D195 IonicContact NH2-OD1 3.61Å; R112-D195 PolarHBondContact NH2-OD1 2.83Å; R112-D195 IonicContact NH2-OD2 2.78Å; R112-D195 PolarHBondContact NH2-OD2 2.76Å |
| 113 | M | 87.4 | Confident | 89.6 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | trans | -93.8 | -179.3 | 163.3 | -62.4 | 177.3 | -64 | 0 | 0 | 108.1 | N42 S92 L93 Q115 Q116 | N42-M113 WeakPolarHBondContact OD1-CE 3.48Å; N42-M113 PolarHBondContact OD1-SD 3.19Å; S92-M113 PolarHBondContact OG-SD 3.36Å; L93-M113 WeakPolarHBondContact O-CG 3.32Å; M113-Q115 VanDerWaalsContact C-N 3.29Å; M113-Q115 PolarHBondContact O-N 3.22Å; M113-Q116 HydrophobicContact CE-CG 3.62Å; M113-Q116 VanDerWaalsContact CE-NE2 3.32Å; M113-Q116 PolarHBondContact N-O 3.1Å | ||
| 114 | Q | 79.3 | Confident | 90.2 | Very high | 64 Ų | 64 | 30.7 Ų | 30.7 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -54.3 | -45 | -177.3 | -161.4 | 89.6 | -17.3 | 0 | 0 | 112.7 | ||
| 115 | Q | 78.8 | Confident | 90.8 | Very high | 175 Ų | 175 | 29.9 Ų | 29.9 | 82% | 0.818 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -104.9 | -19.3 | -171.8 | -68.4 | 176 | -16.7 | 0 | 0 | 114.4 | M113 | M113-Q115 VanDerWaalsContact C-N 3.29Å; M113-Q115 PolarHBondContact O-N 3.22Å |
| 116 | Q | 83 | Confident | 90.9 | Very high | 103 Ų | 103 | 29.2 Ų | 29.2 | 48% | 0.481 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -152.3 | 150.8 | -173.8 | 64.4 | -179.3 | 1.5 | 0 | 0 | 112.6 | M113 | M113-Q116 HydrophobicContact CE-CG 3.62Å; M113-Q116 VanDerWaalsContact CE-NE2 3.32Å; M113-Q116 PolarHBondContact N-O 3.1Å |
| 117 | V | 88 | Confident | 90.6 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 10% | 0.097 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -56.2 | 142.9 | 163.4 | -78.5 | 0 | 0 | 0 | 0 | 112 | R112 A174 D176 D195 | R112-V117 HydrophobicContact CB-CG1 4.27Å; V117-A174 HydrophobicContact CB-CB 4.07Å; V117-A174 HydrophobicContact CG2-CB 3.62Å; V117-D176 HydrophobicContact CG1-CB 4.47Å; V117-D195 HydrophobicContact CG1-CB 4.12Å; V117-D195 WeakPolarHBondContact CG1-OD2 3.44Å; V117-D195 HydrophobicContact CG2-CB 3.98Å; V117-D195 PolarHBondContact N-OD2 3.31Å |
| 118 | C | 89.8 | Confident | 90 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 145.5 | 175.4 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | R94 G111 A174 | R94-C118 VanDerWaalsContact CZ-SG 3.51Å; G111-C118 WeakPolarHBondContact O-CB 3.4Å; G111-C118 PolarHBondContact O-N 3.45Å; C118-A174 WeakPolarHBondContact O-CB 3.31Å |
| 119 | P | 86.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 31.2 Ų | 31.2 | 40% | 0.403 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 161.2 | 172.6 | -23.6 | 33.1 | 0 | 0 | 0 | 113.3 | Q121 | P119-Q121 PolarHBondContact O-N 3.13Š|
| 120 | N | 88.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -76 | 15.2 | -173.5 | -46.8 | -13.1 | 0 | 0 | 0 | 113.7 | F109 L122 V171 P172 S173 A174 | F109-N120 HydrophobicContact CE2-CB 4.15Å; F109-N120 WeakPolarHBondContact CE2-O 3.33Å; F109-N120 HydrophobicContact CZ-CB 4.32Å; N120-L122 PolarHBondContact O-N 2.97Å; N120-V171 HydrophobicContact CB-CG1 3.87Å; N120-P172 WeakPolarHBondContact CB-O 3.34Å; N120-P172 PolarHBondContact ND2-O 2.84Å; N120-S173 WeakPolarHBondContact ND2-CA 3.42Å; N120-A174 WeakPolarHBondContact OD1-CA 3.39Å; N120-A174 VanDerWaalsContact OD1-CB 3.24Å; N120-A174 WeakPolarHBondContact OD1-CB 3.42Å; N120-A174 PolarHBondContact OD1-N 3.35Å |
| 121 | Q | 92.1 | Very high | 84 | Confident | 63 Ų | 63 | 40.4 Ų | 40.4 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | trans | -63.8 | 134.7 | 178.5 | -73.6 | 171.4 | -45.6 | 0 | 0 | 110 | P119 Y123 E163 | P119-Q121 PolarHBondContact O-N 3.13Å; Q121-Y123 HydrophobicContact CB-CD2 4.3Å; Q121-Y123 HydrophobicContact CB-CE2 3.54Å; Q121-Y123 PolarHBondContact OE1-OH 3.08Å; Q121-E163 PolarHBondContact NE2-OE1 2.88Å | ||
| 122 | L | 95.6 | Very high | 81.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -92.5 | 130 | 174.5 | -178.7 | 70 | 0 | 0 | 0 | 109.2 | W107 F109 N120 V164 T167 L207 W212 | W107-L122 HydrophobicContact CE3-CD2 4.21Å; W107-L122 HydrophobicContact CE3-CG 4.42Å; W107-L122 HydrophobicContact CZ3-CD2 4.46Å; F109-L122 HydrophobicContact CB-CD1 4.46Å; N120-L122 PolarHBondContact O-N 2.97Å; L122-V164 HydrophobicContact CB-CB 4.14Å; L122-V164 HydrophobicContact CD2-CB 4.02Å; L122-V164 HydrophobicContact CD2-CG1 3.96Å; L122-V164 HydrophobicContact CD2-CG2 4.18Å; L122-V164 HydrophobicContact CG-CB 4.1Å; L122-V164 HydrophobicContact CG-CG2 4.09Å; L122-V164 WeakPolarHBondContact O-CB 3.22Å; L122-V164 PolarHBondContact O-N 3.23Å; L122-T167 HydrophobicContact CD2-CG2 4.32Å; L122-L207 HydrophobicContact CD2-CD2 3.46Å; L122-L207 VanDerWaalsContact CD2-CD2 3.46Å; L122-W212 HydrophobicContact CD2-CZ3 4.37Å | ||
| 123 | Y | 95.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.4 | 176.3 | -67.2 | -88.3 | 0 | 0 | 0 | 111.1 | L67 Q90 P91 W107 L108 Q121 A162 E163 | L67-Y123 HydrophobicContact CD1-CE1 4.41Å; Q90-Y123 HydrophobicContact CB-CE1 3.94Å; Q90-Y123 WeakPolarHBondContact CB-OH 3.4Å; Q90-Y123 WeakPolarHBondContact CG-OH 3.27Å; Q90-Y123 PolarHBondContact OE1-OH 2.94Å; P91-Y123 HydrophobicContact CB-CD1 4.02Å; P91-Y123 HydrophobicContact CB-CD2 3.9Å; P91-Y123 HydrophobicContact CB-CE1 4.2Å; P91-Y123 HydrophobicContact CB-CE2 4.09Å; P91-Y123 HydrophobicContact CB-CG 3.87Å; P91-Y123 HydrophobicContact CG-CD1 4.22Å; P91-Y123 HydrophobicContact CG-CG 4.25Å; W107-Y123 CarbonylContact C-O 3.56Å; W107-Y123 WeakPolarHBondContact CA-O 3.31Å; L108-Y123 PolarHBondContact N-O 2.88Å; L108-Y123 PolarHBondContact O-N 2.89Å; L108-Y123 VanDerWaalsContact O-N 3.08Å; Q121-Y123 HydrophobicContact CB-CD2 4.3Å; Q121-Y123 HydrophobicContact CB-CE2 3.54Å; Q121-Y123 PolarHBondContact OE1-OH 3.08Å; Y123-A162 CarbonylContact C-O 3.53Å; Y123-A162 VanDerWaalsContact CA-O 3.32Å; Y123-A162 WeakPolarHBondContact CA-O 3.1Å; Y123-E163 HydrophobicContact CD1-CB 4.25Å; Y123-E163 HydrophobicContact CE1-CB 3.93Å; Y123-E163 HydrophobicContact CE1-CG 4.14Å |
| 124 | M | 94.1 | Very high | 76 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.2 | 175 | -178.2 | -172.6 | 73.1 | 0 | 0 | 109.8 | W77 R105 G106 W107 W161 A162 V164 W374 | W77-M124 HydrophobicContact CH2-CE 3.24Å; W77-M124 HydrophobicContact CZ2-CE 3.84Å; W77-M124 HydrophobicContact CZ3-CE 3.9Å; R105-M124 HydrophobicContact CB-CG 4.25Å; R105-M124 WeakPolarHBondContact CD-SD 3.47Å; G106-M124 CarbonylContact O-C 3.55Å; G106-M124 WeakPolarHBondContact O-CA 3.24Å; W107-M124 HydrophobicContact CD2-CG 4.48Å; W107-M124 HydrophobicContact CE3-CB 4.14Å; W107-M124 HydrophobicContact CE3-CG 4.33Å; W107-M124 HydrophobicContact CH2-CB 4.13Å; W107-M124 HydrophobicContact CH2-CG 3.74Å; W107-M124 HydrophobicContact CH2-SD 3.52Å; W107-M124 VanDerWaalsContact CH2-SD 3.52Å; W107-M124 HydrophobicContact CZ2-CG 3.97Å; W107-M124 HydrophobicContact CZ2-SD 3.91Å; W107-M124 HydrophobicContact CZ3-CB 3.86Å; W107-M124 HydrophobicContact CZ3-CG 3.98Å; W107-M124 HydrophobicContact CZ3-SD 4.2Å; M124-W161 CarbonylContact O-C 3.55Å; M124-W161 WeakPolarHBondContact O-CA 3.35Å; M124-A162 HydrophobicContact CB-CB 4.28Å; M124-A162 HydrophobicContact CE-CB 3.84Å; M124-A162 PolarHBondContact N-O 3.21Å; M124-A162 PolarHBondContact O-N 3.26Å; M124-V164 HydrophobicContact CB-CG2 3.86Å; M124-W374 HydrophobicContact SD-CH2 4.42Å; M124-W374 HydrophobicContact SD-CZ2 4.17Å |
| 125 | F | 94.3 | Very high | 73.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.9 | 169.4 | 178.8 | -111.1 | 0 | 0 | 0 | 109.9 | L22 F27 F29 T48 L61 L65 R105 G106 P127 P159 W161 | L22-F125 HydrophobicContact CD1-CD1 4.23Å; L22-F125 HydrophobicContact CD1-CE1 4.4Å; F27-F125 AromaticContact CD1-CE1 3.59Å; F27-F125 HydrophobicContact CD1-CE1 3.59Å; F27-F125 AromaticContact CD1-CZ 3.69Å; F27-F125 HydrophobicContact CD1-CZ 3.69Å; F27-F125 HydrophobicContact CD2-CE1 4.35Å; F27-F125 AromaticContact CE1-CE1 3.72Å; F27-F125 HydrophobicContact CE1-CE1 3.72Å; F27-F125 AromaticContact CE1-CZ 3.68Å; F27-F125 HydrophobicContact CE1-CZ 3.68Å; F27-F125 HydrophobicContact CE2-CE1 4.47Å; F27-F125 AromaticContact CG-CE1 3.91Å; F27-F125 HydrophobicContact CG-CE1 3.91Å; F27-F125 HydrophobicContact CG-CZ 4.46Å; F27-F125 HydrophobicContact CZ-CE1 4.16Å; F27-F125 HydrophobicContact CZ-CZ 4.46Å; F29-F125 HydrophobicContact CE1-CB 4.27Å; F29-F125 AromaticContact CE1-CD1 3.79Å; F29-F125 HydrophobicContact CE1-CD1 3.79Å; F29-F125 HydrophobicContact CE1-CD2 4.08Å; F29-F125 HydrophobicContact CE1-CE1 4.08Å; F29-F125 HydrophobicContact CE1-CE2 4.36Å; F29-F125 AromaticContact CE1-CG 3.78Å; F29-F125 HydrophobicContact CE1-CG 3.78Å; F29-F125 HydrophobicContact CE1-CZ 4.36Å; F29-F125 AromaticContact CZ-CD1 3.73Å; F29-F125 HydrophobicContact CZ-CD1 3.73Å; F29-F125 HydrophobicContact CZ-CE1 4.06Å; F29-F125 HydrophobicContact CZ-CG 4.14Å; T48-F125 HydrophobicContact CG2-CE2 4.11Å; T48-F125 HydrophobicContact CG2-CZ 4.06Å; L61-F125 HydrophobicContact CD1-CZ 4.48Å; L65-F125 HydrophobicContact CD1-CD2 4.37Å; L65-F125 HydrophobicContact CD1-CE2 3.74Å; R105-F125 WeakPolarHBondContact CA-O 3.37Å; R105-F125 VanDerWaalsContact CB-O 3.27Å; R105-F125 WeakPolarHBondContact CB-O 3.34Å; G106-F125 PolarHBondContact N-O 2.89Å; G106-F125 PolarHBondContact O-N 3.38Å; F125-P127 HydrophobicContact CE1-CB 3.98Å; F125-P159 HydrophobicContact CE2-CB 4.19Å; F125-P159 HydrophobicContact CZ-CB 4.2Å; F125-W161 HydrophobicContact CB-CD2 4.43Å; F125-W161 HydrophobicContact CB-CE3 3.82Å; F125-W161 HydrophobicContact CB-CH2 3.74Å; F125-W161 HydrophobicContact CB-CZ2 4.33Å; F125-W161 HydrophobicContact CB-CZ3 3.48Å; F125-W161 VanDerWaalsContact CB-CZ3 3.48Å; F125-W161 HydrophobicContact CD2-CD2 4.16Å; F125-W161 AromaticContact CD2-CE2 3.93Å; F125-W161 HydrophobicContact CD2-CE3 4.4Å; F125-W161 HydrophobicContact CD2-CH2 4.23Å; F125-W161 AromaticContact CD2-CZ2 3.95Å; F125-W161 HydrophobicContact CD2-CZ2 3.95Å; F125-W161 HydrophobicContact CD2-CZ3 4.46Å; F125-W161 HydrophobicContact CG-CH2 4.27Å; F125-W161 HydrophobicContact CG-CZ2 4.43Å; F125-W161 HydrophobicContact CG-CZ3 4.39Å |
| 126 | D | 90.4 | Very high | 71.5 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.2 | 167.4 | -161.3 | -47.9 | 0 | 0 | 0 | 109.1 | R105 G128 H157 P159 C160 | R105-D126 IonicContact CZ-OD2 3.64Å; R105-D126 IonicContact NE-OD2 3.68Å; R105-D126 PolarHBondContact NE-OD2 3.25Å; R105-D126 IonicContact NH2-OD2 3.29Å; D126-G128 PolarHBondContact O-N 3.38Å; D126-G128 VanDerWaalsContact O-N 3.13Å; D126-G128 PolarHBondContact OD1-N 2.9Å; D126-H157 IonicContact OD1-NE2 3.07Å; D126-H157 PolarHBondContact OD1-NE2 3.21Å; D126-H157 IonicContact OD2-NE2 3.65Å; D126-P159 CarbonylContact O-C 3.49Å; D126-P159 WeakPolarHBondContact O-CA 3.26Å; D126-C160 PolarHBondContact N-O 2.78Å; D126-C160 PolarHBondContact O-N 3.36Å |
| 127 | P | 88.6 | Confident | 68.8 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | trans | -69.9 | -3.6 | 178.9 | 31.7 | -38 | 0 | 0 | 0 | 113.6 | L22 F27 G104 F125 P159 | L22-P127 HydrophobicContact CD1-CB 4.11Å; L22-P127 HydrophobicContact CD1-CG 3.87Å; F27-P127 HydrophobicContact CE2-CB 4.13Å; F27-P127 HydrophobicContact CZ-CB 3.81Å; G104-P127 WeakPolarHBondContact O-CD 3.48Å; G104-P127 WeakPolarHBondContact O-CG 3.39Å; F125-P127 HydrophobicContact CE1-CB 3.98Å; P127-P159 WeakPolarHBondContact O-CG 3.4Å | ||
| 128 | G | 81.1 | Confident | 65.8 | Low | 6 Ų | 6 | 57.6 Ų | 57.6 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | trans | 79.8 | 156.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D126 K130 H157 | D126-G128 PolarHBondContact O-N 3.38Å; D126-G128 VanDerWaalsContact O-N 3.13Å; D126-G128 PolarHBondContact OD1-N 2.9Å; G128-K130 PolarHBondContact O-N 3.3Å; G128-H157 WeakPolarHBondContact CA-O 3.4Å | ||
| 129 | S | 68.9 | Low | 62.9 | Low | 25 Ų | 25 | 63.6 Ų | 63.6 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -81.9 | 11.8 | -174.2 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | F131 H157 | S129-F131 PolarHBondContact O-N 2.88Å; S129-H157 VanDerWaalsContact CB-ND1 3.28Å; S129-H157 WeakPolarHBondContact CB-ND1 3.38Å; S129-H157 PolarHBondContact N-CE1 2.59Å; S129-H157 PolarHBondContact N-ND1 3.45Å; S129-H157 PolarHBondContact N-O 3.42Å; S129-H157 PolarHBondContact OG-N 3Å; S129-H157 VanDerWaalsContact OG-N 3.1Å; S129-H157 PolarHBondContact OG-ND1 3.06Å |
| 130 | K | 49.1 | Very low | 60.2 | Low | 128 Ų | 128 | 67.1 Ų | 67.1 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.6 | -169.1 | -133.6 | -177 | -174.4 | -176 | 0 | 114.3 | G128 F156 | G128-K130 PolarHBondContact O-N 3.3Å; K130-F156 HydrophobicContact CG-CD1 4.41Å |
| 131 | F | 47.4 | Very low | 57.4 | Low | 65 Ų | 65 | 72.4 Ų | 72.4 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | 3 | -174.9 | -63.3 | -76.3 | 0 | 0 | 0 | 117.4 | S129 L133 Q134 | S129-F131 PolarHBondContact O-N 2.88Å; F131-L133 PolarHBondContact O-N 3.46Å; F131-Q134 PolarHBondContact O-N 3Å |
| 132 | L | 40.1 | Very low | 54.4 | Low | 93 Ų | 93 | 75.8 Ų | 75.8 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.8 | 173.8 | -77.8 | 173.3 | 0 | 0 | 0 | 113.1 | E23 S135 | E23-L132 WeakPolarHBondContact OE1-CD2 3.33Å; L132-S135 PolarHBondContact O-OG 2.83Å; L132-S135 VanDerWaalsContact O-OG 3.1Å |
| 133 | L | 33.1 | Very low | 51.2 | Low | 96 Ų | 96 | 78.5 Ų | 78.5 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -23.4 | 174.9 | -87.6 | 158.9 | 0 | 0 | 0 | 114.2 | F131 S135 V136 S137 F156 | F131-L133 PolarHBondContact O-N 3.46Å; L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 3.27Å; L133-V136 PolarHBondContact O-N 3.47Å; L133-V136 VanDerWaalsContact O-N 3.15Å; L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 3.49Å; L133-S137 PolarHBondContact O-OG 3.46Å; L133-F156 HydrophobicContact CD1-CE1 4.08Å; L133-F156 HydrophobicContact CD1-CZ 4Å |
| 134 | Q | 30.4 | Very low | 47.8 | Very low | 146 Ų | 146 | 84.3 Ų | 84.3 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.7 | -179 | -110.6 | 179.6 | -2.4 | 0 | 0 | 112.9 | F131 V136 | F131-Q134 PolarHBondContact O-N 3Å; Q134-V136 VanDerWaalsContact C-N 3.3Å |
| 135 | S | 32.9 | Very low | 44.6 | Very low | 101 Ų | 101 | 91.8 Ų | 91.8 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18 | 170.5 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | L132 L133 | L132-S135 PolarHBondContact O-OG 2.83Å; L132-S135 VanDerWaalsContact O-OG 3.1Å; L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 3.27Å |
| 136 | V | 30.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 100.8 Ų | 100.8 | 69% | 0.685 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -24.2 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 113.1 | L133 Q134 R138 | L133-V136 PolarHBondContact O-N 3.47Å; L133-V136 VanDerWaalsContact O-N 3.15Å; Q134-V136 VanDerWaalsContact C-N 3.3Å; V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 3.14Å |
| 137 | S | 26.7 | Very low | 38.4 | Very low | 80 Ų | 80 | 106.6 Ų | 106.6 | 56% | 0.559 | 60% | 0.601 | S | S | * | * | trans | -87.2 | 56.4 | -178.3 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | L133 | L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 3.49Å; L133-S137 PolarHBondContact O-OG 3.46Å | ||
| 138 | R | 25.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 113 Ų | 113 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -90.4 | 136.1 | 153.8 | -90.4 | -176.8 | 173.1 | -163 | -4 | 109.1 | V136 T140 | V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 3.14Å; R138-T140 PolarHBondContact O-N 2.9Å |
| 139 | P | 28.2 | Very low | 33 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -69.9 | 110.3 | -161.1 | -7.9 | 24.1 | 0 | 0 | 0 | 109.8 | L141 | P139-L141 PolarHBondContact O-N 3.43Š| ||
| 140 | T | 30.3 | Very low | 31.2 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | trans | -67.9 | 113.3 | 168.3 | 42.6 | 0 | 0 | 0 | 0 | 108.3 | R138 S142 | R138-T140 PolarHBondContact O-N 2.9Å; T140-S142 PolarHBondContact O-N 2.83Å | ||
| 141 | L | 29.1 | Very low | 30.5 | Very low | 168 Ų | 168 | 124 Ų | 124 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | trans | -46.5 | 130.2 | 168.5 | -88.4 | 140.6 | 0 | 0 | 0 | 110.6 | P139 G143 | P139-L141 PolarHBondContact O-N 3.43Å; L141-G143 PolarHBondContact O-N 3.44Å | ||
| 142 | S | 29.4 | Very low | 30 | Very low | 134 Ų | 134 | 127 Ų | 127 | 94% | 0.937 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -19.3 | 87.6 | 172.3 | -72.9 | 0 | 0 | 0 | 0 | 115.4 | T140 | T140-S142 PolarHBondContact O-N 2.83Š|
| 143 | G | 27.8 | Very low | 29.8 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | trans | -132.7 | 96.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | L141 L145 | L141-G143 PolarHBondContact O-N 3.44Å; G143-L145 VanDerWaalsContact C-N 3.27Å; G143-L145 PolarHBondContact O-N 3.38Å | ||
| 144 | S | 25.2 | Very low | 30.2 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -59.9 | 78.9 | -175.3 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 145 | L | 27.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -99.8 | 92.9 | 158.5 | -73.5 | 170.9 | 0 | 0 | 0 | 106.7 | G143 L147 | G143-L145 VanDerWaalsContact C-N 3.27Å; G143-L145 PolarHBondContact O-N 3.38Å; L145-L147 PolarHBondContact O-N 3.04Å | ||
| 146 | K | 26.8 | Very low | 32.1 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -65.2 | 74.6 | 166.2 | -72.8 | -178.4 | 176.6 | 179.4 | 0 | 108.4 | N148 | K146-N148 PolarHBondContact O-N 3.48Š| ||
| 147 | L | 27.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | trans | -75.3 | 84.8 | 164.8 | -143.4 | 90.7 | 0 | 0 | 0 | 106.1 | L145 H149 | L145-L147 PolarHBondContact O-N 3.04Å; L147-H149 HydrophobicContact CD2-CB 4.4Å; L147-H149 PolarHBondContact O-N 2.8Å | ||
| 148 | N | 25.1 | Very low | 36.9 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -68.2 | 33.4 | 171.3 | -77.3 | -9.1 | 0 | 0 | 0 | 111.9 | K146 T150 | K146-N148 PolarHBondContact O-N 3.48Å; N148-T150 VanDerWaalsContact C-N 3.35Å; N148-T150 PolarHBondContact O-N 2.98Å; N148-T150 VanDerWaalsContact O-N 3.08Å | ||
| 149 | H | 31.3 | Very low | 40 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | trans | -68 | 109.6 | 154.1 | -93.4 | -75.5 | 0 | 0 | 0 | 104.9 | L147 I151 | L147-H149 HydrophobicContact CD2-CB 4.4Å; L147-H149 PolarHBondContact O-N 2.8Å; H149-I151 PolarHBondContact O-N 3.45Å | ||
| 150 | T | 29.6 | Very low | 43 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | trans | -35.1 | 88.9 | 148.9 | 25.7 | 0 | 0 | 0 | 0 | 108.1 | N148 N152 | N148-T150 VanDerWaalsContact C-N 3.35Å; N148-T150 PolarHBondContact O-N 2.98Å; N148-T150 VanDerWaalsContact O-N 3.08Å; T150-N152 PolarHBondContact O-N 2.96Å | ||
| 151 | I | 34.8 | Very low | 46 | Very low | 151 Ų | 151 | 112.2 Ų | 112.2 | 77% | 0.774 | 61% | 0.613 | S | S | * | * | trans | -66.5 | 75.9 | 154.7 | -57.2 | 170.5 | 0 | 0 | 0 | 101.4 | H149 A153 | H149-I151 PolarHBondContact O-N 3.45Å; I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 PolarHBondContact O-N 3.27Å | ||
| 152 | N | 36.2 | Very low | 49 | Very low | 128 Ų | 128 | 104.3 Ų | 104.3 | 68% | 0.684 | 57% | 0.572 | S | S | * | * | trans | -39.8 | 111.5 | 156 | -89.9 | -21.1 | 0 | 0 | 0 | 102.4 | T150 K154 | T150-N152 PolarHBondContact O-N 2.96Å; N152-K154 WeakPolarHBondContact O-CA 3.4Å; N152-K154 PolarHBondContact O-N 2.84Å | ||
| 153 | A | 36.4 | Very low | 52.1 | Low | 86 Ų | 86 | 99.1 Ų | 99.1 | 71% | 0.711 | 53% | 0.533 | S | S | * | . | trans | -42.1 | 99 | 175.8 | 0 | 0 | 0 | 0 | 0 | 105 | I151 K155 | I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 PolarHBondContact O-N 3.27Å; A153-K155 PolarHBondContact O-N 2.78Å | ||
| 154 | K | 42.7 | Very low | 55.2 | Low | 175 Ų | 175 | 96.6 Ų | 96.6 | 76% | 0.761 | 51% | 0.505 | S | S | * | . | trans | -66.5 | 97.8 | -171.7 | -98.1 | -174.2 | 174.9 | -179.3 | 0 | 101 | N152 F156 | N152-K154 WeakPolarHBondContact O-CA 3.4Å; N152-K154 PolarHBondContact O-N 2.84Å; K154-F156 PolarHBondContact O-N 2.89Å | ||
| 155 | K | 44.7 | Very low | 58.4 | Low | 192 Ų | 192 | 96.2 Ų | 96.2 | 84% | 0.835 | 49% | 0.485 | S | S | * | . | trans | -48.4 | 113.2 | -170.3 | -81.1 | -179.6 | 174.4 | 179 | 0 | 105.4 | A153 H157 | A153-K155 PolarHBondContact O-N 2.78Å; K155-H157 PolarHBondContact O-N 3.36Å | ||
| 156 | F | 58.2 | Low | 61.3 | Low | 122 Ų | 122 | 90 Ų | 90 | 54% | 0.535 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 116.3 | 174.5 | -68.6 | -78.4 | 0 | 0 | 0 | 106.1 | K130 L133 K154 | K130-F156 HydrophobicContact CG-CD1 4.41Å; L133-F156 HydrophobicContact CD1-CE1 4.08Å; L133-F156 HydrophobicContact CD1-CZ 4Å; K154-F156 PolarHBondContact O-N 2.89Å |
| 157 | H | 74.7 | Confident | 64.5 | Low | 65 Ų | 65 | 82.8 Ų | 82.8 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -93 | 134.8 | 174.9 | 72.1 | -63.6 | 0 | 0 | 0 | 108.3 | D126 G128 S129 K155 | D126-H157 IonicContact OD1-NE2 3.07Å; D126-H157 PolarHBondContact OD1-NE2 3.21Å; D126-H157 IonicContact OD2-NE2 3.65Å; G128-H157 WeakPolarHBondContact CA-O 3.4Å; S129-H157 VanDerWaalsContact CB-ND1 3.28Å; S129-H157 WeakPolarHBondContact CB-ND1 3.38Å; S129-H157 PolarHBondContact N-CE1 2.59Å; S129-H157 PolarHBondContact N-ND1 3.45Å; S129-H157 PolarHBondContact N-O 3.42Å; S129-H157 PolarHBondContact OG-N 3Å; S129-H157 VanDerWaalsContact OG-N 3.1Å; S129-H157 PolarHBondContact OG-ND1 3.06Å; K155-H157 PolarHBondContact O-N 3.36Å |
| 158 | P | 83.7 | Confident | 67.6 | Low | 69 Ų | 69 | 80 Ų | 80 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 162.9 | 176 | 30.8 | -35.2 | 0 | 0 | 0 | 110.1 | ||
| 159 | P | 90.3 | Very high | 70.8 | Confident | 16 Ų | 16 | 75.6 Ų | 75.6 | 10% | 0.104 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 144.7 | 169.6 | -14.1 | 23.8 | 0 | 0 | 0 | 110.9 | L61 L65 F125 D126 P127 | L61-P159 HydrophobicContact CD2-CG 4.2Å; L65-P159 HydrophobicContact CD2-CB 4.03Å; L65-P159 WeakPolarHBondContact CD2-O 3.32Å; F125-P159 HydrophobicContact CE2-CB 4.19Å; F125-P159 HydrophobicContact CZ-CB 4.2Å; D126-P159 CarbonylContact O-C 3.49Å; D126-P159 WeakPolarHBondContact O-CA 3.26Å; P127-P159 WeakPolarHBondContact O-CG 3.4Å |
| 160 | C | 91.1 | Very high | 73.8 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 157.4 | -178.7 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | L66 D126 | L66-C160 HydrophobicContact CB-CB 4.05Å; L66-C160 WeakPolarHBondContact O-CA 3.28Å; L66-C160 VanDerWaalsContact O-CB 3.26Å; L66-C160 WeakPolarHBondContact O-CB 3.31Å; D126-C160 PolarHBondContact N-O 2.78Å; D126-C160 PolarHBondContact O-N 3.36Å |
| 161 | W | 93.8 | Very high | 76.8 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 150.9 | 167.2 | -73.1 | 110.8 | 0 | 0 | 0 | 110.6 | F29 I46 L66 L67 K68 P91 L108 M124 F125 | F29-W161 AromaticContact CD1-CH2 3.75Å; F29-W161 HydrophobicContact CD1-CH2 3.75Å; F29-W161 AromaticContact CD1-CZ2 3.73Å; F29-W161 HydrophobicContact CD1-CZ2 3.73Å; F29-W161 AromaticContact CE1-CH2 3.91Å; F29-W161 HydrophobicContact CE1-CH2 3.91Å; F29-W161 AromaticContact CE1-CZ2 3.98Å; F29-W161 HydrophobicContact CE1-CZ2 3.98Å; I46-W161 HydrophobicContact CG2-CH2 4.35Å; I46-W161 HydrophobicContact CG2-CZ2 3.54Å; L66-W161 PolarHBondContact O-N 3.07Å; L67-W161 WeakPolarHBondContact CA-O 3.29Å; L67-W161 HydrophobicContact CD1-CB 3.87Å; K68-W161 PolarHBondContact N-O 2.98Å; P91-W161 HydrophobicContact CG-CB 4.39Å; P91-W161 HydrophobicContact CG-CD2 3.59Å; P91-W161 HydrophobicContact CG-CE3 3.9Å; P91-W161 HydrophobicContact CG-CG 3.8Å; P91-W161 HydrophobicContact CG-CZ2 4.37Å; P91-W161 HydrophobicContact CG-CZ3 4.37Å; L108-W161 HydrophobicContact CB-CH2 4.29Å; L108-W161 HydrophobicContact CB-CZ3 3.96Å; L108-W161 HydrophobicContact CD2-CH2 4.03Å; L108-W161 HydrophobicContact CD2-CZ3 4.03Å; M124-W161 CarbonylContact O-C 3.55Å; M124-W161 WeakPolarHBondContact O-CA 3.35Å; F125-W161 HydrophobicContact CB-CD2 4.43Å; F125-W161 HydrophobicContact CB-CE3 3.82Å; F125-W161 HydrophobicContact CB-CH2 3.74Å; F125-W161 HydrophobicContact CB-CZ2 4.33Å; F125-W161 HydrophobicContact CB-CZ3 3.48Å; F125-W161 VanDerWaalsContact CB-CZ3 3.48Å; F125-W161 HydrophobicContact CD2-CD2 4.16Å; F125-W161 AromaticContact CD2-CE2 3.93Å; F125-W161 HydrophobicContact CD2-CE3 4.4Å; F125-W161 HydrophobicContact CD2-CH2 4.23Å; F125-W161 AromaticContact CD2-CZ2 3.95Å; F125-W161 HydrophobicContact CD2-CZ2 3.95Å; F125-W161 HydrophobicContact CD2-CZ3 4.46Å; F125-W161 HydrophobicContact CG-CH2 4.27Å; F125-W161 HydrophobicContact CG-CZ2 4.43Å; F125-W161 HydrophobicContact CG-CZ3 4.39Å |
| 162 | A | 92.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K68 W70 W77 Y123 M124 V164 | K68-A162 HydrophobicContact CB-CB 4.37Å; K68-A162 CarbonylContact O-C 3.48Å; K68-A162 WeakPolarHBondContact O-CA 3.18Å; W70-A162 HydrophobicContact CB-CB 4.11Å; W77-A162 HydrophobicContact CH2-CB 4.24Å; W77-A162 HydrophobicContact CZ3-CB 3.63Å; Y123-A162 CarbonylContact C-O 3.53Å; Y123-A162 VanDerWaalsContact CA-O 3.32Å; Y123-A162 WeakPolarHBondContact CA-O 3.1Å; M124-A162 HydrophobicContact CB-CB 4.28Å; M124-A162 HydrophobicContact CE-CB 3.84Å; M124-A162 PolarHBondContact N-O 3.21Å; M124-A162 PolarHBondContact O-N 3.26Å; A162-V164 PolarHBondContact O-N 3.06Å |
| 163 | E | 93.5 | Very high | 82.3 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 124.3 | 162.7 | -173.1 | -167.7 | -167.8 | 0 | 0 | 108.4 | K68 W70 I82 Q121 Y123 R165 | K68-E163 PolarHBondContact O-N 3.46Å; W70-E163 PolarHBondContact N-O 3.36Å; I82-E163 HydrophobicContact CD1-CB 3.84Å; Q121-E163 PolarHBondContact NE2-OE1 2.88Å; Y123-E163 HydrophobicContact CD1-CB 4.25Å; Y123-E163 HydrophobicContact CE1-CB 3.93Å; Y123-E163 HydrophobicContact CE1-CG 4.14Å; E163-R165 HydrophobicContact CG-CG 4.4Å; E163-R165 IonicContact OE2-CZ 3.93Å; E163-R165 VanDerWaalsContact OE2-CZ 3.29Å; E163-R165 IonicContact OE2-NE 2.69Å; E163-R165 PolarHBondContact OE2-NE 3.27Å; E163-R165 IonicContact OE2-NH2 2.8Å; E163-R165 PolarHBondContact OE2-NH2 2.9Å |
| 164 | V | 93.6 | Very high | 85 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.1 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | C72 W107 L122 M124 A162 T167 W212 | C72-V164 HydrophobicContact CB-CG1 4.34Å; W107-V164 HydrophobicContact CE3-CG2 4.4Å; W107-V164 HydrophobicContact CZ3-CG2 3.81Å; L122-V164 HydrophobicContact CB-CB 4.14Å; L122-V164 HydrophobicContact CD2-CB 4.02Å; L122-V164 HydrophobicContact CD2-CG1 3.96Å; L122-V164 HydrophobicContact CD2-CG2 4.18Å; L122-V164 HydrophobicContact CG-CB 4.1Å; L122-V164 HydrophobicContact CG-CG2 4.09Å; L122-V164 WeakPolarHBondContact O-CB 3.22Å; L122-V164 PolarHBondContact O-N 3.23Å; M124-V164 HydrophobicContact CB-CG2 3.86Å; A162-V164 PolarHBondContact O-N 3.06Å; V164-T167 HydrophobicContact CG1-CG2 4.1Å; V164-W212 HydrophobicContact CG1-CE3 4.24Å; V164-W212 HydrophobicContact CG1-CH2 4.26Å; V164-W212 HydrophobicContact CG1-CZ3 3.75Å |
| 165 | R | 91.4 | Very high | 87.5 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.3 | -178.3 | -62.7 | -176.3 | 177.2 | -171.1 | -3 | 110.8 | W70 C72 E163 | W70-R165 PolarHBondContact O-N 3.24Å; C72-R165 WeakPolarHBondContact CB-O 3.38Å; C72-R165 PolarHBondContact N-O 3.46Å; C72-R165 PolarHBondContact SG-O 2.87Å; E163-R165 HydrophobicContact CG-CG 4.4Å; E163-R165 IonicContact OE2-CZ 3.93Å; E163-R165 VanDerWaalsContact OE2-CZ 3.29Å; E163-R165 IonicContact OE2-NE 2.69Å; E163-R165 PolarHBondContact OE2-NE 3.27Å; E163-R165 IonicContact OE2-NH2 2.8Å; E163-R165 PolarHBondContact OE2-NH2 2.9Å |
| 166 | G | 89.8 | Confident | 89.9 | Confident | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | trans | 94.4 | 3.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | C72 N73 | C72-G166 PolarHBondContact SG-O 2.81Å; C72-G166 VanDerWaalsContact SG-O 3.39Å; N73-G166 WeakPolarHBondContact ND2-CA 3.2Å; N73-G166 PolarHBondContact ND2-O 3.44Å; N73-G166 PolarHBondContact OD1-O 3.24Å | ||
| 167 | T | 92.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | trans | -64.2 | 138.5 | 171.6 | 57.4 | 0 | 0 | 0 | 0 | 110 | C72 L122 V164 L207 W212 | C72-T167 PolarHBondContact SG-N 3.03Å; L122-T167 HydrophobicContact CD2-CG2 4.32Å; V164-T167 HydrophobicContact CG1-CG2 4.1Å; T167-L207 HydrophobicContact CG2-CD1 4.43Å; T167-W212 VanDerWaalsContact CA-O 3.31Å; T167-W212 WeakPolarHBondContact CA-O 3.38Å; T167-W212 HydrophobicContact CG2-CB 4.48Å; T167-W212 HydrophobicContact CG2-CE3 4.09Å | ||
| 168 | V | 93 | Very high | 92.6 | Very high | 79 Ų | 79 | 29.8 Ų | 29.8 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 172.4 | -177.9 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | W212 N213 W214 | V168-W212 PolarHBondContact N-O 3.03Å; V168-W212 VanDerWaalsContact N-O 3.13Å; V168-N213 HydrophobicContact CG2-CB 4.31Å; V168-N213 WeakPolarHBondContact O-CA 3.23Å; V168-N213 PolarHBondContact O-OD1 3.09Å; V168-W214 PolarHBondContact O-N 3.28Å |
| 169 | G | 94 | Very high | 93.3 | Very high | 51 Ų | 51 | 27 Ų | 27 | 53% | 0.526 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -154.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V171 N213 W214 | G169-V171 PolarHBondContact O-N 2.71Å; G169-V171 VanDerWaalsContact O-N 3.09Å; G169-N213 WeakPolarHBondContact CA-OD1 3.45Å; G169-W214 CarbonylContact C-O 3.57Å; G169-W214 WeakPolarHBondContact CA-O 2.8Å |
| 170 | S | 93.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 26.8 Ų | 26.8 | 46% | 0.462 | 17% | 0.173 | S | C | . | . | trans | -85.5 | 73.1 | -173.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | Y205 W214 | S170-Y205 VanDerWaalsContact O-CD1 3.3Å; S170-Y205 WeakPolarHBondContact O-CD1 3.31Å; S170-W214 PolarHBondContact N-O 2.98Å | ||
| 171 | V | 93.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 27.5 Ų | 27.5 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 134.3 | 178.1 | -168.8 | 0 | 0 | 0 | 0 | 110 | N120 G169 W214 | N120-V171 HydrophobicContact CB-CG1 3.87Å; G169-V171 PolarHBondContact O-N 2.71Å; G169-V171 VanDerWaalsContact O-N 3.09Å; V171-W214 HydrophobicContact CB-CG 4.48Å; V171-W214 HydrophobicContact CG2-CB 4.46Å; V171-W214 HydrophobicContact CG2-CG 4.19Å |
| 172 | P | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 145.6 | 172.6 | -6.5 | 12.9 | 0 | 0 | 0 | 111.1 | F109 N120 I189 Y205 W214 | F109-P172 HydrophobicContact CE1-CB 4.11Å; F109-P172 HydrophobicContact CE1-CG 4.12Å; F109-P172 HydrophobicContact CE2-CG 4.35Å; F109-P172 HydrophobicContact CZ-CB 3.76Å; F109-P172 HydrophobicContact CZ-CG 3.7Å; N120-P172 WeakPolarHBondContact CB-O 3.34Å; N120-P172 PolarHBondContact ND2-O 2.84Å; P172-I189 HydrophobicContact CG-CD1 4.12Å; P172-Y205 HydrophobicContact CB-CD1 4.06Å; P172-Y205 HydrophobicContact CB-CD2 3.8Å; P172-Y205 HydrophobicContact CB-CE1 4.15Å; P172-Y205 HydrophobicContact CB-CE2 3.92Å; P172-Y205 HydrophobicContact CB-CG 3.88Å; P172-Y205 HydrophobicContact CG-CD1 3.86Å; P172-Y205 HydrophobicContact CG-CD2 3.98Å; P172-Y205 HydrophobicContact CG-CE1 4.43Å; P172-Y205 HydrophobicContact CG-CG 3.61Å; P172-W214 HydrophobicContact CG-CE3 4.01Å; P172-W214 HydrophobicContact CG-CH2 4.11Å; P172-W214 HydrophobicContact CG-CZ3 3.75Å |
| 173 | S | 92.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 28.9 Ų | 28.9 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 167.9 | 172.1 | 55 | 0 | 0 | 0 | 0 | 112.6 | N120 R175 E194 | N120-S173 WeakPolarHBondContact ND2-CA 3.42Å; S173-R175 WeakPolarHBondContact O-CG 3.3Å; S173-R175 PolarHBondContact O-N 3.48Å; S173-R175 PolarHBondContact O-NE 2.93Å; S173-R175 PolarHBondContact OG-NH2 2.99Å; S173-E194 WeakPolarHBondContact CB-OE2 3.44Å; S173-E194 PolarHBondContact OG-OE1 2.92Å; S173-E194 PolarHBondContact OG-OE2 3.3Å |
| 174 | A | 92.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -68.1 | 125.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V117 C118 N120 | V117-A174 HydrophobicContact CB-CB 4.07Å; V117-A174 HydrophobicContact CG2-CB 3.62Å; C118-A174 WeakPolarHBondContact O-CB 3.31Å; N120-A174 WeakPolarHBondContact OD1-CA 3.39Å; N120-A174 VanDerWaalsContact OD1-CB 3.24Å; N120-A174 WeakPolarHBondContact OD1-CB 3.42Å; N120-A174 PolarHBondContact OD1-N 3.35Å |
| 175 | R | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -156.1 | 151 | -167.4 | 64 | -174.7 | 69.7 | -151 | -8.5 | 112.9 | F109 G111 S173 H178 G191 F193 E194 D201 | F109-R175 HydrophobicContact CE1-CG 4.2Å; G111-R175 PolarHBondContact N-O 2.9Å; S173-R175 WeakPolarHBondContact O-CG 3.3Å; S173-R175 PolarHBondContact O-N 3.48Å; S173-R175 PolarHBondContact O-NE 2.93Å; S173-R175 PolarHBondContact OG-NH2 2.99Å; R175-H178 HydrophobicContact CG-CB 4.28Å; R175-H178 PolarHBondContact O-ND1 2.61Å; R175-G191 WeakPolarHBondContact CD-O 3.21Å; R175-G191 PolarHBondContact NH1-O 3.43Å; R175-F193 WeakPolarHBondContact CA-O 3.38Å; R175-F193 WeakPolarHBondContact CB-O 2.92Å; R175-E194 HydrophobicContact CB-CG 4.3Å; R175-E194 IonicContact CZ-OE1 3.14Å; R175-E194 IonicContact NH2-OE1 3.96Å; R175-E194 PolarHBondContact NH2-OE1 3.44Å; R175-D201 IonicContact CZ-OD2 2.68Å; R175-D201 IonicContact NH1-OD2 2.88Å; R175-D201 PolarHBondContact NH1-OD2 2.98Å; R175-D201 IonicContact NH2-OD2 3.29Å; R175-D201 PolarHBondContact NH2-OD2 3.18Å | ||
| 176 | D | 94.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 165.9 | 170.6 | 87.2 | -85.3 | 0 | 0 | 0 | 112.2 | G96 R112 V117 H178 G192 F193 | G96-D176 WeakPolarHBondContact O-CA 3.43Å; R112-D176 HydrophobicContact CB-CB 3.96Å; R112-D176 WeakPolarHBondContact CD-OD2 3.47Å; R112-D176 HydrophobicContact CG-CB 4.08Å; R112-D176 IonicContact CZ-OD1 3.86Å; R112-D176 IonicContact NH1-OD1 3.14Å; R112-D176 PolarHBondContact NH1-OD1 3.27Å; V117-D176 HydrophobicContact CG1-CB 4.47Å; D176-H178 PolarHBondContact O-N 3.25Å; D176-G192 CarbonylContact O-C 3.43Å; D176-G192 WeakPolarHBondContact O-CA 3.41Å; D176-F193 PolarHBondContact N-O 3.15Å; D176-F193 VanDerWaalsContact N-O 3.08Å; D176-F193 PolarHBondContact O-N 3.42Å |
| 177 | G | 94 | Very high | 92.4 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 67.1 | 4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G96 F275 | G96-G177 PolarHBondContact O-N 3.24Å; G177-F275 PolarHBondContact O-N 3.24Å |
| 178 | H | 97.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | trans | -67.1 | 161.8 | 173.6 | 65.9 | -82.7 | 0 | 0 | 0 | 111.2 | T98 F109 R175 D176 I189 G191 | T98-H178 VanDerWaalsContact CG2-CD2 3.46Å; T98-H178 WeakPolarHBondContact CG2-CD2 3.39Å; T98-H178 WeakPolarHBondContact CG2-NE2 3.49Å; T98-H178 VanDerWaalsContact CG2-O 3.28Å; T98-H178 WeakPolarHBondContact CG2-O 3.31Å; T98-H178 PolarHBondContact OG1-CD2 2.68Å; T98-H178 PolarHBondContact OG1-NE2 2.89Å; F109-H178 AromaticContact CD1-CE1 3.98Å; F109-H178 AromaticContact CD1-NE2 3.62Å; F109-H178 PolarHBondContact O-CE1 2.86Å; F109-H178 PolarHBondContact O-NE2 3.47Å; R175-H178 HydrophobicContact CG-CB 4.28Å; R175-H178 PolarHBondContact O-ND1 2.61Å; D176-H178 PolarHBondContact O-N 3.25Å; H178-I189 HydrophobicContact CB-CG2 4.28Å; H178-G191 VanDerWaalsContact CB-O 3.26Å; H178-G191 WeakPolarHBondContact CB-O 3.43Å | ||
| 179 | S | 97.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.8 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I189 F190 A276 | S179-I189 WeakPolarHBondContact O-CA 3.39Å; S179-F190 PolarHBondContact N-O 2.74Å; S179-F190 VanDerWaalsContact N-O 3.11Å; S179-F190 PolarHBondContact O-N 2.75Å; S179-A276 PolarHBondContact OG-O 2.82Å |
| 180 | A | 97.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 14.9 Ų | 14.9 | 10% | 0.099 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T98 V100 M187 F188 I189 | T98-A180 HydrophobicContact CG2-CB 3.84Å; T98-A180 WeakPolarHBondContact OG1-CB 3.43Å; V100-A180 HydrophobicContact CG1-CB 3.87Å; A180-M187 HydrophobicContact CB-CE 3.62Å; A180-F188 CarbonylContact C-O 3.49Å; A180-F188 WeakPolarHBondContact CA-O 3.46Å; A180-F188 WeakPolarHBondContact CB-O 3.25Å; A180-I189 HydrophobicContact CB-CG1 4.11Å |
| 181 | T | 95.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 11.8 Ų | 11.8 | 9% | 0.092 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 160.2 | 174.2 | -160.5 | 0 | 0 | 0 | 0 | 110.2 | F188 L278 S280 I285 | T181-F188 HydrophobicContact CG2-CB 4.41Å; T181-F188 PolarHBondContact N-O 2.78Å; T181-F188 PolarHBondContact O-N 3.46Å; T181-L278 HydrophobicContact CG2-CD2 3.88Å; T181-L278 HydrophobicContact CG2-CG 3.93Å; T181-S280 PolarHBondContact OG1-N 3.18Å; T181-S280 PolarHBondContact OG1-OG 2.9Å; T181-I285 HydrophobicContact CG2-CG2 4.36Å |
| 182 | V | 91.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 9.2 Ų | 9.2 | 15% | 0.152 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.1 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | V100 W102 A186 F209 S280 | V100-V182 HydrophobicContact CB-CG2 3.64Å; V100-V182 HydrophobicContact CG1-CG2 4.32Å; V100-V182 HydrophobicContact CG2-CG2 3.48Å; V100-V182 VanDerWaalsContact CG2-CG2 3.48Å; W102-V182 HydrophobicContact CB-CG1 4.21Å; W102-V182 HydrophobicContact CB-CG2 4.21Å; W102-V182 HydrophobicContact CG-CG1 4.17Å; V182-A186 WeakPolarHBondContact CA-O 3.35Å; V182-F209 HydrophobicContact CG2-CE2 4.4Å; V182-S280 WeakPolarHBondContact O-CB 3.09Å; V182-S280 PolarHBondContact O-OG 3.34Å |
| 183 | L | 86.3 | Confident | 93.1 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.5 | 171.1 | 175.1 | 61.9 | 0 | 0 | 0 | 108.7 | D185 A186 F188 I285 W412 | L183-D185 PolarHBondContact O-N 3.32Å; L183-A186 PolarHBondContact N-O 2.89Å; L183-A186 PolarHBondContact O-N 2.84Å; L183-A186 VanDerWaalsContact O-N 3.12Å; L183-F188 HydrophobicContact CB-CD2 4.27Å; L183-F188 HydrophobicContact CB-CE2 4.03Å; L183-I285 HydrophobicContact CB-CD1 4.4Å; L183-I285 HydrophobicContact CB-CG1 4.44Å; L183-I285 HydrophobicContact CD2-CD1 3.98Å; L183-I285 HydrophobicContact CD2-CG1 3.73Å; L183-W412 HydrophobicContact CD2-CZ2 3.99Å |
| 184 | E | 78.9 | Confident | 92.9 | Very high | 32 Ų | 32 | 10.1 Ų | 10.1 | 15% | 0.15 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -120.4 | -173.7 | -59 | 159.7 | -160.7 | 0 | 0 | 111 | C382 S410 | E184-C382 VanDerWaalsContact CD-CB 3.45Å; E184-C382 HydrophobicContact CG-CB 4.4Å; E184-C382 WeakPolarHBondContact OE1-CA 3.47Å; E184-C382 WeakPolarHBondContact OE1-CB 3.23Å; E184-S410 VanDerWaalsContact OE2-CB 3.3Å; E184-S410 WeakPolarHBondContact OE2-CB 3.26Å; E184-S410 PolarHBondContact OE2-OG 2.86Å |
| 185 | D | 82.9 | Confident | 92.3 | Very high | 11 Ų | 11 | 11.1 Ų | 11.1 | 6% | 0.059 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 37.3 | 176.8 | -63.3 | -54.4 | 0 | 0 | 0 | 111 | W102 R103 L183 F209 I210 P379 R380 | W102-D185 HydrophobicContact CZ2-CB 4.11Å; W102-D185 PolarHBondContact NE1-OD1 3.04Å; R103-D185 IonicContact CZ-OD1 3.09Å; R103-D185 IonicContact NE-OD1 2.89Å; R103-D185 PolarHBondContact NE-OD1 3.49Å; R103-D185 IonicContact NH1-OD1 3.1Å; R103-D185 IonicContact NH2-OD1 3.1Å; R103-D185 PolarHBondContact NH2-OD1 3.09Å; R103-D185 IonicContact NH2-OD2 2.67Å; R103-D185 PolarHBondContact NH2-OD2 3.31Å; L183-D185 PolarHBondContact O-N 3.32Å; D185-F209 WeakPolarHBondContact O-CB 3.4Å; D185-F209 PolarHBondContact O-N 3.41Å; D185-I210 HydrophobicContact CB-CD1 4.09Å; D185-I210 HydrophobicContact CB-CG1 3.93Å; D185-P379 WeakPolarHBondContact OD2-CA 3.44Å; D185-R380 PolarHBondContact OD2-N 2.96Å |
| 186 | A | 89.6 | Confident | 91.4 | Very high | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V182 L183 F188 R206 L207 | V182-A186 WeakPolarHBondContact CA-O 3.35Å; L183-A186 PolarHBondContact N-O 2.89Å; L183-A186 PolarHBondContact O-N 2.84Å; L183-A186 VanDerWaalsContact O-N 3.12Å; A186-F188 HydrophobicContact CB-CE2 3.93Å; A186-R206 HydrophobicContact CB-CG 3.91Å; A186-L207 CarbonylContact C-O 3.6Å; A186-L207 WeakPolarHBondContact CA-O 3.25Å; A186-L207 VanDerWaalsContact CB-O 3.25Å; A186-L207 WeakPolarHBondContact CB-O 3.36Å |
| 187 | M | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.3 | 167.8 | 175.5 | -179.9 | -176.5 | 0 | 0 | 109.2 | V100 F109 A180 I189 R206 L207 F209 | V100-M187 HydrophobicContact CG1-CE 4.45Å; V100-M187 HydrophobicContact CG2-CE 4.07Å; V100-M187 HydrophobicContact CG2-CG 4.02Å; V100-M187 HydrophobicContact CG2-SD 3.81Å; F109-M187 HydrophobicContact CB-CE 4.01Å; A180-M187 HydrophobicContact CB-CE 3.62Å; M187-I189 HydrophobicContact CE-CD1 3.93Å; M187-I189 HydrophobicContact CE-CG1 3.92Å; M187-R206 CarbonylContact O-C 3.57Å; M187-R206 WeakPolarHBondContact O-CA 3.36Å; M187-L207 HydrophobicContact CB-CB 4.4Å; M187-L207 PolarHBondContact N-O 3.13Å; M187-L207 PolarHBondContact O-N 3.47Å; M187-F209 HydrophobicContact CB-CE2 3.76Å; M187-F209 HydrophobicContact CB-CZ 3.63Å |
| 188 | F | 97.3 | Very high | 90 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.8 | 173.9 | -71.2 | -99 | 0 | 0 | 0 | 110.1 | A180 T181 L183 A186 V204 Y205 R206 L278 I285 W412 | A180-F188 CarbonylContact C-O 3.49Å; A180-F188 WeakPolarHBondContact CA-O 3.46Å; A180-F188 WeakPolarHBondContact CB-O 3.25Å; T181-F188 HydrophobicContact CG2-CB 4.41Å; T181-F188 PolarHBondContact N-O 2.78Å; T181-F188 PolarHBondContact O-N 3.46Å; L183-F188 HydrophobicContact CB-CD2 4.27Å; L183-F188 HydrophobicContact CB-CE2 4.03Å; A186-F188 HydrophobicContact CB-CE2 3.93Å; F188-V204 HydrophobicContact CD1-CG1 4.21Å; F188-Y205 CarbonylContact C-O 3.54Å; F188-Y205 VanDerWaalsContact CA-O 3.25Å; F188-Y205 WeakPolarHBondContact CA-O 3.11Å; F188-R206 HydrophobicContact CD1-CB 4.08Å; F188-R206 HydrophobicContact CD1-CG 4.41Å; F188-R206 HydrophobicContact CE1-CB 3.86Å; F188-R206 HydrophobicContact CE1-CG 3.89Å; F188-R206 HydrophobicContact CE2-CG 4.31Å; F188-R206 HydrophobicContact CZ-CB 4.33Å; F188-R206 HydrophobicContact CZ-CG 3.84Å; F188-L278 HydrophobicContact CB-CD2 4.5Å; F188-I285 HydrophobicContact CB-CD1 4.23Å; F188-I285 HydrophobicContact CD1-CD1 3.78Å; F188-I285 HydrophobicContact CD2-CD1 3.71Å; F188-I285 HydrophobicContact CE1-CD1 3.98Å; F188-I285 HydrophobicContact CE2-CD1 3.93Å; F188-I285 HydrophobicContact CG-CD1 3.63Å; F188-I285 HydrophobicContact CZ-CD1 4.05Å; F188-W412 HydrophobicContact CE1-CD2 4Å; F188-W412 AromaticContact CE1-CE3 3.81Å; F188-W412 HydrophobicContact CE1-CE3 3.81Å; F188-W412 HydrophobicContact CE1-CG 4.4Å; F188-W412 HydrophobicContact CE1-CZ3 4.25Å; F188-W412 HydrophobicContact CZ-CB 4.1Å; F188-W412 AromaticContact CZ-CD2 3.7Å; F188-W412 HydrophobicContact CZ-CD2 3.7Å; F188-W412 HydrophobicContact CZ-CE3 4.01Å; F188-W412 AromaticContact CZ-CG 3.75Å; F188-W412 HydrophobicContact CZ-CG 3.75Å |
| 189 | I | 98.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.2 | 173.8 | -67.2 | 175.8 | 0 | 0 | 0 | 108.4 | F109 P172 H178 S179 A180 M187 V204 Y205 W214 | F109-I189 HydrophobicContact CB-CD1 4.26Å; F109-I189 HydrophobicContact CD1-CD1 3.29Å; F109-I189 HydrophobicContact CD2-CD1 4.4Å; F109-I189 HydrophobicContact CE1-CD1 3.64Å; F109-I189 HydrophobicContact CG-CD1 3.72Å; F109-I189 HydrophobicContact CZ-CD1 4.33Å; P172-I189 HydrophobicContact CG-CD1 4.12Å; H178-I189 HydrophobicContact CB-CG2 4.28Å; S179-I189 WeakPolarHBondContact O-CA 3.39Å; A180-I189 HydrophobicContact CB-CG1 4.11Å; M187-I189 HydrophobicContact CE-CD1 3.93Å; M187-I189 HydrophobicContact CE-CG1 3.92Å; I189-V204 WeakPolarHBondContact O-CA 3.38Å; I189-Y205 PolarHBondContact N-O 2.98Å; I189-Y205 PolarHBondContact O-N 2.89Å; I189-W214 HydrophobicContact CD1-CH2 3.63Å; I189-W214 HydrophobicContact CD1-CZ3 4.01Å; I189-W214 HydrophobicContact CG1-CH2 4.47Å |
| 190 | F | 98.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.8 | 174 | 170.7 | -95.9 | 0 | 0 | 0 | 111 | S179 N202 V204 P270 R273 L278 L287 W419 | S179-F190 PolarHBondContact N-O 2.74Å; S179-F190 VanDerWaalsContact N-O 3.11Å; S179-F190 PolarHBondContact O-N 2.75Å; F190-N202 HydrophobicContact CE2-CB 4.02Å; F190-N202 VanDerWaalsContact CE2-O 3.25Å; F190-N202 WeakPolarHBondContact CE2-O 3.09Å; F190-N202 HydrophobicContact CZ-CB 4.17Å; F190-V204 HydrophobicContact CD2-CG2 3.84Å; F190-P270 HydrophobicContact CZ-CB 4.01Å; F190-R273 HydrophobicContact CE1-CG 3.65Å; F190-R273 HydrophobicContact CZ-CG 4.14Å; F190-L278 HydrophobicContact CB-CD1 4.16Å; F190-L278 HydrophobicContact CB-CD2 4.02Å; F190-L287 HydrophobicContact CD1-CD1 3.45Å; F190-L287 VanDerWaalsContact CD1-CD1 3.45Å; F190-L287 HydrophobicContact CD1-CD2 4.01Å; F190-L287 HydrophobicContact CD1-CG 4.38Å; F190-L287 HydrophobicContact CE1-CD1 3.51Å; F190-L287 HydrophobicContact CE1-CD2 3.42Å; F190-L287 VanDerWaalsContact CE1-CD2 3.42Å; F190-L287 HydrophobicContact CE1-CG 4.12Å; F190-L287 HydrophobicContact CE2-CD2 4.03Å; F190-L287 HydrophobicContact CG-CD1 4.3Å; F190-L287 HydrophobicContact CZ-CD1 4.37Å; F190-L287 HydrophobicContact CZ-CD2 3.44Å; F190-L287 VanDerWaalsContact CZ-CD2 3.44Å; F190-W419 AromaticContact CD2-CZ2 3.92Å; F190-W419 HydrophobicContact CD2-CZ2 3.92Å; F190-W419 HydrophobicContact CE2-CZ2 4.04Å |
| 191 | G | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | -140.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R175 H178 D201 S203 | R175-G191 WeakPolarHBondContact CD-O 3.21Å; R175-G191 PolarHBondContact NH1-O 3.43Å; H178-G191 VanDerWaalsContact CB-O 3.26Å; H178-G191 WeakPolarHBondContact CB-O 3.43Å; G191-D201 WeakPolarHBondContact CA-O 3.23Å; G191-S203 PolarHBondContact N-O 2.86Å; G191-S203 VanDerWaalsContact N-O 3.15Å |
| 192 | G | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.8 | -174.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D176 Y200 D201 R273 | D176-G192 CarbonylContact O-C 3.43Å; D176-G192 WeakPolarHBondContact O-CA 3.41Å; G192-Y200 CarbonylContact O-C 3.45Å; G192-Y200 VanDerWaalsContact O-CA 3.31Å; G192-Y200 WeakPolarHBondContact O-CA 3.39Å; G192-D201 PolarHBondContact O-N 3.49Å; G192-R273 PolarHBondContact N-O 2.89Å |
| 193 | F | 92 | Very high | 89.3 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.2 | 175.7 | -179.2 | -101.8 | 0 | 0 | 0 | 109.8 | R175 D176 D195 D198 Y200 D274 | R175-F193 WeakPolarHBondContact CA-O 3.38Å; R175-F193 WeakPolarHBondContact CB-O 2.92Å; D176-F193 PolarHBondContact N-O 3.15Å; D176-F193 VanDerWaalsContact N-O 3.08Å; D176-F193 PolarHBondContact O-N 3.42Å; F193-D195 WeakPolarHBondContact CD1-OD1 3.49Å; F193-D195 WeakPolarHBondContact CE1-OD1 3.4Å; F193-D198 WeakPolarHBondContact CZ-OD1 3.31Å; F193-Y200 HydrophobicContact CB-CD1 4.18Å; F193-Y200 HydrophobicContact CB-CE1 4.47Å; F193-Y200 AromaticContact CD2-CD1 3.69Å; F193-Y200 HydrophobicContact CD2-CD1 3.69Å; F193-Y200 AromaticContact CD2-CE1 3.75Å; F193-Y200 HydrophobicContact CD2-CE1 3.75Å; F193-Y200 HydrophobicContact CE2-CE1 4.5Å; F193-Y200 HydrophobicContact CG-CD1 4.42Å; F193-Y200 HydrophobicContact CG-CE1 4.48Å; F193-D274 HydrophobicContact CB-CB 4.49Å |
| 194 | E | 87.3 | Confident | 89.8 | Confident | 23 Ų | 23 | 32.4 Ų | 32.4 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.3 | -179.2 | -61.1 | -172.7 | -145.7 | 0 | 0 | 109.5 | S173 R175 V196 F197 D198 N199 | S173-E194 WeakPolarHBondContact CB-OE2 3.44Å; S173-E194 PolarHBondContact OG-OE1 2.92Å; S173-E194 PolarHBondContact OG-OE2 3.3Å; R175-E194 HydrophobicContact CB-CG 4.3Å; R175-E194 IonicContact CZ-OE1 3.14Å; R175-E194 IonicContact NH2-OE1 3.96Å; R175-E194 PolarHBondContact NH2-OE1 3.44Å; E194-V196 VanDerWaalsContact C-N 3.28Å; E194-V196 PolarHBondContact O-N 3.48Å; E194-F197 HydrophobicContact CB-CD2 4.05Å; E194-F197 PolarHBondContact O-N 3.39Å; E194-F197 VanDerWaalsContact O-N 3.13Å; E194-F197 WeakPolarHBondContact OE2-CD2 3.49Å; E194-F197 WeakPolarHBondContact OE2-CE2 3.34Å; E194-D198 PolarHBondContact O-N 2.8Å; E194-N199 PolarHBondContact N-O 2.88Å; E194-N199 PolarHBondContact O-N 2.88Å |
| 195 | D | 79.5 | Confident | 90.7 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -55.4 | -42.5 | -177.2 | -77.8 | -4.2 | 0 | 0 | 0 | 112 | R112 V117 F193 F197 D198 | R112-D195 IonicContact CZ-OD1 2.7Å; R112-D195 IonicContact CZ-OD2 3.66Å; R112-D195 IonicContact NH1-OD1 3.64Å; R112-D195 PolarHBondContact NH1-OD1 3.06Å; R112-D195 IonicContact NH1-OD2 3.77Å; R112-D195 IonicContact NH2-OD1 3.61Å; R112-D195 PolarHBondContact NH2-OD1 2.83Å; R112-D195 IonicContact NH2-OD2 2.78Å; R112-D195 PolarHBondContact NH2-OD2 2.76Å; V117-D195 HydrophobicContact CG1-CB 4.12Å; V117-D195 WeakPolarHBondContact CG1-OD2 3.44Å; V117-D195 HydrophobicContact CG2-CB 3.98Å; V117-D195 PolarHBondContact N-OD2 3.31Å; F193-D195 WeakPolarHBondContact CD1-OD1 3.49Å; F193-D195 WeakPolarHBondContact CE1-OD1 3.4Å; D195-F197 PolarHBondContact O-N 3.06Å; D195-F197 VanDerWaalsContact O-N 3.14Å; D195-D198 PolarHBondContact O-N 2.95Å |
| 196 | V | 77 | Confident | 91.3 | Very high | 122 Ų | 122 | 32 Ų | 32 | 74% | 0.739 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -60.4 | -27.8 | -177 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | E194 | E194-V196 VanDerWaalsContact C-N 3.28Å; E194-V196 PolarHBondContact O-N 3.48Å |
| 197 | F | 76.2 | Confident | 91.6 | Very high | 131 Ų | 131 | 32 Ų | 32 | 58% | 0.575 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -111.6 | 1.6 | -177.8 | -57.4 | -65.1 | 0 | 0 | 0 | 113 | E194 D195 N199 | E194-F197 HydrophobicContact CB-CD2 4.05Å; E194-F197 PolarHBondContact O-N 3.39Å; E194-F197 VanDerWaalsContact O-N 3.13Å; E194-F197 WeakPolarHBondContact OE2-CD2 3.49Å; E194-F197 WeakPolarHBondContact OE2-CE2 3.34Å; D195-F197 PolarHBondContact O-N 3.06Å; D195-F197 VanDerWaalsContact O-N 3.14Å; F197-N199 HydrophobicContact CB-CB 4.33Å; F197-N199 WeakPolarHBondContact O-CB 3.28Å; F197-N199 PolarHBondContact O-N 3.47Å; F197-N199 VanDerWaalsContact O-N 3.07Å; F197-N199 PolarHBondContact O-ND2 3.39Å |
| 198 | D | 82.6 | Confident | 91.3 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 51% | 0.513 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 38.9 | -170.1 | -176.1 | 50.9 | 0 | 0 | 0 | 113.4 | F193 E194 D195 K293 | F193-D198 WeakPolarHBondContact CZ-OD1 3.31Å; E194-D198 PolarHBondContact O-N 2.8Å; D195-D198 PolarHBondContact O-N 2.95Å; D198-K293 PolarHBondContact O-NZ 3.02Å; D198-K293 IonicContact OD2-NZ 2.84Å; D198-K293 PolarHBondContact OD2-NZ 3.05Å |
| 199 | N | 87.5 | Confident | 90.8 | Very high | 82 Ų | 82 | 33 Ų | 33 | 44% | 0.439 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.2 | -170.1 | -81.5 | -41.5 | 0 | 0 | 0 | 112.8 | E194 F197 | E194-N199 PolarHBondContact N-O 2.88Å; E194-N199 PolarHBondContact O-N 2.88Å; F197-N199 HydrophobicContact CB-CB 4.33Å; F197-N199 WeakPolarHBondContact O-CB 3.28Å; F197-N199 PolarHBondContact O-N 3.47Å; F197-N199 VanDerWaalsContact O-N 3.07Å; F197-N199 PolarHBondContact O-ND2 3.39Å |
| 200 | Y | 91.9 | Very high | 90 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 149.4 | 166.6 | -54.4 | -56.4 | 0 | 0 | 0 | 109.6 | G192 F193 P272 D274 R291 K293 | G192-Y200 CarbonylContact O-C 3.45Å; G192-Y200 VanDerWaalsContact O-CA 3.31Å; G192-Y200 WeakPolarHBondContact O-CA 3.39Å; F193-Y200 HydrophobicContact CB-CD1 4.18Å; F193-Y200 HydrophobicContact CB-CE1 4.47Å; F193-Y200 AromaticContact CD2-CD1 3.69Å; F193-Y200 HydrophobicContact CD2-CD1 3.69Å; F193-Y200 AromaticContact CD2-CE1 3.75Å; F193-Y200 HydrophobicContact CD2-CE1 3.75Å; F193-Y200 HydrophobicContact CE2-CE1 4.5Å; F193-Y200 HydrophobicContact CG-CD1 4.42Å; F193-Y200 HydrophobicContact CG-CE1 4.48Å; Y200-P272 VanDerWaalsContact C-CB 3.48Å; Y200-P272 VanDerWaalsContact CB-C 3.44Å; Y200-P272 WeakPolarHBondContact O-CB 3.36Å; Y200-D274 HydrophobicContact CD1-CB 4.12Å; Y200-D274 HydrophobicContact CE1-CB 4.21Å; Y200-R291 PolarHBondContact OH-NE 3.1Å; Y200-R291 VanDerWaalsContact OH-NE 3.15Å; Y200-R291 PolarHBondContact OH-NH1 3.23Å; Y200-R291 PolarHBondContact OH-NH2 2.85Å; Y200-K293 HydrophobicContact CD2-CB 4.14Å; Y200-K293 HydrophobicContact CD2-CD 4.38Å; Y200-K293 HydrophobicContact CD2-CG 4.05Å; Y200-K293 HydrophobicContact CE2-CB 4.01Å; Y200-K293 HydrophobicContact CE2-CD 4.24Å; Y200-K293 HydrophobicContact CE2-CG 3.62Å |
| 201 | D | 93.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 155.3 | 174.2 | -174.4 | 20.7 | 0 | 0 | 0 | 110.5 | R175 G191 G192 S203 P272 R273 | R175-D201 IonicContact CZ-OD2 2.68Å; R175-D201 IonicContact NH1-OD2 2.88Å; R175-D201 PolarHBondContact NH1-OD2 2.98Å; R175-D201 IonicContact NH2-OD2 3.29Å; R175-D201 PolarHBondContact NH2-OD2 3.18Å; G191-D201 WeakPolarHBondContact CA-O 3.23Å; G192-D201 PolarHBondContact O-N 3.49Å; D201-S203 VanDerWaalsContact OD1-CB 3.26Å; D201-S203 WeakPolarHBondContact OD1-CB 3.43Å; D201-S203 PolarHBondContact OD1-N 3.31Å; D201-S203 PolarHBondContact OD1-OG 3Å; D201-S203 VanDerWaalsContact OD2-CB 3.27Å; D201-S203 WeakPolarHBondContact OD2-CB 3.17Å; D201-S203 PolarHBondContact OD2-OG 3Å; D201-P272 WeakPolarHBondContact O-CA 3.37Å; D201-R273 PolarHBondContact O-N 3.39Å |
| 202 | N | 94.7 | Very high | 89.2 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 8.8 | 168.1 | 61.2 | -7.1 | 0 | 0 | 0 | 112.9 | F190 P270 P272 | F190-N202 HydrophobicContact CE2-CB 4.02Å; F190-N202 VanDerWaalsContact CE2-O 3.25Å; F190-N202 WeakPolarHBondContact CE2-O 3.09Å; F190-N202 HydrophobicContact CZ-CB 4.17Å; N202-P270 WeakPolarHBondContact CB-O 3.33Å; N202-P270 PolarHBondContact ND2-O 3.28Å; N202-P270 VanDerWaalsContact ND2-O 3.12Å; N202-P272 HydrophobicContact CB-CB 4.32Å; N202-P272 HydrophobicContact CB-CG 4.15Å |
| 203 | S | 96.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 146.9 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | G191 D201 R216 | G191-S203 PolarHBondContact N-O 2.86Å; G191-S203 VanDerWaalsContact N-O 3.15Å; D201-S203 VanDerWaalsContact OD1-CB 3.26Å; D201-S203 WeakPolarHBondContact OD1-CB 3.43Å; D201-S203 PolarHBondContact OD1-N 3.31Å; D201-S203 PolarHBondContact OD1-OG 3Å; D201-S203 VanDerWaalsContact OD2-CB 3.27Å; D201-S203 WeakPolarHBondContact OD2-CB 3.17Å; D201-S203 PolarHBondContact OD2-OG 3Å; S203-R216 PolarHBondContact OG-NE 3.09Å; S203-R216 PolarHBondContact OG-NH2 3.48Å |
| 204 | V | 97.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.5 | 174.4 | 179 | 0 | 0 | 0 | 0 | 108.7 | F188 I189 F190 I217 I219 L310 W419 | F188-V204 HydrophobicContact CD1-CG1 4.21Å; I189-V204 WeakPolarHBondContact O-CA 3.38Å; F190-V204 HydrophobicContact CD2-CG2 3.84Å; V204-I217 HydrophobicContact CB-CB 4.1Å; V204-I217 HydrophobicContact CG1-CB 4.05Å; V204-I217 HydrophobicContact CG1-CG1 3.98Å; V204-I217 PolarHBondContact O-N 3.5Å; V204-I219 HydrophobicContact CG2-CD1 4.32Å; V204-L310 HydrophobicContact CG1-CD2 3.89Å; V204-L310 HydrophobicContact CG2-CD2 4.26Å; V204-W419 HydrophobicContact CG2-CZ2 3.96Å |
| 205 | Y | 97.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.4 | 175.4 | -63.3 | -95.4 | 0 | 0 | 0 | 110.3 | S170 P172 F188 I189 R216 | S170-Y205 VanDerWaalsContact O-CD1 3.3Å; S170-Y205 WeakPolarHBondContact O-CD1 3.31Å; P172-Y205 HydrophobicContact CB-CD1 4.06Å; P172-Y205 HydrophobicContact CB-CD2 3.8Å; P172-Y205 HydrophobicContact CB-CE1 4.15Å; P172-Y205 HydrophobicContact CB-CE2 3.92Å; P172-Y205 HydrophobicContact CB-CG 3.88Å; P172-Y205 HydrophobicContact CG-CD1 3.86Å; P172-Y205 HydrophobicContact CG-CD2 3.98Å; P172-Y205 HydrophobicContact CG-CE1 4.43Å; P172-Y205 HydrophobicContact CG-CG 3.61Å; F188-Y205 CarbonylContact C-O 3.54Å; F188-Y205 VanDerWaalsContact CA-O 3.25Å; F188-Y205 WeakPolarHBondContact CA-O 3.11Å; I189-Y205 PolarHBondContact N-O 2.98Å; I189-Y205 PolarHBondContact O-N 2.89Å; Y205-R216 HydrophobicContact CD1-CB 4.05Å; Y205-R216 HydrophobicContact CD1-CG 4.26Å; Y205-R216 HydrophobicContact CE1-CB 3.97Å; Y205-R216 HydrophobicContact CE1-CG 3.95Å |
| 206 | R | 95.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.6 | 178.4 | 174.7 | -174 | 175.8 | -87.2 | -6 | 109.1 | A186 M187 F188 D208 W214 T215 I217 | A186-R206 HydrophobicContact CB-CG 3.91Å; M187-R206 CarbonylContact O-C 3.57Å; M187-R206 WeakPolarHBondContact O-CA 3.36Å; F188-R206 HydrophobicContact CD1-CB 4.08Å; F188-R206 HydrophobicContact CD1-CG 4.41Å; F188-R206 HydrophobicContact CE1-CB 3.86Å; F188-R206 HydrophobicContact CE1-CG 3.89Å; F188-R206 HydrophobicContact CE2-CG 4.31Å; F188-R206 HydrophobicContact CZ-CB 4.33Å; F188-R206 HydrophobicContact CZ-CG 3.84Å; R206-D208 IonicContact CZ-OD2 2.89Å; R206-D208 IonicContact NH1-OD2 3.96Å; R206-D208 PolarHBondContact NH1-OD2 2.93Å; R206-D208 IonicContact NH2-OD2 3.52Å; R206-D208 PolarHBondContact NH2-OD2 2.92Å; R206-W214 CarbonylContact O-C 3.5Å; R206-W214 WeakPolarHBondContact O-CA 3.17Å; R206-T215 PolarHBondContact N-O 3.2Å; R206-T215 PolarHBondContact O-N 3.3Å; R206-T215 PolarHBondContact O-OG1 3.26Å; R206-I217 HydrophobicContact CB-CD1 3.98Å; R206-I217 HydrophobicContact CB-CG1 4.12Å |
| 207 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.7 | 165.1 | 174.4 | 60.2 | 0 | 0 | 0 | 108.9 | L122 T167 A186 M187 F209 W214 | L122-L207 HydrophobicContact CD2-CD2 3.46Å; L122-L207 VanDerWaalsContact CD2-CD2 3.46Å; T167-L207 HydrophobicContact CG2-CD1 4.43Å; A186-L207 CarbonylContact C-O 3.6Å; A186-L207 WeakPolarHBondContact CA-O 3.25Å; A186-L207 VanDerWaalsContact CB-O 3.25Å; A186-L207 WeakPolarHBondContact CB-O 3.36Å; M187-L207 HydrophobicContact CB-CB 4.4Å; M187-L207 PolarHBondContact N-O 3.13Å; M187-L207 PolarHBondContact O-N 3.47Å; L207-F209 HydrophobicContact CD2-CD1 4.24Å; L207-F209 HydrophobicContact CD2-CE1 3.95Å; L207-F209 HydrophobicContact CG-CD1 4.49Å; L207-W214 HydrophobicContact CB-CD2 3.73Å; L207-W214 HydrophobicContact CB-CE3 3.68Å; L207-W214 HydrophobicContact CB-CH2 3.66Å; L207-W214 HydrophobicContact CB-CZ2 3.73Å; L207-W214 HydrophobicContact CB-CZ3 3.64Å; L207-W214 HydrophobicContact CD1-CD2 4.09Å; L207-W214 HydrophobicContact CD1-CG 4.09Å; L207-W214 HydrophobicContact CD2-CH2 4.31Å; L207-W214 HydrophobicContact CD2-CZ2 3.72Å; L207-W214 HydrophobicContact CG-CD2 4.38Å; L207-W214 HydrophobicContact CG-CZ2 4.19Å |
| 208 | D | 89.2 | Confident | 92 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.6 | 171.3 | -171.6 | -60.5 | 0 | 0 | 0 | 110 | R206 I210 T211 W212 N213 | R206-D208 IonicContact CZ-OD2 2.89Å; R206-D208 IonicContact NH1-OD2 3.96Å; R206-D208 PolarHBondContact NH1-OD2 2.93Å; R206-D208 IonicContact NH2-OD2 3.52Å; R206-D208 PolarHBondContact NH2-OD2 2.92Å; D208-I210 PolarHBondContact O-N 3.1Å; D208-I210 WeakPolarHBondContact OD1-CA 3.23Å; D208-I210 VanDerWaalsContact OD1-CB 3.31Å; D208-I210 WeakPolarHBondContact OD1-CB 3.34Å; D208-I210 PolarHBondContact OD1-N 3.08Å; D208-T211 VanDerWaalsContact CB-OG1 3.23Å; D208-T211 WeakPolarHBondContact CB-OG1 3.3Å; D208-T211 PolarHBondContact OD1-N 3.03Å; D208-T211 PolarHBondContact OD1-OG1 3.21Å; D208-W212 WeakPolarHBondContact O-CA 3.29Å; D208-W212 PolarHBondContact O-N 3.24Å; D208-N213 PolarHBondContact N-O 3.44Å; D208-N213 VanDerWaalsContact N-O 3.11Å |
| 209 | F | 87 | Confident | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.8 | -178 | -69.1 | -64.9 | 0 | 0 | 0 | 114.3 | W102 W107 V182 D185 M187 L207 W212 | W102-F209 HydrophobicContact CB-CE2 4.04Å; W102-F209 HydrophobicContact CB-CZ 4.46Å; W102-F209 HydrophobicContact CD2-CB 4.31Å; W102-F209 AromaticContact CD2-CD2 3.48Å; W102-F209 HydrophobicContact CD2-CD2 3.48Å; W102-F209 VanDerWaalsContact CD2-CD2 3.48Å; W102-F209 AromaticContact CD2-CE2 3.79Å; W102-F209 HydrophobicContact CD2-CE2 3.79Å; W102-F209 AromaticContact CD2-CG 3.92Å; W102-F209 HydrophobicContact CD2-CG 3.92Å; W102-F209 HydrophobicContact CD2-CZ 4.46Å; W102-F209 AromaticContact CE2-CD2 3.61Å; W102-F209 HydrophobicContact CE3-CB 4.06Å; W102-F209 AromaticContact CE3-CD1 3.98Å; W102-F209 HydrophobicContact CE3-CD1 3.98Å; W102-F209 AromaticContact CE3-CD2 3.72Å; W102-F209 HydrophobicContact CE3-CD2 3.72Å; W102-F209 HydrophobicContact CE3-CE1 4.3Å; W102-F209 HydrophobicContact CE3-CE2 4.05Å; W102-F209 AromaticContact CE3-CG 3.69Å; W102-F209 HydrophobicContact CE3-CG 3.69Å; W102-F209 HydrophobicContact CE3-CZ 4.32Å; W102-F209 AromaticContact CG-CD2 3.91Å; W102-F209 HydrophobicContact CG-CD2 3.91Å; W102-F209 AromaticContact CG-CE2 3.8Å; W102-F209 HydrophobicContact CG-CE2 3.8Å; W102-F209 HydrophobicContact CH2-CB 3.17Å; W102-F209 HydrophobicContact CH2-CD1 4.49Å; W102-F209 HydrophobicContact CH2-CD2 4.23Å; W102-F209 AromaticContact CH2-CG 3.79Å; W102-F209 HydrophobicContact CH2-CG 3.79Å; W102-F209 HydrophobicContact CZ2-CB 3.44Å; W102-F209 VanDerWaalsContact CZ2-CB 3.44Å; W102-F209 AromaticContact CZ2-CD2 3.99Å; W102-F209 HydrophobicContact CZ2-CD2 3.99Å; W102-F209 AromaticContact CZ2-CG 3.98Å; W102-F209 HydrophobicContact CZ2-CG 3.98Å; W102-F209 HydrophobicContact CZ3-CB 3.49Å; W102-F209 VanDerWaalsContact CZ3-CB 3.49Å; W102-F209 AromaticContact CZ3-CD1 3.93Å; W102-F209 HydrophobicContact CZ3-CD1 3.93Å; W102-F209 HydrophobicContact CZ3-CD2 4.08Å; W102-F209 AromaticContact CZ3-CG 3.61Å; W102-F209 HydrophobicContact CZ3-CG 3.61Å; W107-F209 HydrophobicContact CB-CZ 4.47Å; W107-F209 AromaticContact CD2-CE1 3.64Å; W107-F209 HydrophobicContact CD2-CE1 3.64Å; W107-F209 HydrophobicContact CD2-CZ 4.03Å; W107-F209 AromaticContact CE2-CE1 3.99Å; W107-F209 AromaticContact CE3-CE1 3.75Å; W107-F209 HydrophobicContact CE3-CE1 3.75Å; W107-F209 HydrophobicContact CG-CE1 4.07Å; W107-F209 AromaticContact CG-CZ 3.96Å; W107-F209 HydrophobicContact CG-CZ 3.96Å; W107-F209 HydrophobicContact CZ2-CE1 4.43Å; W107-F209 HydrophobicContact CZ3-CE1 4.21Å; V182-F209 HydrophobicContact CG2-CE2 4.4Å; D185-F209 WeakPolarHBondContact O-CB 3.4Å; D185-F209 PolarHBondContact O-N 3.41Å; M187-F209 HydrophobicContact CB-CE2 3.76Å; M187-F209 HydrophobicContact CB-CZ 3.63Å; L207-F209 HydrophobicContact CD2-CD1 4.24Å; L207-F209 HydrophobicContact CD2-CE1 3.95Å; L207-F209 HydrophobicContact CG-CD1 4.49Å; F209-W212 HydrophobicContact CD1-CE3 4.5Å; F209-W212 HydrophobicContact CD1-CH2 4.35Å; F209-W212 AromaticContact CD1-CZ3 4Å; F209-W212 HydrophobicContact CD1-CZ3 4Å; F209-W212 PolarHBondContact O-NE1 3.33Å |
| 210 | I | 81.8 | Confident | 92.3 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 28% | 0.277 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -45.2 | 176.1 | -53.6 | -57.4 | 0 | 0 | 0 | 110.2 | D185 D208 | D185-I210 HydrophobicContact CB-CD1 4.09Å; D185-I210 HydrophobicContact CB-CG1 3.93Å; D208-I210 PolarHBondContact O-N 3.1Å; D208-I210 WeakPolarHBondContact OD1-CA 3.23Å; D208-I210 VanDerWaalsContact OD1-CB 3.31Å; D208-I210 WeakPolarHBondContact OD1-CB 3.34Å; D208-I210 PolarHBondContact OD1-N 3.08Å |
| 211 | T | 85.5 | Confident | 91.3 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 50% | 0.503 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -13.1 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | D208 N213 | D208-T211 VanDerWaalsContact CB-OG1 3.23Å; D208-T211 WeakPolarHBondContact CB-OG1 3.3Å; D208-T211 PolarHBondContact OD1-N 3.03Å; D208-T211 PolarHBondContact OD1-OG1 3.21Å; T211-N213 PolarHBondContact O-N 3.36Å |
| 212 | W | 91 | Very high | 90.2 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | trans | 57.2 | 25.3 | -176.3 | -59.8 | 100.6 | 0 | 0 | 0 | 114.7 | W70 C72 W107 L122 V164 T167 V168 D208 F209 W374 | W70-W212 AromaticContact NE1-CZ2 3.77Å; C72-W212 HydrophobicContact CB-CB 4.09Å; C72-W212 HydrophobicContact CB-CD2 3.36Å; C72-W212 VanDerWaalsContact CB-CE2 3.42Å; C72-W212 HydrophobicContact CB-CE3 3.87Å; C72-W212 HydrophobicContact CB-CG 3.44Å; C72-W212 VanDerWaalsContact CB-CG 3.44Å; C72-W212 HydrophobicContact CB-CH2 4.28Å; C72-W212 HydrophobicContact CB-CZ2 3.85Å; C72-W212 HydrophobicContact CB-CZ3 4.32Å; C72-W212 PolarHBondContact O-NE1 3.28Å; C72-W212 WeakPolarHBondContact SG-CB 3.19Å; C72-W212 VanDerWaalsContact SG-CG 3.53Å; W107-W212 AromaticContact CH2-CH2 3.49Å; W107-W212 HydrophobicContact CH2-CH2 3.49Å; W107-W212 VanDerWaalsContact CH2-CH2 3.49Å; W107-W212 HydrophobicContact CH2-CZ3 4.1Å; W107-W212 AromaticContact CZ3-CH2 3.59Å; W107-W212 HydrophobicContact CZ3-CH2 3.59Å; W107-W212 AromaticContact CZ3-CZ3 3.73Å; W107-W212 HydrophobicContact CZ3-CZ3 3.73Å; L122-W212 HydrophobicContact CD2-CZ3 4.37Å; V164-W212 HydrophobicContact CG1-CE3 4.24Å; V164-W212 HydrophobicContact CG1-CH2 4.26Å; V164-W212 HydrophobicContact CG1-CZ3 3.75Å; T167-W212 VanDerWaalsContact CA-O 3.31Å; T167-W212 WeakPolarHBondContact CA-O 3.38Å; T167-W212 HydrophobicContact CG2-CB 4.48Å; T167-W212 HydrophobicContact CG2-CE3 4.09Å; V168-W212 PolarHBondContact N-O 3.03Å; V168-W212 VanDerWaalsContact N-O 3.13Å; D208-W212 WeakPolarHBondContact O-CA 3.29Å; D208-W212 PolarHBondContact O-N 3.24Å; F209-W212 HydrophobicContact CD1-CE3 4.5Å; F209-W212 HydrophobicContact CD1-CH2 4.35Å; F209-W212 AromaticContact CD1-CZ3 4Å; F209-W212 HydrophobicContact CD1-CZ3 4Å; F209-W212 PolarHBondContact O-NE1 3.33Å; W212-W374 AromaticContact CH2-CH2 3.5Å; W212-W374 HydrophobicContact CH2-CH2 3.5Å; W212-W374 VanDerWaalsContact CH2-CH2 3.5Å; W212-W374 AromaticContact CH2-CZ3 3.53Å; W212-W374 HydrophobicContact CH2-CZ3 3.53Å; W212-W374 AromaticContact CZ2-CH2 3.28Å; W212-W374 HydrophobicContact CZ2-CH2 3.28Å; W212-W374 AromaticContact CZ2-CZ3 3.22Å; W212-W374 HydrophobicContact CZ2-CZ3 3.22Å | ||
| 213 | N | 91.6 | Very high | 88.6 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.7 | 179.2 | -169.4 | 37.7 | 0 | 0 | 0 | 110.3 | V168 G169 D208 T211 | V168-N213 HydrophobicContact CG2-CB 4.31Å; V168-N213 WeakPolarHBondContact O-CA 3.23Å; V168-N213 PolarHBondContact O-OD1 3.09Å; G169-N213 WeakPolarHBondContact CA-OD1 3.45Å; D208-N213 PolarHBondContact N-O 3.44Å; D208-N213 VanDerWaalsContact N-O 3.11Å; T211-N213 PolarHBondContact O-N 3.36Å |
| 214 | W | 96 | Very high | 86.8 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129 | 166.1 | -76.3 | 100.3 | 0 | 0 | 0 | 110.1 | F109 V168 G169 S170 V171 P172 I189 R206 L207 | F109-W214 HydrophobicContact CD2-CZ2 4.34Å; F109-W214 HydrophobicContact CE2-CZ2 4.41Å; V168-W214 PolarHBondContact O-N 3.28Å; G169-W214 CarbonylContact C-O 3.57Å; G169-W214 WeakPolarHBondContact CA-O 2.8Å; S170-W214 PolarHBondContact N-O 2.98Å; V171-W214 HydrophobicContact CB-CG 4.48Å; V171-W214 HydrophobicContact CG2-CB 4.46Å; V171-W214 HydrophobicContact CG2-CG 4.19Å; P172-W214 HydrophobicContact CG-CE3 4.01Å; P172-W214 HydrophobicContact CG-CH2 4.11Å; P172-W214 HydrophobicContact CG-CZ3 3.75Å; I189-W214 HydrophobicContact CD1-CH2 3.63Å; I189-W214 HydrophobicContact CD1-CZ3 4.01Å; I189-W214 HydrophobicContact CG1-CH2 4.47Å; R206-W214 CarbonylContact O-C 3.5Å; R206-W214 WeakPolarHBondContact O-CA 3.17Å; L207-W214 HydrophobicContact CB-CD2 3.73Å; L207-W214 HydrophobicContact CB-CE3 3.68Å; L207-W214 HydrophobicContact CB-CH2 3.66Å; L207-W214 HydrophobicContact CB-CZ2 3.73Å; L207-W214 HydrophobicContact CB-CZ3 3.64Å; L207-W214 HydrophobicContact CD1-CD2 4.09Å; L207-W214 HydrophobicContact CD1-CG 4.09Å; L207-W214 HydrophobicContact CD2-CH2 4.31Å; L207-W214 HydrophobicContact CD2-CZ2 3.72Å; L207-W214 HydrophobicContact CG-CD2 4.38Å; L207-W214 HydrophobicContact CG-CZ2 4.19Å |
| 215 | T | 94.9 | Very high | 84.6 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.9 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 109 | R206 I217 | R206-T215 PolarHBondContact N-O 3.2Å; R206-T215 PolarHBondContact O-N 3.3Å; R206-T215 PolarHBondContact O-OG1 3.26Å; T215-I217 PolarHBondContact O-N 3.44Å |
| 216 | R | 96.4 | Very high | 81.9 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 54% | 0.543 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.8 | 165.3 | -172.4 | -178.9 | -175.2 | -158 | 2.7 | 107.7 | S203 Y205 E218 | S203-R216 PolarHBondContact OG-NE 3.09Å; S203-R216 PolarHBondContact OG-NH2 3.48Å; Y205-R216 HydrophobicContact CD1-CB 4.05Å; Y205-R216 HydrophobicContact CD1-CG 4.26Å; Y205-R216 HydrophobicContact CE1-CB 3.97Å; Y205-R216 HydrophobicContact CE1-CG 3.95Å; R216-E218 PolarHBondContact O-N 3.24Å |
| 217 | I | 94.8 | Very high | 79.3 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 121.6 | 177.5 | -56.7 | -60.6 | 0 | 0 | 0 | 108.1 | V204 R206 T215 I219 G415 A417 | V204-I217 HydrophobicContact CB-CB 4.1Å; V204-I217 HydrophobicContact CG1-CB 4.05Å; V204-I217 HydrophobicContact CG1-CG1 3.98Å; V204-I217 PolarHBondContact O-N 3.5Å; R206-I217 HydrophobicContact CB-CD1 3.98Å; R206-I217 HydrophobicContact CB-CG1 4.12Å; T215-I217 PolarHBondContact O-N 3.44Å; I217-I219 HydrophobicContact CG2-CD1 4.25Å; I217-G415 CarbonylContact C-O 3.51Å; I217-G415 WeakPolarHBondContact CA-O 3.47Å; I217-A417 HydrophobicContact CG2-CB 3.53Å |
| 218 | E | 92.4 | Very high | 76.7 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.5 | 176.4 | -176.9 | -172.4 | 125 | 0 | 0 | 109.4 | R216 R220 G415 Y416 A417 | R216-E218 PolarHBondContact O-N 3.24Å; E218-R220 IonicContact OE1-CZ 2.8Å; E218-R220 IonicContact OE1-NE 3.46Å; E218-R220 PolarHBondContact OE1-NE 3.11Å; E218-R220 IonicContact OE1-NH2 3.35Å; E218-R220 PolarHBondContact OE1-NH2 3.14Å; E218-R220 VanDerWaalsContact OE1-NH2 3.08Å; E218-G415 PolarHBondContact N-O 2.76Å; E218-Y416 HydrophobicContact CB-CD1 3.83Å; E218-Y416 HydrophobicContact CB-CE1 4.01Å; E218-Y416 HydrophobicContact CG-CD1 4.26Å; E218-Y416 HydrophobicContact CG-CE1 4.31Å; E218-Y416 WeakPolarHBondContact O-CA 3.47Å; E218-Y416 WeakPolarHBondContact OE2-CE1 3.23Å; E218-A417 PolarHBondContact O-N 2.69Å |
| 219 | I | 91.8 | Very high | 74.5 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.8 | -179.6 | -53.7 | -57.9 | 0 | 0 | 0 | 109.3 | V204 I217 D221 T269 L310 A417 | V204-I219 HydrophobicContact CG2-CD1 4.32Å; I217-I219 HydrophobicContact CG2-CD1 4.25Å; I219-D221 WeakPolarHBondContact CG2-OD1 3.37Å; I219-T269 HydrophobicContact CG2-CG2 3.63Å; I219-L310 HydrophobicContact CD1-CD1 3.77Å; I219-A417 CarbonylContact C-O 3.58Å; I219-A417 WeakPolarHBondContact CA-O 3.33Å; I219-A417 HydrophobicContact CD1-CB 4.18Å |
| 220 | R | 84.6 | Confident | 72 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 28% | 0.275 | 36% | 0.36 | S | S | . | . | trans | -111.6 | 87.1 | -174.7 | -68.8 | -163.6 | 173.1 | -175.6 | -0.9 | 112.6 | E218 D222 L223 L313 Y416 A417 | E218-R220 IonicContact OE1-CZ 2.8Å; E218-R220 IonicContact OE1-NE 3.46Å; E218-R220 PolarHBondContact OE1-NE 3.11Å; E218-R220 IonicContact OE1-NH2 3.35Å; E218-R220 PolarHBondContact OE1-NH2 3.14Å; E218-R220 VanDerWaalsContact OE1-NH2 3.08Å; R220-D222 VanDerWaalsContact C-N 3.3Å; R220-D222 WeakPolarHBondContact CB-OD1 3.46Å; R220-L223 HydrophobicContact CB-CD1 3.81Å; R220-L223 HydrophobicContact CB-CG 4.19Å; R220-L223 HydrophobicContact CG-CD1 4.45Å; R220-L313 HydrophobicContact CB-CD1 3.86Å; R220-L313 HydrophobicContact CG-CD1 4.47Å; R220-Y416 HydrophobicContact CG-CD1 4.35Å; R220-Y416 VanDerWaalsContact CZ-CE1 3.42Å; R220-Y416 VanDerWaalsContact NE-CD1 3.26Å; R220-Y416 PolarHBondContact NH2-OH 3.34Å; R220-A417 PolarHBondContact N-O 3.37Å | ||
| 221 | D | 71 | Confident | 69.9 | Low | 41 Ų | 41 | 70.2 Ų | 70.2 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -78.1 | -15.2 | 179.7 | -63.6 | -18.8 | 0 | 0 | 0 | 113.8 | I219 L223 R268 T269 | I219-D221 WeakPolarHBondContact CG2-OD1 3.37Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-R268 HydrophobicContact CB-CB 4.15Å; D221-R268 PolarHBondContact O-NH1 3.42Å; D221-T269 WeakPolarHBondContact OD1-CG2 3.22Å; D221-T269 WeakPolarHBondContact OD2-CG2 3.14Å |
| 222 | D | 69.7 | Low | 67.4 | Low | 116 Ų | 116 | 73.6 Ų | 73.6 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -71.3 | -25.4 | 179.2 | 62 | -42.4 | 0 | 0 | 0 | 112.6 | R220 L224 | R220-D222 VanDerWaalsContact C-N 3.3Å; R220-D222 WeakPolarHBondContact CB-OD1 3.46Å; D222-L224 PolarHBondContact O-N 3.19Å |
| 223 | L | 61.8 | Low | 64.8 | Low | 88 Ų | 88 | 78.3 Ų | 78.3 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -79.2 | -2.2 | -178 | -63.4 | 176.2 | 0 | 0 | 0 | 114.1 | R220 D221 S225 L313 | R220-L223 HydrophobicContact CB-CD1 3.81Å; R220-L223 HydrophobicContact CB-CG 4.19Å; R220-L223 HydrophobicContact CG-CD1 4.45Å; D221-L223 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.45Å; L223-L313 HydrophobicContact CD1-CD1 3.61Å |
| 224 | L | 58.4 | Low | 61.8 | Low | 34 Ų | 34 | 81.4 Ų | 81.4 | 18% | 0.178 | 43% | 0.43 | C | S | . | . | trans | -92.1 | 99.2 | 176.6 | -64.3 | 179.9 | 0 | 0 | 0 | 110.8 | D222 L229 L333 V418 | D222-L224 PolarHBondContact O-N 3.19Å; L224-L229 HydrophobicContact CD1-CD1 3.7Å; L224-L229 HydrophobicContact CD2-CD1 3.48Å; L224-L229 VanDerWaalsContact CD2-CD1 3.48Å; L224-L229 HydrophobicContact CD2-CG 4.25Å; L224-L229 HydrophobicContact CG-CD1 4.12Å; L224-L333 HydrophobicContact CD2-CD1 3.99Å; L224-V418 HydrophobicContact CD1-CG2 3.62Å; L224-V418 HydrophobicContact CD2-CG2 4.16Å; L224-V418 HydrophobicContact CG-CG2 3.86Å | ||
| 225 | S | 50.4 | Low | 58.5 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | trans | -70 | 136.2 | 158.9 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | L223 S227 D228 | L223-S225 PolarHBondContact O-N 3.45Å; S225-S227 PolarHBondContact O-N 3.07Å; S225-S227 PolarHBondContact OG-OG 2.78Å; S225-D228 PolarHBondContact O-N 2.97Å | ||
| 226 | F | 41 | Very low | 55.2 | Low | 203 Ų | 203 | 91 Ų | 91 | 89% | 0.89 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -18.8 | -179.1 | -76 | -87 | 0 | 0 | 0 | 114.2 | ||
| 227 | S | 40.8 | Very low | 52 | Low | 70 Ų | 70 | 89.2 Ų | 89.2 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -29 | 178.8 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | S225 L229 S230 | S225-S227 PolarHBondContact O-N 3.07Å; S225-S227 PolarHBondContact OG-OG 2.78Å; S227-L229 PolarHBondContact O-N 2.8Å; S227-S230 PolarHBondContact O-OG 2.91Å |
| 228 | D | 39.9 | Very low | 48.7 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.8 | -156.9 | -64.4 | -8.3 | 0 | 0 | 0 | 113.8 | S225 | S225-D228 PolarHBondContact O-N 2.97Š|
| 229 | L | 43 | Very low | 45.5 | Very low | 58 Ų | 58 | 96.6 Ų | 96.6 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 25.5 | 177.9 | -83.4 | 166.2 | 0 | 0 | 0 | 113.9 | L224 S227 L231 I420 | L224-L229 HydrophobicContact CD1-CD1 3.7Å; L224-L229 HydrophobicContact CD2-CD1 3.48Å; L224-L229 VanDerWaalsContact CD2-CD1 3.48Å; L224-L229 HydrophobicContact CD2-CG 4.25Å; L224-L229 HydrophobicContact CG-CD1 4.12Å; S227-L229 PolarHBondContact O-N 2.8Å; L229-L231 HydrophobicContact CD2-CD1 4.2Å; L229-L231 PolarHBondContact O-N 2.79Å; L229-I420 HydrophobicContact CD1-CG2 3.82Å; L229-I420 HydrophobicContact CD2-CB 4.24Å; L229-I420 HydrophobicContact CD2-CD1 4.14Å; L229-I420 HydrophobicContact CD2-CG2 3.78Å; L229-I420 HydrophobicContact CG-CG2 4.47Å |
| 230 | S | 34.7 | Very low | 42.4 | Very low | 98 Ų | 98 | 99 Ų | 99 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -66.4 | 51 | 162.7 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | S227 N232 | S227-S230 PolarHBondContact O-OG 2.91Å; S230-N232 PolarHBondContact O-N 2.96Å | ||
| 231 | L | 39.1 | Very low | 39.6 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 44% | 0.44 | 57% | 0.57 | S | S | . | * | trans | -67.8 | 78.7 | 155.9 | -87.5 | 164.8 | 0 | 0 | 0 | 107.2 | L229 I233 I420 | L229-L231 HydrophobicContact CD2-CD1 4.2Å; L229-L231 PolarHBondContact O-N 2.79Å; L231-I233 PolarHBondContact O-N 3.23Å; L231-I420 HydrophobicContact CD1-CD1 3.98Å | ||
| 232 | N | 32.8 | Very low | 37.2 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | trans | 14.9 | 59.3 | 163.3 | -69.9 | -25.6 | 0 | 0 | 0 | 115 | S230 P234 | S230-N232 PolarHBondContact O-N 2.96Å; N232-P234 WeakPolarHBondContact O-CD 3.1Å | ||
| 233 | I | 37 | Very low | 35.1 | Very low | 103 Ų | 103 | 112.2 Ų | 112.2 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | trans | -71 | 120.6 | 157.7 | -59.6 | 174.2 | 0 | 0 | 0 | 101.3 | L231 L235 | L231-I233 PolarHBondContact O-N 3.23Å; I233-L235 PolarHBondContact O-N 2.67Å | ||
| 234 | P | 27.4 | Very low | 33.2 | Very low | 120 Ų | 120 | 111.7 Ų | 111.7 | 78% | 0.779 | 61% | 0.61 | S | S | * | * | trans | -64.2 | 86.8 | 174.7 | -10.2 | 25.1 | 0 | 0 | 0 | 106.4 | N232 D236 | N232-P234 WeakPolarHBondContact O-CD 3.1Å; P234-D236 PolarHBondContact O-N 3.4Å | ||
| 235 | L | 28 | Very low | 31.6 | Very low | 137 Ų | 137 | 116.4 Ų | 116.4 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | trans | -73.8 | 92.2 | 167 | -142.4 | 86 | 0 | 0 | 0 | 103.1 | I233 T237 | I233-L235 PolarHBondContact O-N 2.67Å; L235-T237 VanDerWaalsContact C-N 3.25Å; L235-T237 PolarHBondContact O-N 3.09Å | ||
| 236 | D | 25.4 | Very low | 30.3 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 54% | 0.54 | 64% | 0.644 | S | S | . | * | trans | -60 | 95.3 | 175.7 | -156.4 | -0.2 | 0 | 0 | 0 | 106.7 | P234 N238 R239 | P234-D236 PolarHBondContact O-N 3.4Å; D236-N238 PolarHBondContact O-N 2.92Å; D236-R239 PolarHBondContact O-N 3.01Å | ||
| 237 | T | 28.3 | Very low | 29.5 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -8.6 | -168.9 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | L235 S240 | L235-T237 VanDerWaalsContact C-N 3.25Å; L235-T237 PolarHBondContact O-N 3.09Å; T237-S240 PolarHBondContact O-OG 3.39Å |
| 238 | N | 25.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5 | 176.2 | -71 | -29 | 0 | 0 | 0 | 114.2 | D236 | D236-N238 PolarHBondContact O-N 2.92Š|
| 239 | R | 25.5 | Very low | 28 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 44% | 0.442 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -87.5 | -10.6 | 174.8 | -79.2 | -168.8 | 176.7 | -165.7 | -0 | 115.3 | D236 R241 Q242 S464 | D236-R239 PolarHBondContact O-N 3.01Å; R239-R241 PolarHBondContact O-N 3.35Å; R239-Q242 PolarHBondContact O-N 3.28Å; R239-S464 VanDerWaalsContact CZ-OG 3.24Å; R239-S464 PolarHBondContact NH1-OG 2.84Å; R239-S464 VanDerWaalsContact NH2-N 3.11Å; R239-S464 PolarHBondContact NH2-OG 3.49Å |
| 240 | S | 25.8 | Very low | 27.2 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -1 | -178.5 | -34.6 | 0 | 0 | 0 | 0 | 114.6 | T237 | T237-S240 PolarHBondContact O-OG 3.39Š|
| 241 | R | 25.3 | Very low | 26.6 | Very low | 242 Ų | 242 | 125.3 Ų | 125.3 | 91% | 0.913 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 6.1 | -178.7 | -77.9 | -168.1 | 175.5 | -162.8 | -0.7 | 116.3 | R239 | R239-R241 PolarHBondContact O-N 3.35Š|
| 242 | Q | 22.1 | Very low | 25.8 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | 15 | -178.5 | -126.1 | 174.3 | 4.9 | 0 | 0 | 117.5 | R239 G244 | R239-Q242 PolarHBondContact O-N 3.28Å; Q242-G244 PolarHBondContact O-N 3.07Å |
| 243 | V | 25 | Very low | 25.3 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 54% | 0.539 | 69% | 0.686 | S | S | . | * | trans | -99.6 | 72.2 | 171.1 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | I245 | V243-I245 HydrophobicContact CG1-CB 3.83Å; V243-I245 HydrophobicContact CG1-CD1 4.02Å; V243-I245 HydrophobicContact CG1-CG1 3.85Å; V243-I245 PolarHBondContact O-N 3.21Å | ||
| 244 | G | 22.4 | Very low | 24.5 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | -84.8 | 66.2 | 148 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q242 | Q242-G244 PolarHBondContact O-N 3.07Š| ||
| 245 | I | 23.7 | Very low | 24.2 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | trans | -104.9 | 109.3 | 168.2 | -62.3 | 177 | 0 | 0 | 0 | 104.5 | V243 S247 | V243-I245 HydrophobicContact CG1-CB 3.83Å; V243-I245 HydrophobicContact CG1-CD1 4.02Å; V243-I245 HydrophobicContact CG1-CG1 3.85Å; V243-I245 PolarHBondContact O-N 3.21Å; I245-S247 PolarHBondContact O-N 3.04Å | ||
| 246 | N | 22.8 | Very low | 23.9 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | trans | -37.9 | 98.2 | 176.7 | -65.6 | -18.3 | 0 | 0 | 0 | 111.5 | H248 | N246-H248 HydrophobicContact CB-CB 4.32Å; N246-H248 PolarHBondContact O-N 2.9Å; N246-H248 VanDerWaalsContact O-N 3.12Å | ||
| 247 | S | 24.9 | Very low | 23.7 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -76.4 | 28.3 | 160.4 | 52 | 0 | 0 | 0 | 0 | 111.2 | I245 E249 | I245-S247 PolarHBondContact O-N 3.04Å; S247-E249 PolarHBondContact O-N 2.87Å | ||
| 248 | H | 23.6 | Very low | 23.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 73.6 | 173.4 | -74.3 | -68.7 | 0 | 0 | 0 | 109 | N246 | N246-H248 HydrophobicContact CB-CB 4.32Å; N246-H248 PolarHBondContact O-N 2.9Å; N246-H248 VanDerWaalsContact O-N 3.12Å |
| 249 | E | 25 | Very low | 23.3 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.3 | 6.6 | 156.4 | -111.8 | 166.2 | -146.5 | 0 | 0 | 113.5 | S247 | S247-E249 PolarHBondContact O-N 2.87Š|
| 250 | Y | 25.9 | Very low | 23.1 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -114.8 | 14.1 | 167.4 | -82.1 | -75.5 | 0 | 0 | 0 | 113.8 | N296 | Y250-N296 WeakPolarHBondContact CD1-ND2 3.31Š|
| 251 | S | 23.4 | Very low | 23.1 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 50% | 0.503 | 76% | 0.761 | S | S | . | * | trans | -139.2 | 68.9 | -172.7 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 252 | N | 21.2 | Very low | 23 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -112.9 | 58.8 | 157.4 | -101.4 | 2.7 | 0 | 0 | 0 | 109.6 | ||||
| 253 | C | 22.7 | Very low | 23.3 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -118.6 | 99.4 | 158.1 | -70.5 | 0 | 0 | 0 | 0 | 106.2 | W255 | C253-W255 VanDerWaalsContact C-N 3.3Å; C253-W255 PolarHBondContact O-N 2.91Å | ||
| 254 | T | 20 | Very low | 23.7 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 90.6 | 167.5 | 45.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 255 | W | 22.3 | Very low | 24.4 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -123.4 | 133.2 | 167.5 | -84 | 62.1 | 0 | 0 | 0 | 109.2 | C253 | C253-W255 VanDerWaalsContact C-N 3.3Å; C253-W255 PolarHBondContact O-N 2.91Å | ||
| 256 | D | 21.7 | Very low | 25.5 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -52.7 | 152.2 | -168.3 | -150 | -7.6 | 0 | 0 | 0 | 114.4 | S258 | D256-S258 PolarHBondContact O-N 2.89Š| ||
| 257 | D | 20 | Very low | 27.1 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -56.5 | 107.6 | -174.4 | -81.9 | -42.7 | 0 | 0 | 0 | 113.3 | ||||
| 258 | S | 23.2 | Very low | 29.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -170.1 | 103 | 146.4 | 45 | 0 | 0 | 0 | 0 | 114 | D256 | D256-S258 PolarHBondContact O-N 2.89Š| ||
| 259 | V | 23.1 | Very low | 32.5 | Very low | 146 Ų | 146 | 135 Ų | 135 | 89% | 0.885 | 72% | 0.715 | S | S | * | * | trans | 37.4 | 99.7 | 139.5 | -169 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 260 | S | 22.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | trans | -179.5 | 150.9 | 131.6 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | N262 | S260-N262 PolarHBondContact O-N 3.04Š| ||
| 261 | H | 24 | Very low | 38.9 | Very low | 197 Ų | 197 | 121.6 Ų | 121.6 | 91% | 0.912 | 66% | 0.658 | S | S | * | * | trans | -54 | 89 | 179.3 | -80.6 | -73.5 | 0 | 0 | 0 | 113.9 | ||||
| 262 | N | 24 | Very low | 42.3 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | trans | -111 | 70.4 | 173.7 | -74.4 | -21.5 | 0 | 0 | 0 | 110.9 | S260 T264 | S260-N262 PolarHBondContact O-N 3.04Å; N262-T264 PolarHBondContact O-N 3.22Å | ||
| 263 | Q | 28.7 | Very low | 45.9 | Very low | 188 Ų | 188 | 112.3 Ų | 112.3 | 88% | 0.879 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.2 | 149.3 | -79.3 | 179.4 | 1.2 | 0 | 0 | 105.4 | P265 | Q263-P265 WeakPolarHBondContact O-CD 3.35Š|
| 264 | T | 33.2 | Very low | 49.3 | Very low | 127 Ų | 127 | 107.2 Ų | 107.2 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 117.1 | 178.8 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | N262 H266 | N262-T264 PolarHBondContact O-N 3.22Å; T264-H266 PolarHBondContact O-N 2.95Å |
| 265 | P | 36.4 | Very low | 52.9 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 127.3 | -176.8 | 23.8 | -30.1 | 0 | 0 | 0 | 107.1 | Q263 | Q263-P265 WeakPolarHBondContact O-CD 3.35Š|
| 266 | H | 48.1 | Very low | 56.4 | Low | 153 Ų | 153 | 90.8 Ų | 90.8 | 71% | 0.708 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -47.2 | 133.7 | 167.7 | -74.9 | -53 | 0 | 0 | 0 | 108.2 | T264 R268 | T264-H266 PolarHBondContact O-N 2.95Å; H266-R268 PolarHBondContact O-N 2.08Å |
| 267 | P | 55.1 | Low | 60 | Low | 51 Ų | 51 | 83.6 Ų | 83.6 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 130.4 | -179.9 | 23.8 | -32.8 | 0 | 0 | 0 | 107.6 | T269 W308 L428 | P267-T269 WeakPolarHBondContact CB-O 3.49Å; P267-T269 PolarHBondContact O-N 3.22Å; P267-W308 WeakPolarHBondContact O-CH2 3.33Å; P267-L428 HydrophobicContact CG-CD1 4.32Å |
| 268 | R | 73.9 | Confident | 63.7 | Low | 131 Ų | 131 | 76.1 Ų | 76.1 | 49% | 0.494 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -72.3 | -16.7 | -176.3 | -64.5 | -174.3 | -165.4 | -173.1 | 6.7 | 112.1 | D221 H266 | D221-R268 HydrophobicContact CB-CB 4.15Å; D221-R268 PolarHBondContact O-NH1 3.42Å; H266-R268 PolarHBondContact O-N 2.08Å |
| 269 | T | 88.7 | Confident | 67.1 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -130.2 | 157 | 177 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | I219 D221 P267 L271 W419 | I219-T269 HydrophobicContact CG2-CG2 3.63Å; D221-T269 WeakPolarHBondContact OD1-CG2 3.22Å; D221-T269 WeakPolarHBondContact OD2-CG2 3.14Å; P267-T269 WeakPolarHBondContact CB-O 3.49Å; P267-T269 PolarHBondContact O-N 3.22Å; T269-L271 PolarHBondContact O-N 2.99Å; T269-W419 HydrophobicContact CG2-CB 4.49Å |
| 270 | P | 93.1 | Very high | 70.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 130.5 | 168.8 | -18.5 | 28.7 | 0 | 0 | 0 | 110.4 | F190 N202 L287 W308 W419 | F190-P270 HydrophobicContact CZ-CB 4.01Å; N202-P270 WeakPolarHBondContact CB-O 3.33Å; N202-P270 PolarHBondContact ND2-O 3.28Å; N202-P270 VanDerWaalsContact ND2-O 3.12Å; P270-L287 HydrophobicContact CB-CD2 3.61Å; P270-L287 HydrophobicContact CG-CD2 3.56Å; P270-W308 HydrophobicContact CB-CD2 4.48Å; P270-W308 HydrophobicContact CG-CB 4.32Å; P270-W308 HydrophobicContact CG-CD2 3.68Å; P270-W308 HydrophobicContact CG-CE3 3.97Å; P270-W308 HydrophobicContact CG-CG 3.85Å; P270-W308 HydrophobicContact CG-CZ3 4.48Å; P270-W419 VanDerWaalsContact CD-CD1 3.48Å; P270-W419 VanDerWaalsContact CD-CG 3.42Å; P270-W419 HydrophobicContact CG-CD2 3.8Å; P270-W419 HydrophobicContact CG-CE3 4.18Å; P270-W419 HydrophobicContact CG-CG 4.03Å; P270-W419 HydrophobicContact CG-CZ2 4.41Å |
| 271 | L | 92.7 | Very high | 73.5 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 150.5 | 169 | -67.8 | -178.5 | 0 | 0 | 0 | 111.9 | T269 R273 S292 P295 I302 L428 | T269-L271 PolarHBondContact O-N 2.99Å; L271-R273 PolarHBondContact O-N 2.97Å; L271-R273 PolarHBondContact O-NE 3.12Å; L271-R273 PolarHBondContact O-NH2 3.29Å; L271-S292 WeakPolarHBondContact CB-OG 3.47Å; L271-P295 HydrophobicContact CD1-CG 4.25Å; L271-I302 HydrophobicContact CD1-CD1 3.53Å; L271-L428 HydrophobicContact CD1-CD1 3.55Å; L271-L428 HydrophobicContact CD1-CD2 4.1Å; L271-L428 HydrophobicContact CD1-CG 4.5Å; L271-L428 HydrophobicContact CG-CD1 4.31Å |
| 272 | P | 94.8 | Very high | 76.1 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -51.7 | 129.1 | 170.6 | -24.5 | 34.2 | 0 | 0 | 0 | 112.4 | Y200 D201 N202 S292 | Y200-P272 VanDerWaalsContact C-CB 3.48Å; Y200-P272 VanDerWaalsContact CB-C 3.44Å; Y200-P272 WeakPolarHBondContact O-CB 3.36Å; D201-P272 WeakPolarHBondContact O-CA 3.37Å; N202-P272 HydrophobicContact CB-CB 4.32Å; N202-P272 HydrophobicContact CB-CG 4.15Å; P272-S292 WeakPolarHBondContact O-CB 3.24Å; P272-S292 PolarHBondContact O-OG 3.37Å; P272-S292 VanDerWaalsContact O-OG 3.05Å |
| 273 | R | 95.3 | Very high | 78.7 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | trans | -156.8 | 156.8 | -171.9 | 66.2 | -171 | 68.8 | -174 | -1.6 | 115 | F190 G192 D201 L271 A276 G289 R291 D304 | F190-R273 HydrophobicContact CE1-CG 3.65Å; F190-R273 HydrophobicContact CZ-CG 4.14Å; G192-R273 PolarHBondContact N-O 2.89Å; D201-R273 PolarHBondContact O-N 3.39Å; L271-R273 PolarHBondContact O-N 2.97Å; L271-R273 PolarHBondContact O-NE 3.12Å; L271-R273 PolarHBondContact O-NH2 3.29Å; R273-A276 HydrophobicContact CG-CB 4.28Å; R273-G289 WeakPolarHBondContact CD-O 3.39Å; R273-G289 PolarHBondContact NH1-O 3.13Å; R273-R291 WeakPolarHBondContact CA-O 3.38Å; R273-R291 WeakPolarHBondContact CB-O 3.39Å; R273-D304 IonicContact CZ-OD2 3.81Å; R273-D304 VanDerWaalsContact CZ-OD2 3.29Å; R273-D304 VanDerWaalsContact NH1-CG 3.34Å; R273-D304 IonicContact NH1-OD2 3.86Å; R273-D304 PolarHBondContact NH1-OD2 3.1Å; R273-D304 IonicContact NH2-OD2 3.02Å; R273-D304 PolarHBondContact NH2-OD2 2.93Å | ||
| 274 | D | 95.3 | Very high | 81.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 169.3 | 167.7 | 71.1 | -1.8 | 0 | 0 | 0 | 112.1 | F193 Y200 A276 G290 R291 | F193-D274 HydrophobicContact CB-CB 4.49Å; Y200-D274 HydrophobicContact CD1-CB 4.12Å; Y200-D274 HydrophobicContact CE1-CB 4.21Å; D274-A276 PolarHBondContact O-N 3.37Å; D274-G290 CarbonylContact O-C 3.42Å; D274-G290 WeakPolarHBondContact O-CA 3.5Å; D274-R291 PolarHBondContact N-O 2.58Å; D274-R291 VanDerWaalsContact N-O 3.07Å; D274-R291 PolarHBondContact O-N 3.45Å; D274-R291 WeakPolarHBondContact OD1-CB 3.42Å; D274-R291 IonicContact OD1-CZ 3.33Å; D274-R291 IonicContact OD1-NE 3.25Å; D274-R291 PolarHBondContact OD1-NE 3.45Å; D274-R291 IonicContact OD1-NH2 3.3Å; D274-R291 IonicContact OD2-CZ 3.53Å; D274-R291 IonicContact OD2-NE 3.62Å; D274-R291 PolarHBondContact OD2-NE 2.95Å; D274-R291 IonicContact OD2-NH2 3.01Å; D274-R291 PolarHBondContact OD2-NH2 3.36Å |
| 275 | F | 95.1 | Very high | 84.5 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52 | 29.7 | 174.8 | -55.3 | -58.4 | 0 | 0 | 0 | 115.1 | G177 R473 S474 | G177-F275 PolarHBondContact O-N 3.24Å; F275-R473 HydrophobicContact CB-CB 4.07Å; F275-S474 PolarHBondContact O-N 3.41Å |
| 276 | A | 96.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 175.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S179 R273 D274 L287 | S179-A276 PolarHBondContact OG-O 2.82Å; R273-A276 HydrophobicContact CG-CB 4.28Å; D274-A276 PolarHBondContact O-N 3.37Å; A276-L287 HydrophobicContact CB-CD1 3.64Å |
| 277 | C | 96.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.1 | 163.5 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | L287 F288 L475 H477 I486 | C277-L287 WeakPolarHBondContact O-CA 3.34Å; C277-L287 WeakPolarHBondContact O-CD1 3.49Å; C277-F288 PolarHBondContact N-O 2.83Å; C277-F288 PolarHBondContact O-N 2.94Å; C277-F288 VanDerWaalsContact O-N 3.14Å; C277-F288 PolarHBondContact SG-O 2.84Å; C277-L475 HydrophobicContact CB-CD1 4.08Å; C277-L475 HydrophobicContact CB-CG 4.35Å; C277-H477 HydrophobicContact CB-CB 3.81Å; C277-H477 WeakPolarHBondContact CB-CD2 3.46Å; C277-I486 WeakPolarHBondContact SG-CD1 3.48Å |
| 278 | L | 97.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.5 | 171.5 | -170.8 | 75.2 | 0 | 0 | 0 | 107.8 | T181 F188 F190 I285 F286 L287 H477 | T181-L278 HydrophobicContact CG2-CD2 3.88Å; T181-L278 HydrophobicContact CG2-CG 3.93Å; F188-L278 HydrophobicContact CB-CD2 4.5Å; F190-L278 HydrophobicContact CB-CD1 4.16Å; F190-L278 HydrophobicContact CB-CD2 4.02Å; L278-I285 HydrophobicContact CD1-CG2 3.62Å; L278-I285 HydrophobicContact CG-CG2 4.11Å; L278-F286 WeakPolarHBondContact CA-O 3.26Å; L278-L287 HydrophobicContact CD1-CB 4.24Å; L278-L287 HydrophobicContact CD1-CD1 4.34Å; L278-H477 PolarHBondContact O-CE1 2.95Å |
| 279 | T | 94.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 9% | 0.086 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | -177.9 | -161.3 | 0 | 0 | 0 | 0 | 110.3 | F286 L484 | T279-F286 HydrophobicContact CG2-CB 4.07Å; T279-F286 HydrophobicContact CG2-CD2 4.42Å; T279-F286 PolarHBondContact N-O 3.35Å; T279-F286 PolarHBondContact O-N 2.72Å; T279-L484 HydrophobicContact CG2-CD2 4Å |
| 280 | S | 91 | Very high | 93 | Very high | 24 Ų | 24 | 12.2 Ų | 12.2 | 17% | 0.168 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.5 | 166 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | T181 V182 R284 S479 | T181-S280 PolarHBondContact OG1-N 3.18Å; T181-S280 PolarHBondContact OG1-OG 2.9Å; V182-S280 WeakPolarHBondContact O-CB 3.09Å; V182-S280 PolarHBondContact O-OG 3.34Å; S280-R284 CarbonylContact C-O 3.57Å; S280-R284 WeakPolarHBondContact CA-O 3.21Å; S280-S479 PolarHBondContact O-OG 2.87Å |
| 281 | H | 88.6 | Confident | 93 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 3% | 0.032 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 131.9 | 173.1 | -165.6 | 38.1 | 0 | 0 | 0 | 110.6 | G283 R284 F286 E364 G482 L484 | H281-G283 PolarHBondContact O-N 3.05Å; H281-R284 PolarHBondContact N-O 2.79Å; H281-R284 WeakPolarHBondContact O-CB 3.33Å; H281-R284 PolarHBondContact O-N 3.08Å; H281-R284 VanDerWaalsContact O-N 3.15Å; H281-F286 HydrophobicContact CB-CE2 4.33Å; H281-E364 IonicContact CE1-OE1 3.08Å; H281-E364 PolarHBondContact CE1-OE1 3.04Å; H281-E364 VanDerWaalsContact CE1-OE1 3.3Å; H281-E364 IonicContact CE1-OE2 2.9Å; H281-E364 PolarHBondContact CE1-OE2 3.35Å; H281-E364 IonicContact ND1-OE2 3.44Å; H281-G482 WeakPolarHBondContact NE2-CA 3.48Å; H281-G482 PolarHBondContact NE2-N 3.25Å; H281-L484 HydrophobicContact CB-CD2 3.89Å |
| 282 | Q | 79.2 | Confident | 93 | Very high | 38 Ų | 38 | 13.5 Ų | 13.5 | 18% | 0.178 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 49 | 177.5 | -58.9 | -178.3 | -32.7 | 0 | 0 | 113.5 | R284 W385 | Q282-R284 VanDerWaalsContact C-N 3.32Å; Q282-R284 PolarHBondContact O-N 3.11Å; Q282-W385 HydrophobicContact CB-CB 4.15Å |
| 283 | G | 79.1 | Confident | 92.7 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 16 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | H281 E363 R411 | H281-G283 PolarHBondContact O-N 3.05Å; G283-E363 PolarHBondContact N-OE1 3.41Å; G283-R411 PolarHBondContact O-NH2 3.2Å |
| 284 | R | 88.2 | Confident | 92.2 | Very high | 38 Ų | 38 | 14.9 Ų | 14.9 | 14% | 0.143 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 157 | -173.7 | -58.9 | 162.8 | 72.9 | -166.4 | -0.2 | 110.5 | S280 H281 Q282 F286 E309 | S280-R284 CarbonylContact C-O 3.57Å; S280-R284 WeakPolarHBondContact CA-O 3.21Å; H281-R284 PolarHBondContact N-O 2.79Å; H281-R284 WeakPolarHBondContact O-CB 3.33Å; H281-R284 PolarHBondContact O-N 3.08Å; H281-R284 VanDerWaalsContact O-N 3.15Å; Q282-R284 VanDerWaalsContact C-N 3.32Å; Q282-R284 PolarHBondContact O-N 3.11Å; R284-F286 HydrophobicContact CB-CE2 3.71Å; R284-F286 HydrophobicContact CB-CZ 3.76Å; R284-F286 VanDerWaalsContact CZ-CZ 3.47Å; R284-E309 IonicContact CZ-OE1 2.9Å; R284-E309 VanDerWaalsContact CZ-OE1 3.29Å; R284-E309 IonicContact CZ-OE2 3.49Å; R284-E309 IonicContact NE-OE1 3.36Å; R284-E309 PolarHBondContact NE-OE1 3.25Å; R284-E309 IonicContact NE-OE2 3.6Å; R284-E309 IonicContact NH2-OE1 3.7Å; R284-E309 PolarHBondContact NH2-OE1 2.98Å; R284-E309 VanDerWaalsContact NH2-OE1 3.09Å; R284-E309 IonicContact NH2-OE2 3.74Å; R284-E309 PolarHBondContact NH2-OE2 3.13Å |
| 285 | I | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.8 | 179 | -60.7 | 178.3 | 0 | 0 | 0 | 109.2 | T181 L183 F188 L278 E309 L310 W412 | T181-I285 HydrophobicContact CG2-CG2 4.36Å; L183-I285 HydrophobicContact CB-CD1 4.4Å; L183-I285 HydrophobicContact CB-CG1 4.44Å; L183-I285 HydrophobicContact CD2-CD1 3.98Å; L183-I285 HydrophobicContact CD2-CG1 3.73Å; F188-I285 HydrophobicContact CB-CD1 4.23Å; F188-I285 HydrophobicContact CD1-CD1 3.78Å; F188-I285 HydrophobicContact CD2-CD1 3.71Å; F188-I285 HydrophobicContact CE1-CD1 3.98Å; F188-I285 HydrophobicContact CE2-CD1 3.93Å; F188-I285 HydrophobicContact CG-CD1 3.63Å; F188-I285 HydrophobicContact CZ-CD1 4.05Å; L278-I285 HydrophobicContact CD1-CG2 3.62Å; L278-I285 HydrophobicContact CG-CG2 4.11Å; I285-E309 WeakPolarHBondContact O-CA 3.41Å; I285-L310 HydrophobicContact CB-CB 4.29Å; I285-L310 HydrophobicContact CG2-CB 4.45Å; I285-L310 PolarHBondContact O-N 3.18Å; I285-W412 HydrophobicContact CD1-CH2 3.99Å; I285-W412 HydrophobicContact CD1-CZ2 3.87Å; I285-W412 HydrophobicContact CG1-CH2 4.44Å; I285-W412 HydrophobicContact CG1-CZ2 4.16Å |
| 286 | F | 96.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.3 | -179.8 | -54.9 | -84.8 | 0 | 0 | 0 | 111.8 | L278 T279 H281 R284 L307 W308 E309 R422 L484 L511 | L278-F286 WeakPolarHBondContact CA-O 3.26Å; T279-F286 HydrophobicContact CG2-CB 4.07Å; T279-F286 HydrophobicContact CG2-CD2 4.42Å; T279-F286 PolarHBondContact N-O 3.35Å; T279-F286 PolarHBondContact O-N 2.72Å; H281-F286 HydrophobicContact CB-CE2 4.33Å; R284-F286 HydrophobicContact CB-CE2 3.71Å; R284-F286 HydrophobicContact CB-CZ 3.76Å; R284-F286 VanDerWaalsContact CZ-CZ 3.47Å; F286-L307 HydrophobicContact CB-CD1 4.23Å; F286-W308 CarbonylContact C-O 3.51Å; F286-W308 WeakPolarHBondContact CA-O 3.33Å; F286-E309 HydrophobicContact CD1-CB 3.9Å; F286-E309 HydrophobicContact CD1-CG 4.24Å; F286-E309 HydrophobicContact CE1-CB 3.96Å; F286-E309 HydrophobicContact CE1-CG 3.98Å; F286-R422 HydrophobicContact CE1-CG 4.44Å; F286-L484 HydrophobicContact CB-CD1 3.95Å; F286-L484 HydrophobicContact CD1-CD1 4.08Å; F286-L484 HydrophobicContact CD2-CD1 3.79Å; F286-L484 HydrophobicContact CD2-CD2 3.99Å; F286-L484 HydrophobicContact CE2-CD1 4.29Å; F286-L484 HydrophobicContact CE2-CD2 4.25Å; F286-L484 HydrophobicContact CG-CD1 3.66Å; F286-L511 HydrophobicContact CE1-CD2 3.84Å; F286-L511 HydrophobicContact CE2-CD1 4.17Å; F286-L511 HydrophobicContact CE2-CD2 4.03Å; F286-L511 HydrophobicContact CZ-CD1 4.13Å; F286-L511 HydrophobicContact CZ-CD2 3.46Å; F286-L511 VanDerWaalsContact CZ-CD2 3.46Å; F286-L511 HydrophobicContact CZ-CG 4.47Å |
| 287 | L | 98.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136 | 176.9 | 173.4 | 78.6 | 0 | 0 | 0 | 109.8 | F190 P270 A276 C277 L278 W308 W419 | F190-L287 HydrophobicContact CD1-CD1 3.45Å; F190-L287 VanDerWaalsContact CD1-CD1 3.45Å; F190-L287 HydrophobicContact CD1-CD2 4.01Å; F190-L287 HydrophobicContact CD1-CG 4.38Å; F190-L287 HydrophobicContact CE1-CD1 3.51Å; F190-L287 HydrophobicContact CE1-CD2 3.42Å; F190-L287 VanDerWaalsContact CE1-CD2 3.42Å; F190-L287 HydrophobicContact CE1-CG 4.12Å; F190-L287 HydrophobicContact CE2-CD2 4.03Å; F190-L287 HydrophobicContact CG-CD1 4.3Å; F190-L287 HydrophobicContact CZ-CD1 4.37Å; F190-L287 HydrophobicContact CZ-CD2 3.44Å; F190-L287 VanDerWaalsContact CZ-CD2 3.44Å; P270-L287 HydrophobicContact CB-CD2 3.61Å; P270-L287 HydrophobicContact CG-CD2 3.56Å; A276-L287 HydrophobicContact CB-CD1 3.64Å; C277-L287 WeakPolarHBondContact O-CA 3.34Å; C277-L287 WeakPolarHBondContact O-CD1 3.49Å; L278-L287 HydrophobicContact CD1-CB 4.24Å; L278-L287 HydrophobicContact CD1-CD1 4.34Å; L287-W308 HydrophobicContact CB-CB 4.13Å; L287-W308 PolarHBondContact N-O 3.23Å; L287-W308 PolarHBondContact O-N 3.3Å; L287-W419 HydrophobicContact CB-CH2 3.73Å; L287-W419 HydrophobicContact CB-CZ3 3.82Å; L287-W419 HydrophobicContact CD2-CH2 4.07Å; L287-W419 HydrophobicContact CD2-CZ2 4.4Å; L287-W419 HydrophobicContact CD2-CZ3 4.44Å |
| 288 | F | 97.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.4 | 173.7 | 173.5 | -85.1 | 0 | 0 | 0 | 111.4 | C277 S305 L307 P469 R472 L475 I486 W516 | C277-F288 PolarHBondContact N-O 2.83Å; C277-F288 PolarHBondContact O-N 2.94Å; C277-F288 VanDerWaalsContact O-N 3.14Å; C277-F288 PolarHBondContact SG-O 2.84Å; F288-S305 WeakPolarHBondContact CE2-O 3.29Å; F288-L307 HydrophobicContact CB-CD1 4.03Å; F288-P469 HydrophobicContact CE2-CG 3.8Å; F288-P469 HydrophobicContact CZ-CB 3.95Å; F288-P469 HydrophobicContact CZ-CG 3.57Å; F288-R472 HydrophobicContact CE1-CG 4.04Å; F288-L475 HydrophobicContact CD1-CD1 3.86Å; F288-L475 HydrophobicContact CE1-CD1 4.18Å; F288-I486 HydrophobicContact CB-CD1 4.39Å; F288-I486 HydrophobicContact CD1-CD1 3.84Å; F288-I486 HydrophobicContact CD1-CG1 3.94Å; F288-I486 HydrophobicContact CD1-CG2 4.16Å; F288-I486 HydrophobicContact CE1-CG1 4.28Å; F288-I486 HydrophobicContact CE1-CG2 3.83Å; F288-I486 HydrophobicContact CG-CD1 4.32Å; F288-I486 HydrophobicContact CG-CG1 4.4Å; F288-W516 HydrophobicContact CD2-CZ2 4.14Å; F288-W516 HydrophobicContact CE2-CZ2 4.23Å |
| 289 | G | 95.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.1 | -155.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R273 D304 R472 | R273-G289 WeakPolarHBondContact CD-O 3.39Å; R273-G289 PolarHBondContact NH1-O 3.13Å; G289-D304 VanDerWaalsContact CA-O 3.27Å; G289-D304 WeakPolarHBondContact CA-O 3.35Å; G289-R472 WeakPolarHBondContact CA-O 3.4Å |
| 290 | G | 94.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.8 | 169.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D274 R472 | D274-G290 CarbonylContact O-C 3.42Å; D274-G290 WeakPolarHBondContact O-CA 3.5Å; G290-R472 PolarHBondContact N-O 3.45Å |
| 291 | R | 92.4 | Very high | 86.6 | Confident | 54 Ų | 54 | 35.8 Ų | 35.8 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134 | 175.6 | 159.9 | -176.6 | 75.7 | 145.6 | 8 | 109.1 | Y200 R273 D274 D301 Y303 R473 | Y200-R291 PolarHBondContact OH-NE 3.1Å; Y200-R291 VanDerWaalsContact OH-NE 3.15Å; Y200-R291 PolarHBondContact OH-NH1 3.23Å; Y200-R291 PolarHBondContact OH-NH2 2.85Å; R273-R291 WeakPolarHBondContact CA-O 3.38Å; R273-R291 WeakPolarHBondContact CB-O 3.39Å; D274-R291 PolarHBondContact N-O 2.58Å; D274-R291 VanDerWaalsContact N-O 3.07Å; D274-R291 PolarHBondContact O-N 3.45Å; D274-R291 WeakPolarHBondContact OD1-CB 3.42Å; D274-R291 IonicContact OD1-CZ 3.33Å; D274-R291 IonicContact OD1-NE 3.25Å; D274-R291 PolarHBondContact OD1-NE 3.45Å; D274-R291 IonicContact OD1-NH2 3.3Å; D274-R291 IonicContact OD2-CZ 3.53Å; D274-R291 IonicContact OD2-NE 3.62Å; D274-R291 PolarHBondContact OD2-NE 2.95Å; D274-R291 IonicContact OD2-NH2 3.01Å; D274-R291 PolarHBondContact OD2-NH2 3.36Å; R291-D301 VanDerWaalsContact CD-CG 3.44Å; R291-D301 WeakPolarHBondContact CD-OD1 3.31Å; R291-D301 WeakPolarHBondContact CD-OD2 3.38Å; R291-D301 HydrophobicContact CG-CB 4.08Å; R291-D301 IonicContact NH1-OD2 3.06Å; R291-Y303 HydrophobicContact CB-CD1 4.39Å; R291-Y303 HydrophobicContact CB-CE1 4.11Å; R291-R473 HydrophobicContact CB-CB 4.16Å |
| 292 | S | 91.6 | Very high | 86.7 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155.7 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | L271 P272 D301 I302 | L271-S292 WeakPolarHBondContact CB-OG 3.47Å; P272-S292 WeakPolarHBondContact O-CB 3.24Å; P272-S292 PolarHBondContact O-OG 3.37Å; P272-S292 VanDerWaalsContact O-OG 3.05Å; S292-D301 CarbonylContact O-C 3.49Å; S292-D301 WeakPolarHBondContact O-CA 3.37Å; S292-I302 PolarHBondContact N-O 3.13Å; S292-I302 WeakPolarHBondContact O-CG1 3.35Å; S292-I302 PolarHBondContact O-N 3.3Å |
| 293 | K | 88.3 | Confident | 87.3 | Confident | 63 Ų | 63 | 33.9 Ų | 33.9 | 27% | 0.274 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138.1 | 167.6 | -90 | 166.8 | -173.1 | -175.2 | 0 | 107.2 | D198 Y200 | D198-K293 PolarHBondContact O-NZ 3.02Å; D198-K293 IonicContact OD2-NZ 2.84Å; D198-K293 PolarHBondContact OD2-NZ 3.05Å; Y200-K293 HydrophobicContact CD2-CB 4.14Å; Y200-K293 HydrophobicContact CD2-CD 4.38Å; Y200-K293 HydrophobicContact CD2-CG 4.05Å; Y200-K293 HydrophobicContact CE2-CB 4.01Å; Y200-K293 HydrophobicContact CE2-CD 4.24Å; Y200-K293 HydrophobicContact CE2-CG 3.62Å |
| 294 | S | 85.3 | Confident | 87.8 | Confident | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | trans | -70.3 | 130 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | N296 H297 S300 | S294-N296 PolarHBondContact O-N 3.25Å; S294-H297 WeakPolarHBondContact CB-O 3.29Å; S294-H297 CarbonylContact O-C 3.45Å; S294-H297 PolarHBondContact O-N 2.94Å; S294-H297 PolarHBondContact OG-N 3.33Å; S294-S300 VanDerWaalsContact CB-O 3.25Å; S294-S300 WeakPolarHBondContact CB-O 3.45Å; S294-S300 WeakPolarHBondContact CB-OG 3.38Å; S294-S300 PolarHBondContact N-O 3.09Å | ||
| 295 | P | 78.2 | Confident | 88 | Confident | 92 Ų | 92 | 32.1 Ų | 32.1 | 60% | 0.597 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -61.4 | -31.9 | 177.6 | -22.5 | 31.9 | 0 | 0 | 0 | 113.5 | L271 | L271-P295 HydrophobicContact CD1-CG 4.25Š|
| 296 | N | 78.8 | Confident | 88 | Confident | 117 Ų | 117 | 32.3 Ų | 32.3 | 63% | 0.626 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -93.6 | -22 | -174.2 | -63.2 | -13.7 | 0 | 0 | 0 | 112.7 | Y250 S294 | Y250-N296 WeakPolarHBondContact CD1-ND2 3.31Å; S294-N296 PolarHBondContact O-N 3.25Å |
| 297 | H | 76.7 | Confident | 88 | Confident | 114 Ų | 114 | 32.4 Ų | 32.4 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | trans | -144.6 | 81.2 | -174.7 | -153 | -66.2 | 0 | 0 | 0 | 109.2 | S294 S299 S300 | S294-H297 WeakPolarHBondContact CB-O 3.29Å; S294-H297 CarbonylContact O-C 3.45Å; S294-H297 PolarHBondContact O-N 2.94Å; S294-H297 PolarHBondContact OG-N 3.33Å; H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 VanDerWaalsContact CE1-OG 3.22Å; H297-S299 PolarHBondContact ND1-OG 3.22Å; H297-S299 PolarHBondContact O-N 3.46Å; H297-S300 WeakPolarHBondContact CB-OG 3.2Å; H297-S300 PolarHBondContact O-N 3.13Å; H297-S300 PolarHBondContact O-OG 2.78Å | ||
| 298 | P | 72.5 | Confident | 87.9 | Confident | 96 Ų | 96 | 32.7 Ų | 32.7 | 62% | 0.623 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25 | -166.9 | -28.2 | 35.2 | 0 | 0 | 0 | 115.4 | S300 | P298-S300 PolarHBondContact O-N 2.78Š|
| 299 | S | 73.9 | Confident | 87.7 | Confident | 79 Ų | 79 | 33 Ų | 33 | 55% | 0.552 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -6.1 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | H297 Q494 | H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 VanDerWaalsContact CE1-OG 3.22Å; H297-S299 PolarHBondContact ND1-OG 3.22Å; H297-S299 PolarHBondContact O-N 3.46Å; S299-Q494 PolarHBondContact O-OE1 2.88Å |
| 300 | S | 81.5 | Confident | 87.6 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -111.3 | 137.6 | -178.5 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | S294 H297 P298 | S294-S300 VanDerWaalsContact CB-O 3.25Å; S294-S300 WeakPolarHBondContact CB-O 3.45Å; S294-S300 WeakPolarHBondContact CB-OG 3.38Å; S294-S300 PolarHBondContact N-O 3.09Å; H297-S300 WeakPolarHBondContact CB-OG 3.2Å; H297-S300 PolarHBondContact O-N 3.13Å; H297-S300 PolarHBondContact O-OG 2.78Å; P298-S300 PolarHBondContact O-N 2.78Å |
| 301 | D | 87.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 144.1 | 172.4 | -70.4 | -36 | 0 | 0 | 0 | 110.5 | R291 S292 Y303 P431 R473 Q494 | R291-D301 VanDerWaalsContact CD-CG 3.44Å; R291-D301 WeakPolarHBondContact CD-OD1 3.31Å; R291-D301 WeakPolarHBondContact CD-OD2 3.38Å; R291-D301 HydrophobicContact CG-CB 4.08Å; R291-D301 IonicContact NH1-OD2 3.06Å; S292-D301 CarbonylContact O-C 3.49Å; S292-D301 WeakPolarHBondContact O-CA 3.37Å; D301-Y303 HydrophobicContact CB-CE2 4.39Å; D301-P431 WeakPolarHBondContact O-CD 3.34Å; D301-R473 IonicContact OD2-NH1 3.68Å; D301-Q494 PolarHBondContact OD2-NE2 2.96Å |
| 302 | I | 91.3 | Very high | 87 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 153.4 | 168.3 | 54.3 | 169.5 | 0 | 0 | 0 | 110.6 | L271 S292 L428 | L271-I302 HydrophobicContact CD1-CD1 3.53Å; S292-I302 PolarHBondContact N-O 3.13Å; S292-I302 WeakPolarHBondContact O-CG1 3.35Å; S292-I302 PolarHBondContact O-N 3.3Å; I302-L428 HydrophobicContact CD1-CD1 4.11Å; I302-L428 HydrophobicContact CD1-CD2 4.15Å; I302-L428 HydrophobicContact CD1-CG 4.49Å |
| 303 | Y | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134 | -177 | -53.1 | -88.2 | 0 | 0 | 0 | 110.5 | R291 D301 Q429 P431 R473 I491 R492 | R291-Y303 HydrophobicContact CB-CD1 4.39Å; R291-Y303 HydrophobicContact CB-CE1 4.11Å; D301-Y303 HydrophobicContact CB-CE2 4.39Å; Y303-Q429 PolarHBondContact N-O 2.75Å; Y303-Q429 PolarHBondContact O-N 2.93Å; Y303-P431 HydrophobicContact CE2-CB 3.97Å; Y303-P431 HydrophobicContact CE2-CG 3.9Å; Y303-R473 HydrophobicContact CD1-CB 4.2Å; Y303-R473 HydrophobicContact CD1-CG 4.36Å; Y303-R473 HydrophobicContact CE1-CB 4.05Å; Y303-R473 HydrophobicContact CE1-CG 3.77Å; Y303-R473 PolarHBondContact OH-NH1 3.04Å; Y303-I491 HydrophobicContact CD1-CG2 4Å; Y303-I491 HydrophobicContact CD2-CB 4.24Å; Y303-I491 HydrophobicContact CD2-CG2 3.73Å; Y303-I491 HydrophobicContact CE1-CB 4.36Å; Y303-I491 HydrophobicContact CE1-CG2 4.07Å; Y303-I491 HydrophobicContact CE2-CB 3.85Å; Y303-I491 HydrophobicContact CE2-CG2 3.84Å; Y303-I491 HydrophobicContact CG-CG2 3.82Å; Y303-R492 PolarHBondContact OH-N 2.65Å; Y303-R492 PolarHBondContact OH-O 2.91Å |
| 304 | D | 90.2 | Very high | 85.6 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.7 | -178.8 | -162.8 | -8.5 | 0 | 0 | 0 | 111.3 | R273 G289 A306 W308 L428 G471 | R273-D304 IonicContact CZ-OD2 3.81Å; R273-D304 VanDerWaalsContact CZ-OD2 3.29Å; R273-D304 VanDerWaalsContact NH1-CG 3.34Å; R273-D304 IonicContact NH1-OD2 3.86Å; R273-D304 PolarHBondContact NH1-OD2 3.1Å; R273-D304 IonicContact NH2-OD2 3.02Å; R273-D304 PolarHBondContact NH2-OD2 2.93Å; G289-D304 VanDerWaalsContact CA-O 3.27Å; G289-D304 WeakPolarHBondContact CA-O 3.35Å; D304-A306 WeakPolarHBondContact OD1-CB 3.16Å; D304-A306 PolarHBondContact OD1-N 2.96Å; D304-W308 PolarHBondContact OD2-NE1 3.27Å; D304-L428 HydrophobicContact CB-CD2 3.78Å; D304-G471 VanDerWaalsContact O-CA 3.29Å; D304-G471 WeakPolarHBondContact O-CA 3.47Å |
| 305 | S | 92 | Very high | 84.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -114.8 | 1.2 | 175.7 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | F288 H426 G427 | F288-S305 WeakPolarHBondContact CE2-O 3.29Å; S305-H426 VanDerWaalsContact OG-C 3.23Å; S305-H426 VanDerWaalsContact OG-CA 3.28Å; S305-H426 WeakPolarHBondContact OG-CA 3.43Å; S305-H426 WeakPolarHBondContact OG-CB 3.3Å; S305-H426 PolarHBondContact OG-N 3.21Å; S305-G427 PolarHBondContact N-O 2.94Å; S305-G427 PolarHBondContact OG-N 3.43Å; S305-G427 PolarHBondContact OG-O 3.35Å | ||
| 306 | A | 93.6 | Very high | 82.7 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -70.8 | 142.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D304 I421 H423 P424 | D304-A306 WeakPolarHBondContact OD1-CB 3.16Å; D304-A306 PolarHBondContact OD1-N 2.96Å; A306-I421 HydrophobicContact CB-CG2 4.42Å; A306-H423 WeakPolarHBondContact CA-O 3.49Å; A306-P424 WeakPolarHBondContact CA-O 3.47Å | ||
| 307 | L | 96 | Very high | 81.2 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.8 | 167.9 | -179.6 | 67.1 | 0 | 0 | 0 | 108.4 | F286 F288 R422 H423 L484 F509 W516 | F286-L307 HydrophobicContact CB-CD1 4.23Å; F288-L307 HydrophobicContact CB-CD1 4.03Å; L307-R422 HydrophobicContact CD2-CB 4.31Å; L307-R422 HydrophobicContact CG-CB 4.39Å; L307-R422 PolarHBondContact O-N 2.88Å; L307-H423 HydrophobicContact CB-CB 4.03Å; L307-H423 PolarHBondContact N-O 3.02Å; L307-H423 PolarHBondContact O-N 3.1Å; L307-L484 HydrophobicContact CD1-CD1 4.11Å; L307-L484 HydrophobicContact CD2-CD1 4.12Å; L307-F509 HydrophobicContact CD2-CD1 3.39Å; L307-F509 HydrophobicContact CD2-CD2 3.99Å; L307-F509 HydrophobicContact CD2-CE1 3.34Å; L307-F509 HydrophobicContact CD2-CE2 3.95Å; L307-F509 HydrophobicContact CD2-CG 3.71Å; L307-F509 HydrophobicContact CD2-CZ 3.62Å; L307-W516 HydrophobicContact CB-CZ2 4.35Å; L307-W516 HydrophobicContact CD1-CZ2 4.45Å; L307-W516 HydrophobicContact CD2-CZ2 4.24Å |
| 308 | W | 96 | Very high | 79.6 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.5 | -179.4 | -64.7 | 91.1 | 0 | 0 | 0 | 111 | P267 P270 F286 L287 D304 W419 I420 I421 | P267-W308 WeakPolarHBondContact O-CH2 3.33Å; P270-W308 HydrophobicContact CB-CD2 4.48Å; P270-W308 HydrophobicContact CG-CB 4.32Å; P270-W308 HydrophobicContact CG-CD2 3.68Å; P270-W308 HydrophobicContact CG-CE3 3.97Å; P270-W308 HydrophobicContact CG-CG 3.85Å; P270-W308 HydrophobicContact CG-CZ3 4.48Å; F286-W308 CarbonylContact C-O 3.51Å; F286-W308 WeakPolarHBondContact CA-O 3.33Å; L287-W308 HydrophobicContact CB-CB 4.13Å; L287-W308 PolarHBondContact N-O 3.23Å; L287-W308 PolarHBondContact O-N 3.3Å; D304-W308 PolarHBondContact OD2-NE1 3.27Å; W308-W419 HydrophobicContact CB-CE3 3.72Å; W308-W419 HydrophobicContact CB-CZ3 3.81Å; W308-W419 HydrophobicContact CE3-CB 3.96Å; W308-W419 HydrophobicContact CZ3-CB 4.14Å; W308-I420 CarbonylContact C-O 3.57Å; W308-I420 WeakPolarHBondContact CA-O 3.35Å; W308-I421 HydrophobicContact CD2-CG1 4.04Å; W308-I421 HydrophobicContact CE3-CG1 3.68Å; W308-I421 HydrophobicContact CH2-CD1 3.71Å; W308-I421 HydrophobicContact CH2-CG1 3.58Å; W308-I421 HydrophobicContact CZ2-CD1 3.99Å; W308-I421 HydrophobicContact CZ2-CG1 3.93Å; W308-I421 HydrophobicContact CZ3-CD1 4.09Å; W308-I421 HydrophobicContact CZ3-CG1 3.45Å; W308-I421 VanDerWaalsContact CZ3-CG1 3.45Å |
| 309 | E | 94.8 | Very high | 78.1 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.4 | 168.8 | 175.6 | -179.2 | -168.7 | 0 | 0 | 109.6 | R284 I285 F286 I311 W419 I420 R422 | R284-E309 IonicContact CZ-OE1 2.9Å; R284-E309 VanDerWaalsContact CZ-OE1 3.29Å; R284-E309 IonicContact CZ-OE2 3.49Å; R284-E309 IonicContact NE-OE1 3.36Å; R284-E309 PolarHBondContact NE-OE1 3.25Å; R284-E309 IonicContact NE-OE2 3.6Å; R284-E309 IonicContact NH2-OE1 3.7Å; R284-E309 PolarHBondContact NH2-OE1 2.98Å; R284-E309 VanDerWaalsContact NH2-OE1 3.09Å; R284-E309 IonicContact NH2-OE2 3.74Å; R284-E309 PolarHBondContact NH2-OE2 3.13Å; I285-E309 WeakPolarHBondContact O-CA 3.41Å; F286-E309 HydrophobicContact CD1-CB 3.9Å; F286-E309 HydrophobicContact CD1-CG 4.24Å; F286-E309 HydrophobicContact CE1-CB 3.96Å; F286-E309 HydrophobicContact CE1-CG 3.98Å; E309-I311 HydrophobicContact CG-CG1 3.97Å; E309-W419 VanDerWaalsContact C-CE3 3.41Å; E309-I420 HydrophobicContact CB-CG1 3.98Å; E309-I420 PolarHBondContact N-O 3.41Å; E309-I420 PolarHBondContact O-N 2.75Å; E309-R422 HydrophobicContact CB-CG 3.49Å; E309-R422 VanDerWaalsContact CB-CG 3.49Å; E309-R422 WeakPolarHBondContact OE2-CD 3.37Å; E309-R422 WeakPolarHBondContact OE2-CG 3.39Å; E309-R422 IonicContact OE2-CZ 3.75Å; E309-R422 IonicContact OE2-NE 2.72Å; E309-R422 IonicContact OE2-NH1 3.85Å; E309-R422 PolarHBondContact OE2-NH1 3.3Å; E309-R422 VanDerWaalsContact OE2-NH1 3.1Å |
| 310 | L | 93.8 | Very high | 76.4 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.1 | 171.9 | -173.6 | 68 | 0 | 0 | 0 | 109.1 | V204 I219 I285 W412 A417 W419 | V204-L310 HydrophobicContact CG1-CD2 3.89Å; V204-L310 HydrophobicContact CG2-CD2 4.26Å; I219-L310 HydrophobicContact CD1-CD1 3.77Å; I285-L310 HydrophobicContact CB-CB 4.29Å; I285-L310 HydrophobicContact CG2-CB 4.45Å; I285-L310 PolarHBondContact O-N 3.18Å; L310-W412 HydrophobicContact CB-CH2 4.15Å; L310-W412 HydrophobicContact CD2-CH2 3.76Å; L310-W412 HydrophobicContact CD2-CZ3 3.57Å; L310-W412 HydrophobicContact CG-CH2 3.73Å; L310-W412 HydrophobicContact CG-CZ3 3.75Å; L310-W412 WeakPolarHBondContact O-CH2 3.24Å; L310-A417 HydrophobicContact CD1-CB 3.64Å; L310-A417 HydrophobicContact CG-CB 4.03Å; L310-W419 HydrophobicContact CB-CD2 4.24Å; L310-W419 HydrophobicContact CB-CE3 3.87Å; L310-W419 HydrophobicContact CB-CH2 3.75Å; L310-W419 HydrophobicContact CB-CZ2 4.11Å; L310-W419 HydrophobicContact CB-CZ3 3.62Å; L310-W419 HydrophobicContact CD1-CD2 3.78Å; L310-W419 HydrophobicContact CD1-CE3 4.28Å; L310-W419 HydrophobicContact CD1-CG 4.13Å; L310-W419 HydrophobicContact CD1-CH2 4.45Å; L310-W419 HydrophobicContact CD1-CZ2 3.94Å; L310-W419 HydrophobicContact CD2-CZ2 4.4Å; L310-W419 HydrophobicContact CG-CH2 4.49Å; L310-W419 HydrophobicContact CG-CZ2 4.37Å |
| 311 | I | 88.3 | Confident | 74.5 | Confident | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.3 | -178.2 | -62.6 | -174.7 | 0 | 0 | 0 | 109.5 | E309 A417 V418 I420 | E309-I311 HydrophobicContact CG-CG1 3.97Å; I311-A417 CarbonylContact O-C 3.46Å; I311-A417 WeakPolarHBondContact O-CA 3.31Å; I311-A417 VanDerWaalsContact O-CB 3.28Å; I311-A417 WeakPolarHBondContact O-CB 3.3Å; I311-V418 HydrophobicContact CB-CG1 4.12Å; I311-V418 PolarHBondContact N-O 3.1Å; I311-V418 PolarHBondContact O-N 3.07Å; I311-I420 HydrophobicContact CD1-CD1 3.35Å; I311-I420 HydrophobicContact CD1-CG1 3.64Å; I311-I420 HydrophobicContact CD1-CG2 4.09Å; I311-I420 HydrophobicContact CG1-CD1 4.37Å; I311-I420 HydrophobicContact CG1-CG1 4.2Å |
| 312 | P | 85.8 | Confident | 72.3 | Confident | 17 Ų | 17 | 45 Ų | 45 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.6 | 174.1 | 28.1 | -30.7 | 0 | 0 | 0 | 110.8 | R411 W412 | P312-R411 HydrophobicContact CB-CB 4.23Å; P312-R411 HydrophobicContact CG-CB 3.94Å; P312-W412 HydrophobicContact CB-CD2 3.75Å; P312-W412 HydrophobicContact CB-CE3 3.69Å; P312-W412 HydrophobicContact CB-CG 4.32Å; P312-W412 HydrophobicContact CB-CH2 4.29Å; P312-W412 HydrophobicContact CB-CZ2 4.35Å; P312-W412 HydrophobicContact CB-CZ3 3.96Å; P312-W412 HydrophobicContact CG-CD2 4.06Å; P312-W412 HydrophobicContact CG-CE3 4.33Å; P312-W412 HydrophobicContact CG-CH2 4.22Å; P312-W412 HydrophobicContact CG-CZ2 3.94Å; P312-W412 HydrophobicContact CG-CZ3 4.39Å |
| 313 | L | 80.2 | Confident | 69.7 | Low | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 140.9 | 174.7 | -62.6 | 172.2 | 0 | 0 | 0 | 110 | R220 L223 L333 S414 Y416 V418 | R220-L313 HydrophobicContact CB-CD1 3.86Å; R220-L313 HydrophobicContact CG-CD1 4.47Å; L223-L313 HydrophobicContact CD1-CD1 3.61Å; L313-L333 HydrophobicContact CD2-CD2 4.1Å; L313-S414 VanDerWaalsContact O-CB 3.23Å; L313-S414 WeakPolarHBondContact O-CB 3.36Å; L313-S414 PolarHBondContact O-OG 3.36Å; L313-Y416 PolarHBondContact N-O 3.22Å; L313-V418 HydrophobicContact CD1-CB 4.47Å; L313-V418 HydrophobicContact CD2-CB 4.5Å; L313-V418 HydrophobicContact CD2-CG1 4.01Å; L313-V418 HydrophobicContact CG-CG1 4.49Å |
| 314 | V | 68.5 | Low | 67 | Low | 73 Ų | 73 | 55.1 Ų | 55.1 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 132 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V316 A336 | V314-V316 PolarHBondContact O-N 3.43Å; V314-A336 HydrophobicContact CG2-CB 4.42Å |
| 315 | S | 54.5 | Low | 64.4 | Low | 46 Ų | 46 | 59.1 Ų | 59.1 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 124.6 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | S317 | S315-S317 PolarHBondContact O-N 3.11Å; S315-S317 PolarHBondContact OG-N 3.31Å; S315-S317 PolarHBondContact OG-OG 3.27Å |
| 316 | V | 48.6 | Very low | 61.6 | Low | 101 Ų | 101 | 66.2 Ų | 66.2 | 61% | 0.612 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.3 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | V314 D318 Y319 | V314-V316 PolarHBondContact O-N 3.43Å; V316-D318 PolarHBondContact O-N 2.97Å; V316-Y319 PolarHBondContact O-N 3.16Å |
| 317 | S | 48.5 | Very low | 58.7 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -59.1 | -18.5 | -178 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | S315 Y319 | S315-S317 PolarHBondContact O-N 3.11Å; S315-S317 PolarHBondContact OG-N 3.31Å; S315-S317 PolarHBondContact OG-OG 3.27Å; S317-Y319 VanDerWaalsContact C-N 3.3Å |
| 318 | D | 42.5 | Very low | 55.7 | Low | 115 Ų | 115 | 75.3 Ų | 75.3 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -81.8 | -9.4 | 178.9 | -66.4 | -9.3 | 0 | 0 | 0 | 113 | V316 S320 | V316-D318 PolarHBondContact O-N 2.97Å; D318-S320 PolarHBondContact O-N 2.9Å |
| 319 | Y | 40.3 | Very low | 52.6 | Low | 139 Ų | 139 | 84.3 Ų | 84.3 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -84.3 | 102.7 | 167.3 | -66.2 | -78.9 | 0 | 0 | 0 | 108.6 | V316 S317 S321 | V316-Y319 PolarHBondContact O-N 3.16Å; S317-Y319 VanDerWaalsContact C-N 3.3Å; Y319-S321 PolarHBondContact O-N 2.76Å |
| 320 | S | 38 | Very low | 49.5 | Very low | 82 Ų | 82 | 86.8 Ų | 86.8 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | trans | -43.1 | 130.1 | 168.3 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | D318 S322 | D318-S320 PolarHBondContact O-N 2.9Å; S320-S322 PolarHBondContact O-N 2.82Å | ||
| 321 | S | 42.7 | Very low | 46.5 | Very low | 110 Ų | 110 | 94.1 Ų | 94.1 | 77% | 0.769 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 12.4 | -167.4 | 48.9 | 0 | 0 | 0 | 0 | 117.3 | Y319 | Y319-S321 PolarHBondContact O-N 2.76Š|
| 322 | S | 41.3 | Very low | 43.7 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -12.2 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | S320 | S320-S322 PolarHBondContact O-N 2.82Š|
| 323 | D | 36 | Very low | 41.3 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 68% | 0.679 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -109.5 | 12.5 | -178 | -75.7 | -13.3 | 0 | 0 | 0 | 114.3 | A325 | D323-A325 PolarHBondContact O-N 2.92Š|
| 324 | T | 34.8 | Very low | 39.2 | Very low | 91 Ų | 91 | 106.8 Ų | 106.8 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -72.9 | -8.2 | -177.5 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | N326 | T324-N326 VanDerWaalsContact C-N 3.35Å; T324-N326 PolarHBondContact O-N 3.33Å |
| 325 | A | 35.7 | Very low | 37.9 | Very low | 89 Ų | 89 | 105.6 Ų | 105.6 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -81.5 | -1.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D323 | D323-A325 PolarHBondContact O-N 2.92Š|
| 326 | N | 34 | Very low | 37.3 | Very low | 149 Ų | 149 | 105.2 Ų | 105.2 | 80% | 0.797 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -149.1 | 37.2 | -177.5 | -92.6 | -30.4 | 0 | 0 | 0 | 114.2 | T324 S328 | T324-N326 VanDerWaalsContact C-N 3.35Å; T324-N326 PolarHBondContact O-N 3.33Å; N326-S328 VanDerWaalsContact C-N 3.28Å; N326-S328 PolarHBondContact O-N 3.3Å |
| 327 | I | 33.3 | Very low | 37.3 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | trans | -77.6 | 87.2 | 172.3 | -52.9 | 176.5 | 0 | 0 | 0 | 107.9 | ||||
| 328 | S | 31.6 | Very low | 37.5 | Very low | 91 Ų | 91 | 106.5 Ų | 106.5 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -65.3 | 140 | 171.8 | 32.3 | 0 | 0 | 0 | 0 | 110 | N326 G330 | N326-S328 VanDerWaalsContact C-N 3.28Å; N326-S328 PolarHBondContact O-N 3.3Å; S328-G330 PolarHBondContact O-N 3.29Å | ||
| 329 | E | 32.2 | Very low | 38 | Very low | 196 Ų | 196 | 105.5 Ų | 105.5 | 92% | 0.916 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 13.2 | -179.5 | -69.9 | 177.9 | 143.4 | 0 | 0 | 115.7 | ||
| 330 | G | 28.8 | Very low | 38.6 | Very low | 59 Ų | 59 | 102.8 Ų | 102.8 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 2.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | S328 K332 | S328-G330 PolarHBondContact O-N 3.29Å; G330-K332 PolarHBondContact O-N 3.39Å |
| 331 | Q | 31.5 | Very low | 39.5 | Very low | 156 Ų | 156 | 99.4 Ų | 99.4 | 73% | 0.729 | 57% | 0.571 | S | S | * | * | trans | -76 | 76.4 | 172.7 | -72.4 | -164.9 | 1.4 | 0 | 0 | 109.7 | L333 | Q331-L333 PolarHBondContact O-N 2.96Š| ||
| 332 | K | 28.7 | Very low | 40.1 | Very low | 164 Ų | 164 | 95.7 Ų | 95.7 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | trans | -31.8 | 129.7 | 165 | -65.3 | 176 | 174.7 | -179.9 | 0 | 108.9 | G330 T334 | G330-K332 PolarHBondContact O-N 3.39Å; K332-T334 HydrophobicContact CB-CG2 3.75Å; K332-T334 HydrophobicContact CD-CG2 4.41Å; K332-T334 PolarHBondContact O-N 2.59Å; K332-T334 PolarHBondContact O-OG1 2.85Å | ||
| 333 | L | 35.5 | Very low | 40.7 | Very low | 73 Ų | 73 | 95.9 Ų | 95.9 | 38% | 0.382 | 55% | 0.547 | S | S | . | . | trans | -60.5 | 58.5 | 162.3 | -75.2 | 158.1 | 0 | 0 | 0 | 109.5 | L224 L313 Q331 | L224-L333 HydrophobicContact CD2-CD1 3.99Å; L313-L333 HydrophobicContact CD2-CD2 4.1Å; Q331-L333 PolarHBondContact O-N 2.96Å | ||
| 334 | T | 37 | Very low | 41.7 | Very low | 86 Ų | 86 | 94.4 Ų | 94.4 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -80 | 149 | 163.6 | 51.5 | 0 | 0 | 0 | 0 | 105.7 | K332 A336 | K332-T334 HydrophobicContact CB-CG2 3.75Å; K332-T334 HydrophobicContact CD-CG2 4.41Å; K332-T334 PolarHBondContact O-N 2.59Å; K332-T334 PolarHBondContact O-OG1 2.85Å; T334-A336 VanDerWaalsContact C-N 3.28Å; T334-A336 WeakPolarHBondContact O-CA 3.36Å; T334-A336 PolarHBondContact O-N 3.01Å |
| 335 | P | 40.7 | Very low | 42.7 | Very low | 48 Ų | 48 | 90.6 Ų | 90.6 | 31% | 0.312 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -51.7 | 101.3 | 167.6 | -20.9 | 30.6 | 0 | 0 | 0 | 107.5 | W385 K386 | P335-W385 HydrophobicContact CB-CZ2 4.5Å; P335-K386 PolarHBondContact O-NZ 3.35Å |
| 336 | A | 42.5 | Very low | 43.6 | Very low | 38 Ų | 38 | 87.9 Ų | 87.9 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | trans | -49.3 | 148.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V314 T334 C338 K386 | V314-A336 HydrophobicContact CG2-CB 4.42Å; T334-A336 VanDerWaalsContact C-N 3.28Å; T334-A336 WeakPolarHBondContact O-CA 3.36Å; T334-A336 PolarHBondContact O-N 3.01Å; A336-C338 PolarHBondContact O-N 2.89Å; A336-K386 PolarHBondContact O-NZ 3.36Å | ||
| 337 | K | 47.9 | Very low | 44.7 | Very low | 200 Ų | 200 | 85.1 Ų | 85.1 | 87% | 0.87 | 47% | 0.47 | S | S | * | . | trans | -49.5 | 109 | 164.6 | -72.5 | 179.8 | 178.4 | 177.3 | 0 | 106.1 | S339 | K337-S339 PolarHBondContact O-N 3.3Š| ||
| 338 | C | 52.8 | Low | 45.8 | Very low | 22 Ų | 22 | 85.7 Ų | 85.7 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | trans | -69 | 105.6 | -179.5 | 174.4 | 0 | 0 | 0 | 0 | 105.3 | A336 F340 C341 C382 C383 | A336-C338 PolarHBondContact O-N 2.89Å; C338-F340 PolarHBondContact O-N 3.04Å; C338-C341 HydrophobicContact CB-CB 3.77Å; C338-C341 WeakPolarHBondContact CB-SG 3.3Å; C338-C341 WeakPolarHBondContact SG-CB 3.31Å; C338-C341 PolarHBondContact SG-N 2.8Å; C338-C341 CovalentContact SG-SG 2.08Å; C338-C341 PolarHBondContact SG-SG 2.84Å; C338-C382 PolarHBondContact SG-SG 2.96Å; C338-C383 HydrophobicContact CB-CB 4.06Å; C338-C383 WeakPolarHBondContact CB-SG 3.35Å | ||
| 339 | S | 52.3 | Low | 46.9 | Very low | 94 Ų | 94 | 83 Ų | 83 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -61.5 | -29 | 173.4 | 43.8 | 0 | 0 | 0 | 0 | 111 | K337 | K337-S339 PolarHBondContact O-N 3.3Š|
| 340 | F | 52.6 | Low | 47.8 | Very low | 82 Ų | 82 | 76 Ų | 76 | 36% | 0.36 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -80.4 | -32.7 | -176.4 | -56.3 | -77.4 | 0 | 0 | 0 | 113.9 | C338 G342 Y408 | C338-F340 PolarHBondContact O-N 3.04Å; F340-G342 PolarHBondContact O-N 3.39Å; F340-Y408 HydrophobicContact CB-CD1 4.46Å; F340-Y408 WeakPolarHBondContact O-CD1 3.07Å; F340-Y408 WeakPolarHBondContact O-CE1 3.37Å |
| 341 | C | 57.7 | Low | 48.9 | Very low | 10 Ų | 10 | 78.7 Ų | 78.7 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -86.2 | 54.5 | -176.3 | -41.6 | 0 | 0 | 0 | 0 | 109.5 | C338 P381 C382 C383 | C338-C341 HydrophobicContact CB-CB 3.77Å; C338-C341 WeakPolarHBondContact CB-SG 3.3Å; C338-C341 WeakPolarHBondContact SG-CB 3.31Å; C338-C341 PolarHBondContact SG-N 2.8Å; C338-C341 CovalentContact SG-SG 2.08Å; C338-C341 PolarHBondContact SG-SG 2.84Å; C341-P381 HydrophobicContact CB-CB 4.22Å; C341-C382 PolarHBondContact SG-SG 2.75Å; C341-C383 HydrophobicContact CB-CB 3.93Å |
| 342 | G | 54.2 | Low | 49.7 | Very low | 32 Ų | 32 | 75.1 Ų | 75.1 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | trans | -65.1 | 160.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F340 E344 M345 | F340-G342 PolarHBondContact O-N 3.39Å; G342-E344 PolarHBondContact O-N 3.08Å; G342-M345 PolarHBondContact O-N 2.91Å; G342-M345 VanDerWaalsContact O-N 3.08Å | ||
| 343 | V | 54 | Low | 50.4 | Low | 97 Ų | 97 | 72.8 Ų | 72.8 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -52.2 | -28.3 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | I346 N347 | V343-I346 WeakPolarHBondContact O-CB 3.41Å; V343-I346 PolarHBondContact O-N 3.23Å; V343-N347 VanDerWaalsContact O-CG 3.29Å; V343-N347 PolarHBondContact O-N 3.27Å |
| 344 | E | 57.2 | Low | 51.1 | Low | 96 Ų | 96 | 71.3 Ų | 71.3 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.6 | -65.7 | -177.6 | 172.1 | 0 | 0 | 113.8 | G342 I346 N347 Y348 Y402 | G342-E344 PolarHBondContact O-N 3.08Å; E344-I346 PolarHBondContact O-N 3.22Å; E344-N347 PolarHBondContact O-N 2.82Å; E344-Y348 PolarHBondContact O-N 3.12Å; E344-Y402 VanDerWaalsContact OE1-CD2 3.28Å; E344-Y402 WeakPolarHBondContact OE1-CD2 3.21Å |
| 345 | M | 56 | Low | 52.4 | Low | 11 Ų | 11 | 67.5 Ų | 67.5 | 5% | 0.054 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 177.2 | -163.4 | -179.2 | -163.3 | 0 | 0 | 110.5 | G342 L349 P379 P381 Y408 | G342-M345 PolarHBondContact O-N 2.91Å; G342-M345 VanDerWaalsContact O-N 3.08Å; M345-L349 WeakPolarHBondContact O-CD1 3.35Å; M345-L349 WeakPolarHBondContact O-CG 3.23Å; M345-L349 PolarHBondContact O-N 3.23Å; M345-P379 HydrophobicContact CE-CG 4.47Å; M345-P379 WeakPolarHBondContact CE-O 3.39Å; M345-P381 HydrophobicContact CE-CG 4.48Å; M345-P381 HydrophobicContact CG-CG 4.2Å; M345-P381 HydrophobicContact SD-CB 4.05Å; M345-P381 HydrophobicContact SD-CG 3.78Å; M345-Y408 HydrophobicContact CB-CE1 4.33Å; M345-Y408 HydrophobicContact CE-CD1 4.13Å; M345-Y408 HydrophobicContact CE-CD2 4.24Å; M345-Y408 HydrophobicContact CE-CE1 4.39Å; M345-Y408 HydrophobicContact CE-CG 4.04Å; M345-Y408 HydrophobicContact CG-CE1 4.31Å; M345-Y408 HydrophobicContact SD-CD1 3.73Å; M345-Y408 HydrophobicContact SD-CE1 3.71Å; M345-Y408 HydrophobicContact SD-CG 4.26Å |
| 346 | I | 55.6 | Low | 53.6 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 16% | 0.164 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 173.8 | -47.1 | 165.4 | 0 | 0 | 0 | 110.8 | V343 E344 Y348 L349 G350 F387 | V343-I346 WeakPolarHBondContact O-CB 3.41Å; V343-I346 PolarHBondContact O-N 3.23Å; E344-I346 PolarHBondContact O-N 3.22Å; I346-Y348 PolarHBondContact O-N 2.98Å; I346-L349 CarbonylContact O-C 3.47Å; I346-L349 PolarHBondContact O-N 3.36Å; I346-L349 VanDerWaalsContact O-N 3.14Å; I346-G350 WeakPolarHBondContact O-CA 3.3Å; I346-G350 PolarHBondContact O-N 2.81Å; I346-F387 HydrophobicContact CD1-CD1 3.3Å; I346-F387 HydrophobicContact CD1-CD2 3.79Å; I346-F387 HydrophobicContact CD1-CE1 3.05Å; I346-F387 HydrophobicContact CD1-CE2 3.57Å; I346-F387 HydrophobicContact CD1-CG 3.67Å; I346-F387 HydrophobicContact CD1-CZ 3.2Å; I346-F387 HydrophobicContact CG1-CD1 4.35Å; I346-F387 HydrophobicContact CG1-CD2 3.97Å; I346-F387 HydrophobicContact CG1-CE1 4.13Å; I346-F387 HydrophobicContact CG1-CE2 3.72Å; I346-F387 HydrophobicContact CG1-CG 4.28Å; I346-F387 HydrophobicContact CG1-CZ 3.81Å |
| 347 | N | 57.2 | Low | 54.7 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.6 | -75.4 | -17.9 | 0 | 0 | 0 | 110 | V343 E344 G350 T351 | V343-N347 VanDerWaalsContact O-CG 3.29Å; V343-N347 PolarHBondContact O-N 3.27Å; E344-N347 PolarHBondContact O-N 2.82Å; N347-G350 PolarHBondContact O-N 3.06Å; N347-T351 WeakPolarHBondContact O-CG2 3.36Å; N347-T351 PolarHBondContact O-N 2.84Å |
| 348 | Y | 55.6 | Low | 55.7 | Low | 122 Ų | 122 | 68.1 Ų | 68.1 | 48% | 0.478 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.7 | -51.1 | 171.7 | -179.2 | -100.4 | 0 | 0 | 0 | 111.4 | E344 I346 G350 T351 L404 | E344-Y348 PolarHBondContact O-N 3.12Å; I346-Y348 PolarHBondContact O-N 2.98Å; Y348-G350 PolarHBondContact O-N 2.82Å; Y348-T351 PolarHBondContact O-N 2.92Å; Y348-T351 PolarHBondContact O-OG1 3.27Å; Y348-L404 HydrophobicContact CD2-CD1 4.41Å |
| 349 | L | 54.4 | Low | 56.5 | Low | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 178.8 | -66.9 | 166.6 | 0 | 0 | 0 | 113.1 | M345 I346 T351 T352 I359 P381 | M345-L349 WeakPolarHBondContact O-CD1 3.35Å; M345-L349 WeakPolarHBondContact O-CG 3.23Å; M345-L349 PolarHBondContact O-N 3.23Å; I346-L349 CarbonylContact O-C 3.47Å; I346-L349 PolarHBondContact O-N 3.36Å; I346-L349 VanDerWaalsContact O-N 3.14Å; L349-T351 VanDerWaalsContact C-N 3.33Å; L349-T352 PolarHBondContact O-N 3.29Å; L349-T352 PolarHBondContact O-OG1 2.89Å; L349-I359 HydrophobicContact CB-CD1 3.91Å; L349-I359 HydrophobicContact CD1-CD1 4.17Å; L349-I359 HydrophobicContact CD2-CD1 3.84Å; L349-I359 HydrophobicContact CG-CD1 4.18Å; L349-P381 HydrophobicContact CD1-CG 3.45Å; L349-P381 VanDerWaalsContact CD1-CG 3.45Å |
| 350 | G | 52.4 | Low | 57.3 | Low | 49 Ų | 49 | 64.9 Ų | 64.9 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.9 | -17.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I346 N347 Y348 T352 | I346-G350 WeakPolarHBondContact O-CA 3.3Å; I346-G350 PolarHBondContact O-N 2.81Å; N347-G350 PolarHBondContact O-N 3.06Å; Y348-G350 PolarHBondContact O-N 2.82Å; G350-T352 PolarHBondContact O-N 2.95Å |
| 351 | T | 50.8 | Low | 58.5 | Low | 115 Ų | 115 | 61.9 Ų | 61.9 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.9 | 170.6 | 63 | 0 | 0 | 0 | 0 | 112.7 | N347 Y348 L349 | N347-T351 WeakPolarHBondContact O-CG2 3.36Å; N347-T351 PolarHBondContact O-N 2.84Å; Y348-T351 PolarHBondContact O-N 2.92Å; Y348-T351 PolarHBondContact O-OG1 3.27Å; L349-T351 VanDerWaalsContact C-N 3.33Å |
| 352 | T | 49.2 | Very low | 59.3 | Low | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -83.2 | 116.6 | 168.4 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | L349 G350 G354 G355 | L349-T352 PolarHBondContact O-N 3.29Å; L349-T352 PolarHBondContact O-OG1 2.89Å; G350-T352 PolarHBondContact O-N 2.95Å; T352-G354 PolarHBondContact O-N 3.26Å; T352-G355 WeakPolarHBondContact O-CA 3.26Å; T352-G355 PolarHBondContact O-N 3.05Å; T352-G355 WeakPolarHBondContact OG1-CA 2.96Å |
| 353 | S | 42 | Very low | 60.2 | Low | 116 Ų | 116 | 63.2 Ų | 63.2 | 81% | 0.811 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 115.3 | 177 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | G355 | S353-G355 VanDerWaalsContact C-N 3.34Š|
| 354 | G | 51.5 | Low | 61.3 | Low | 42 Ų | 42 | 61.1 Ų | 61.1 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 2.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T352 L356 R358 | T352-G354 PolarHBondContact O-N 3.26Å; G354-L356 PolarHBondContact O-N 3Å; G354-R358 VanDerWaalsContact O-CB 3.22Å; G354-R358 WeakPolarHBondContact O-CB 3.45Å; G354-R358 PolarHBondContact O-N 2.77Å |
| 355 | G | 63.7 | Low | 62.2 | Low | 5 Ų | 5 | 57.4 Ų | 57.4 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.6 | -52.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T352 S353 R358 I359 | T352-G355 WeakPolarHBondContact O-CA 3.26Å; T352-G355 PolarHBondContact O-N 3.05Å; T352-G355 WeakPolarHBondContact OG1-CA 2.96Å; S353-G355 VanDerWaalsContact C-N 3.34Å; G355-R358 WeakPolarHBondContact O-CB 2.88Å; G355-R358 PolarHBondContact O-N 3.4Å; G355-I359 WeakPolarHBondContact O-CB 3.43Å; G355-I359 WeakPolarHBondContact O-CD1 3.27Å; G355-I359 WeakPolarHBondContact O-CG1 3.33Å; G355-I359 PolarHBondContact O-N 3.29Å |
| 356 | L | 65 | Low | 62.9 | Low | 54 Ų | 54 | 57.6 Ų | 57.6 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | -176 | -171.8 | 67 | 0 | 0 | 0 | 113.1 | G354 R358 I359 L360 L384 | G354-L356 PolarHBondContact O-N 3Å; L356-R358 VanDerWaalsContact C-N 3.25Å; L356-R358 PolarHBondContact O-N 3.33Å; L356-I359 PolarHBondContact O-N 2.92Å; L356-L360 HydrophobicContact CG-CD1 4.34Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.22Å; L356-L360 PolarHBondContact O-N 2.93Å; L356-L384 HydrophobicContact CD1-CD1 3.67Å; L356-L384 HydrophobicContact CD1-CG 4.44Å |
| 357 | F | 65.6 | Low | 63.7 | Low | 159 Ų | 159 | 56.1 Ų | 56.1 | 70% | 0.697 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.2 | -37.7 | 177.8 | -75.7 | -68.7 | 0 | 0 | 0 | 112.1 | W361 | F357-W361 WeakPolarHBondContact O-CB 3.32Å; F357-W361 PolarHBondContact O-N 2.73Å |
| 358 | R | 69.7 | Low | 64.1 | Low | 87 Ų | 87 | 53.4 Ų | 53.4 | 33% | 0.328 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -49.9 | 174.3 | 179.4 | 175 | 173.7 | 164.5 | 5.3 | 111.1 | G354 G355 L356 L360 W361 E362 C369 P550 | G354-R358 VanDerWaalsContact O-CB 3.22Å; G354-R358 WeakPolarHBondContact O-CB 3.45Å; G354-R358 PolarHBondContact O-N 2.77Å; G355-R358 WeakPolarHBondContact O-CB 2.88Å; G355-R358 PolarHBondContact O-N 3.4Å; L356-R358 VanDerWaalsContact C-N 3.25Å; L356-R358 PolarHBondContact O-N 3.33Å; R358-L360 VanDerWaalsContact C-N 3.25Å; R358-L360 PolarHBondContact O-N 3.48Å; R358-W361 WeakPolarHBondContact O-CB 3.47Å; R358-W361 PolarHBondContact O-N 3.42Å; R358-E362 HydrophobicContact CG-CG 4.12Å; R358-E362 IonicContact CZ-OE1 3.45Å; R358-E362 IonicContact NE-OE1 2.65Å; R358-E362 PolarHBondContact NE-OE1 2.94Å; R358-E362 IonicContact NH2-OE1 3.27Å; R358-E362 PolarHBondContact NH2-OE1 2.78Å; R358-E362 WeakPolarHBondContact O-CB 3.14Å; R358-E362 WeakPolarHBondContact O-CG 3.18Å; R358-E362 PolarHBondContact O-N 3.28Å; R358-C369 PolarHBondContact NH2-O 3.32Å; R358-P550 HydrophobicContact CB-CG 4.42Å |
| 359 | I | 69.6 | Low | 64.1 | Low | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 177.8 | -63.9 | 160.4 | 0 | 0 | 0 | 109.8 | L349 G355 L356 E362 E363 R380 L384 | L349-I359 HydrophobicContact CB-CD1 3.91Å; L349-I359 HydrophobicContact CD1-CD1 4.17Å; L349-I359 HydrophobicContact CD2-CD1 3.84Å; L349-I359 HydrophobicContact CG-CD1 4.18Å; G355-I359 WeakPolarHBondContact O-CB 3.43Å; G355-I359 WeakPolarHBondContact O-CD1 3.27Å; G355-I359 WeakPolarHBondContact O-CG1 3.33Å; G355-I359 PolarHBondContact O-N 3.29Å; L356-I359 PolarHBondContact O-N 2.92Å; I359-E362 PolarHBondContact O-N 2.74Å; I359-E363 PolarHBondContact O-N 2.82Å; I359-R380 VanDerWaalsContact CG2-CZ 3.49Å; I359-R380 PolarHBondContact O-NH1 3.29Å; I359-L384 HydrophobicContact CB-CD2 4.14Å; I359-L384 HydrophobicContact CG2-CD1 3.96Å; I359-L384 HydrophobicContact CG2-CD2 3.2Å; I359-L384 HydrophobicContact CG2-CG 4.23Å |
| 360 | L | 70 | Confident | 63.9 | Low | 35 Ų | 35 | 49.9 Ų | 49.9 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.9 | -69.7 | 171.6 | 0 | 0 | 0 | 112.7 | L356 R358 E362 E363 E364 L384 I388 | L356-L360 HydrophobicContact CG-CD1 4.34Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.22Å; L356-L360 PolarHBondContact O-N 2.93Å; R358-L360 VanDerWaalsContact C-N 3.25Å; R358-L360 PolarHBondContact O-N 3.48Å; L360-E362 VanDerWaalsContact C-N 3.29Å; L360-E362 PolarHBondContact O-N 3.03Å; L360-E363 PolarHBondContact O-N 3.06Å; L360-E364 WeakPolarHBondContact O-CB 3.24Å; L360-E364 PolarHBondContact O-N 3.12Å; L360-L384 HydrophobicContact CD2-CD2 3.79Å; L360-L384 HydrophobicContact CD2-CG 4.11Å; L360-L384 HydrophobicContact CG-CD2 4.36Å; L360-I388 HydrophobicContact CD1-CD1 4.49Å; L360-I388 HydrophobicContact CD1-CG1 3.93Å; L360-I388 HydrophobicContact CD2-CD1 3.44Å; L360-I388 VanDerWaalsContact CD2-CD1 3.44Å; L360-I388 HydrophobicContact CD2-CG1 3.47Å; L360-I388 VanDerWaalsContact CD2-CG1 3.47Å; L360-I388 HydrophobicContact CG-CG1 4.36Å |
| 361 | W | 77.1 | Confident | 63.6 | Low | 19 Ų | 19 | 53.9 Ų | 53.9 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.3 | 175.2 | 80.3 | 0 | 0 | 0 | 111.8 | F357 R358 E364 T365 N367 V547 A548 P549 P550 | F357-W361 WeakPolarHBondContact O-CB 3.32Å; F357-W361 PolarHBondContact O-N 2.73Å; R358-W361 WeakPolarHBondContact O-CB 3.47Å; R358-W361 PolarHBondContact O-N 3.42Å; W361-E364 PolarHBondContact O-N 2.98Å; W361-T365 WeakPolarHBondContact O-CB 3.28Å; W361-T365 WeakPolarHBondContact O-CG2 3.43Å; W361-T365 PolarHBondContact O-N 3.45Å; W361-T365 PolarHBondContact O-OG1 2.84Å; W361-N367 HydrophobicContact CH2-CB 3.53Å; W361-N367 HydrophobicContact CZ2-CB 4.08Å; W361-N367 HydrophobicContact CZ3-CB 3.99Å; W361-N367 WeakPolarHBondContact CZ3-O 3.14Å; W361-V547 PolarHBondContact NE1-O 3.01Å; W361-A548 PolarHBondContact NE1-O 2.69Å; W361-P549 HydrophobicContact CD2-CB 4.35Å; W361-P549 VanDerWaalsContact CE2-CA 3.43Å; W361-P549 HydrophobicContact CE3-CB 4.46Å; W361-P549 HydrophobicContact CH2-CB 3.83Å; W361-P549 HydrophobicContact CZ2-CB 3.66Å; W361-P549 HydrophobicContact CZ2-CG 4.26Å; W361-P549 HydrophobicContact CZ3-CB 4.23Å; W361-P550 HydrophobicContact CB-CG 4.27Å; W361-P550 HydrophobicContact CG-CG 4.47Å |
| 362 | E | 75.1 | Confident | 63.6 | Low | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.1 | -30.7 | 179.2 | -64.6 | 175.6 | 154.9 | 0 | 0 | 112.2 | R358 I359 L360 G366 N367 W368 R380 | R358-E362 HydrophobicContact CG-CG 4.12Å; R358-E362 IonicContact CZ-OE1 3.45Å; R358-E362 IonicContact NE-OE1 2.65Å; R358-E362 PolarHBondContact NE-OE1 2.94Å; R358-E362 IonicContact NH2-OE1 3.27Å; R358-E362 PolarHBondContact NH2-OE1 2.78Å; R358-E362 WeakPolarHBondContact O-CB 3.14Å; R358-E362 WeakPolarHBondContact O-CG 3.18Å; R358-E362 PolarHBondContact O-N 3.28Å; I359-E362 PolarHBondContact O-N 2.74Å; L360-E362 VanDerWaalsContact C-N 3.29Å; L360-E362 PolarHBondContact O-N 3.03Å; E362-G366 VanDerWaalsContact O-CA 3.31Å; E362-G366 WeakPolarHBondContact O-CA 3.38Å; E362-G366 PolarHBondContact O-N 2.91Å; E362-N367 VanDerWaalsContact CA-O 3.23Å; E362-N367 WeakPolarHBondContact CA-O 3.44Å; E362-N367 VanDerWaalsContact CB-O 3.27Å; E362-N367 WeakPolarHBondContact CB-O 3.28Å; E362-N367 WeakPolarHBondContact CG-O 3.29Å; E362-W368 HydrophobicContact CB-CG 4.08Å; E362-W368 HydrophobicContact CG-CG 4.35Å; E362-W368 PolarHBondContact O-NE1 2.83Å; E362-R380 VanDerWaalsContact CB-NH2 3.35Å; E362-R380 IonicContact OE2-CZ 2.66Å; E362-R380 IonicContact OE2-NH2 3.56Å; E362-R380 PolarHBondContact OE2-NH2 2.86Å |
| 363 | E | 73.4 | Confident | 64 | Low | 59 Ų | 59 | 53.1 Ų | 53.1 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 171.8 | -175.7 | -178.9 | 169.6 | 0 | 0 | 111.1 | G283 I359 L360 T365 L384 | G283-E363 PolarHBondContact N-OE1 3.41Å; I359-E363 PolarHBondContact O-N 2.82Å; L360-E363 PolarHBondContact O-N 3.06Å; E363-T365 VanDerWaalsContact C-N 3.3Å; E363-T365 PolarHBondContact O-N 3.49Å; E363-L384 VanDerWaalsContact OE2-CD2 3.26Å; E363-L384 WeakPolarHBondContact OE2-CD2 3.41Å |
| 364 | E | 76.5 | Confident | 64.9 | Low | 53 Ų | 53 | 48 Ų | 48 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -31.9 | -177.8 | -164.9 | 80.3 | 174.1 | 0 | 0 | 112.5 | H281 L360 W361 Y480 N481 | H281-E364 IonicContact CE1-OE1 3.08Å; H281-E364 PolarHBondContact CE1-OE1 3.04Å; H281-E364 VanDerWaalsContact CE1-OE1 3.3Å; H281-E364 IonicContact CE1-OE2 2.9Å; H281-E364 PolarHBondContact CE1-OE2 3.35Å; H281-E364 IonicContact ND1-OE2 3.44Å; L360-E364 WeakPolarHBondContact O-CB 3.24Å; L360-E364 PolarHBondContact O-N 3.12Å; W361-E364 PolarHBondContact O-N 2.98Å; E364-Y480 HydrophobicContact CG-CD2 4.38Å; E364-Y480 WeakPolarHBondContact OE1-CA 3.15Å; E364-Y480 WeakPolarHBondContact OE1-CD2 3.31Å; E364-N481 PolarHBondContact OE1-N 3.01Å |
| 365 | T | 75 | Confident | 65.2 | Low | 18 Ų | 18 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -107.5 | -14.6 | -173.8 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | W361 E363 N367 V547 | W361-T365 WeakPolarHBondContact O-CB 3.28Å; W361-T365 WeakPolarHBondContact O-CG2 3.43Å; W361-T365 PolarHBondContact O-N 3.45Å; W361-T365 PolarHBondContact O-OG1 2.84Å; E363-T365 VanDerWaalsContact C-N 3.3Å; E363-T365 PolarHBondContact O-N 3.49Å; T365-N367 PolarHBondContact O-N 3.23Å; T365-N367 VanDerWaalsContact O-N 3.09Å; T365-N367 WeakPolarHBondContact OG1-CB 3.46Å; T365-N367 PolarHBondContact OG1-N 3.27Å; T365-V547 HydrophobicContact CG2-CB 3.7Å; T365-V547 HydrophobicContact CG2-CG2 3.97Å |
| 366 | G | 71.8 | Confident | 64.9 | Low | 14 Ų | 14 | 50.4 Ų | 50.4 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | trans | 67.7 | -3.2 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | E362 | E362-G366 VanDerWaalsContact O-CA 3.31Å; E362-G366 WeakPolarHBondContact O-CA 3.38Å; E362-G366 PolarHBondContact O-N 2.91Å | ||
| 367 | N | 72.6 | Confident | 64.5 | Low | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | trans | -83.2 | 120.4 | 179.1 | -76.2 | -51.5 | 0 | 0 | 0 | 110.6 | C21 L22 E23 W361 E362 T365 | C21-N367 VanDerWaalsContact O-CG 3.3Å; C21-N367 PolarHBondContact O-ND2 2.85Å; C21-N367 PolarHBondContact O-OD1 3.34Å; L22-N367 WeakPolarHBondContact CA-OD1 3.33Å; E23-N367 VanDerWaalsContact N-CG 3.28Å; E23-N367 PolarHBondContact N-OD1 3.3Å; W361-N367 HydrophobicContact CH2-CB 3.53Å; W361-N367 HydrophobicContact CZ2-CB 4.08Å; W361-N367 HydrophobicContact CZ3-CB 3.99Å; W361-N367 WeakPolarHBondContact CZ3-O 3.14Å; E362-N367 VanDerWaalsContact CA-O 3.23Å; E362-N367 WeakPolarHBondContact CA-O 3.44Å; E362-N367 VanDerWaalsContact CB-O 3.27Å; E362-N367 WeakPolarHBondContact CB-O 3.28Å; E362-N367 WeakPolarHBondContact CG-O 3.29Å; T365-N367 PolarHBondContact O-N 3.23Å; T365-N367 VanDerWaalsContact O-N 3.09Å; T365-N367 WeakPolarHBondContact OG1-CB 3.46Å; T365-N367 PolarHBondContact OG1-N 3.27Å | ||
| 368 | W | 65.3 | Low | 64.1 | Low | 33 Ų | 33 | 43.2 Ų | 43.2 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | trans | -121.8 | 128.2 | 171.1 | -59.5 | 31 | 0 | 0 | 0 | 108.7 | R103 E362 R380 | R103-W368 HydrophobicContact CG-CB 4.47Å; R103-W368 HydrophobicContact CG-CD2 3.68Å; R103-W368 HydrophobicContact CG-CE3 3.74Å; R103-W368 HydrophobicContact CG-CG 4.04Å; R103-W368 HydrophobicContact CG-CH2 4.39Å; R103-W368 HydrophobicContact CG-CZ2 4.35Å; R103-W368 HydrophobicContact CG-CZ3 4.13Å; R103-W368 VanDerWaalsContact NE-CH2 3.26Å; E362-W368 HydrophobicContact CB-CG 4.08Å; E362-W368 HydrophobicContact CG-CG 4.35Å; E362-W368 PolarHBondContact O-NE1 2.83Å; W368-R380 VanDerWaalsContact CD2-NH2 3.3Å; W368-R380 HydrophobicContact CH2-CG 3.79Å; W368-R380 HydrophobicContact CZ2-CG 4.16Å | ||
| 369 | C | 54.6 | Low | 63.6 | Low | 47 Ų | 47 | 41.6 Ų | 41.6 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | trans | -110.6 | 32.8 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | E23 R358 | E23-C369 PolarHBondContact OE1-SG 3.36Å; E23-C369 VanDerWaalsContact OE1-SG 3.33Å; R358-C369 PolarHBondContact NH2-O 3.32Å | ||
| 370 | G | 51.7 | Low | 63.4 | Low | 35 Ų | 35 | 42.4 Ų | 42.4 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | trans | -62.3 | 139.1 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | E372 | G370-E372 PolarHBondContact O-N 3.46Š| ||
| 371 | P | 45.6 | Very low | 63 | Low | 134 Ų | 134 | 41.1 Ų | 41.1 | 87% | 0.87 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -67.8 | -16.7 | 171.4 | 29.2 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 372 | E | 51 | Low | 62.3 | Low | 103 Ų | 103 | 40.6 Ų | 40.6 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -70.3 | 146.4 | 178.7 | -66.5 | -178.8 | 178.9 | 0 | 0 | 112 | G370 W374 S377 P378 | G370-E372 PolarHBondContact O-N 3.46Å; E372-W374 PolarHBondContact O-N 3.44Å; E372-W374 VanDerWaalsContact O-N 3.13Å; E372-S377 WeakPolarHBondContact CB-OG 3.28Å; E372-S377 WeakPolarHBondContact OE2-CA 3.36Å; E372-S377 WeakPolarHBondContact OE2-CB 3.46Å; E372-S377 PolarHBondContact OE2-OG 2.89Å; E372-P378 WeakPolarHBondContact OE2-CD 3.39Å |
| 373 | F | 56.6 | Low | 61.8 | Low | 77 Ų | 77 | 40.1 Ų | 40.1 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | trans | -65.5 | 117.7 | 169.8 | -166.1 | -109.2 | 0 | 0 | 0 | 108.4 | W70 A375 T376 S377 | W70-F373 AromaticContact CH2-CE1 3.61Å; W70-F373 HydrophobicContact CH2-CE1 3.61Å; W70-F373 AromaticContact CH2-CZ 3.29Å; W70-F373 HydrophobicContact CH2-CZ 3.29Å; W70-F373 HydrophobicContact CZ2-CE1 4.07Å; W70-F373 HydrophobicContact CZ2-CZ 4.04Å; W70-F373 AromaticContact CZ3-CZ 3.93Å; W70-F373 HydrophobicContact CZ3-CZ 3.93Å; F373-A375 HydrophobicContact CD1-CB 3.52Å; F373-A375 HydrophobicContact CE1-CB 3.32Å; F373-A375 HydrophobicContact CZ-CB 4.45Å; F373-A375 PolarHBondContact O-N 3.06Å; F373-T376 WeakPolarHBondContact CB-OG1 3.23Å; F373-T376 HydrophobicContact CD1-CG2 4.31Å; F373-T376 CarbonylContact O-C 3.54Å; F373-T376 WeakPolarHBondContact O-CA 3.25Å; F373-T376 PolarHBondContact O-N 3.48Å; F373-T376 PolarHBondContact O-OG1 3.31Å; F373-S377 PolarHBondContact O-N 2.78Å | ||
| 374 | W | 61.1 | Low | 61.3 | Low | 9 Ų | 9 | 37.5 Ų | 37.5 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -30 | 177.8 | 65.2 | -76.6 | 0 | 0 | 0 | 114.3 | W70 W102 R103 R105 W107 M124 W212 E372 T376 | W70-W374 HydrophobicContact CD2-CZ2 4.17Å; W70-W374 AromaticContact CE2-CH2 3.67Å; W70-W374 AromaticContact CE2-CZ2 3.45Å; W70-W374 VanDerWaalsContact CE2-CZ2 3.45Å; W70-W374 HydrophobicContact CH2-CZ2 4.08Å; W70-W374 AromaticContact CZ2-CH2 3.84Å; W70-W374 HydrophobicContact CZ2-CH2 3.84Å; W70-W374 AromaticContact CZ2-CZ2 3.39Å; W70-W374 HydrophobicContact CZ2-CZ2 3.39Å; W70-W374 AromaticContact NE1-CH2 3.41Å; W70-W374 AromaticContact NE1-CZ2 3.7Å; W102-W374 HydrophobicContact CE3-CE3 4.44Å; W102-W374 AromaticContact CH2-CE3 3.73Å; W102-W374 HydrophobicContact CH2-CE3 3.73Å; W102-W374 HydrophobicContact CH2-CZ3 4.2Å; W102-W374 HydrophobicContact CZ3-CD2 4.43Å; W102-W374 AromaticContact CZ3-CE3 3.34Å; W102-W374 HydrophobicContact CZ3-CE3 3.34Å; W102-W374 AromaticContact CZ3-CZ3 3.64Å; W102-W374 HydrophobicContact CZ3-CZ3 3.64Å; R103-W374 HydrophobicContact CB-CB 3.7Å; R103-W374 HydrophobicContact CG-CB 4.23Å; R103-W374 PolarHBondContact NH1-O 3.13Å; R105-W374 VanDerWaalsContact CZ-CD1 3.49Å; R105-W374 VanDerWaalsContact CZ-NE1 3.32Å; R105-W374 VanDerWaalsContact NH1-CD2 3.28Å; R105-W374 VanDerWaalsContact NH2-NE1 3.13Å; W107-W374 AromaticContact CH2-CH2 3.68Å; W107-W374 HydrophobicContact CH2-CH2 3.68Å; W107-W374 AromaticContact CH2-CZ3 3.8Å; W107-W374 HydrophobicContact CH2-CZ3 3.8Å; W107-W374 HydrophobicContact CZ2-CE3 4.48Å; W107-W374 HydrophobicContact CZ2-CH2 4.2Å; W107-W374 HydrophobicContact CZ2-CZ3 4Å; M124-W374 HydrophobicContact SD-CH2 4.42Å; M124-W374 HydrophobicContact SD-CZ2 4.17Å; W212-W374 AromaticContact CH2-CH2 3.5Å; W212-W374 HydrophobicContact CH2-CH2 3.5Å; W212-W374 VanDerWaalsContact CH2-CH2 3.5Å; W212-W374 AromaticContact CH2-CZ3 3.53Å; W212-W374 HydrophobicContact CH2-CZ3 3.53Å; W212-W374 AromaticContact CZ2-CH2 3.28Å; W212-W374 HydrophobicContact CZ2-CH2 3.28Å; W212-W374 AromaticContact CZ2-CZ3 3.22Å; W212-W374 HydrophobicContact CZ2-CZ3 3.22Å; E372-W374 PolarHBondContact O-N 3.44Å; E372-W374 VanDerWaalsContact O-N 3.13Å; W374-T376 VanDerWaalsContact C-N 3.26Å; W374-T376 PolarHBondContact O-N 3.31Å |
| 375 | A | 58.7 | Low | 60.4 | Low | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W70 K75 F373 | W70-A375 HydrophobicContact CZ2-CB 4.39Å; K75-A375 HydrophobicContact CB-CB 4.25Å; K75-A375 HydrophobicContact CD-CB 3.77Å; K75-A375 WeakPolarHBondContact CE-O 3.37Å; K75-A375 HydrophobicContact CG-CB 3.97Å; K75-A375 PolarHBondContact NZ-O 3.49Å; F373-A375 HydrophobicContact CD1-CB 3.52Å; F373-A375 HydrophobicContact CE1-CB 3.32Å; F373-A375 HydrophobicContact CZ-CB 4.45Å; F373-A375 PolarHBondContact O-N 3.06Å |
| 376 | T | 56.8 | Low | 59.7 | Low | 94 Ų | 94 | 39.9 Ų | 39.9 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -6.2 | 179 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | F373 W374 | F373-T376 WeakPolarHBondContact CB-OG1 3.23Å; F373-T376 HydrophobicContact CD1-CG2 4.31Å; F373-T376 CarbonylContact O-C 3.54Å; F373-T376 WeakPolarHBondContact O-CA 3.25Å; F373-T376 PolarHBondContact O-N 3.48Å; F373-T376 PolarHBondContact O-OG1 3.31Å; W374-T376 VanDerWaalsContact C-N 3.26Å; W374-T376 PolarHBondContact O-N 3.31Å |
| 377 | S | 56.5 | Low | 58.8 | Low | 11 Ų | 11 | 41 Ų | 41 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -62.6 | 138.1 | 176.8 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | R103 E372 F373 | R103-S377 PolarHBondContact NH1-O 3.31Å; E372-S377 WeakPolarHBondContact CB-OG 3.28Å; E372-S377 WeakPolarHBondContact OE2-CA 3.36Å; E372-S377 WeakPolarHBondContact OE2-CB 3.46Å; E372-S377 PolarHBondContact OE2-OG 2.89Å; F373-S377 PolarHBondContact O-N 2.78Å |
| 378 | P | 57.3 | Low | 57.9 | Low | 52 Ų | 52 | 44.5 Ų | 44.5 | 34% | 0.338 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 151.5 | -175.8 | 26.2 | -32.7 | 0 | 0 | 0 | 111.4 | R103 E372 | R103-P378 PolarHBondContact NH2-O 2.74Å; E372-P378 WeakPolarHBondContact OE2-CD 3.39Å |
| 379 | P | 59.2 | Low | 57 | Low | 52 Ų | 52 | 50 Ų | 50 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -64 | 145.4 | 178.2 | 26.7 | -33.5 | 0 | 0 | 0 | 110.9 | D185 M345 | D185-P379 WeakPolarHBondContact OD2-CA 3.44Å; M345-P379 HydrophobicContact CE-CG 4.47Å; M345-P379 WeakPolarHBondContact CE-O 3.39Å |
| 380 | R | 65 | Low | 56.3 | Low | 31 Ų | 31 | 50.4 Ų | 50.4 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 150.4 | 176.4 | -73.2 | -167.5 | 175.7 | -163.4 | 1 | 113 | D185 I359 E362 W368 C382 | D185-R380 PolarHBondContact OD2-N 2.96Å; I359-R380 VanDerWaalsContact CG2-CZ 3.49Å; I359-R380 PolarHBondContact O-NH1 3.29Å; E362-R380 VanDerWaalsContact CB-NH2 3.35Å; E362-R380 IonicContact OE2-CZ 2.66Å; E362-R380 IonicContact OE2-NH2 3.56Å; E362-R380 PolarHBondContact OE2-NH2 2.86Å; W368-R380 VanDerWaalsContact CD2-NH2 3.3Å; W368-R380 HydrophobicContact CH2-CG 3.79Å; W368-R380 HydrophobicContact CZ2-CG 4.16Å; R380-C382 PolarHBondContact O-N 2.84Å |
| 381 | P | 62.9 | Low | 55.6 | Low | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 121.1 | 171.2 | -11.7 | 24 | 0 | 0 | 0 | 110.1 | C341 M345 L349 C383 L384 | C341-P381 HydrophobicContact CB-CB 4.22Å; M345-P381 HydrophobicContact CE-CG 4.48Å; M345-P381 HydrophobicContact CG-CG 4.2Å; M345-P381 HydrophobicContact SD-CB 4.05Å; M345-P381 HydrophobicContact SD-CG 3.78Å; L349-P381 HydrophobicContact CD1-CG 3.45Å; L349-P381 VanDerWaalsContact CD1-CG 3.45Å; P381-C383 PolarHBondContact O-N 2.79Å; P381-L384 HydrophobicContact CG-CD1 4.45Å; P381-L384 PolarHBondContact O-N 3.38Å |
| 382 | C | 61.9 | Low | 55.2 | Low | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.3 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | E184 C338 C341 R380 R411 | E184-C382 VanDerWaalsContact CD-CB 3.45Å; E184-C382 HydrophobicContact CG-CB 4.4Å; E184-C382 WeakPolarHBondContact OE1-CA 3.47Å; E184-C382 WeakPolarHBondContact OE1-CB 3.23Å; C338-C382 PolarHBondContact SG-SG 2.96Å; C341-C382 PolarHBondContact SG-SG 2.75Å; R380-C382 PolarHBondContact O-N 2.84Å; C382-R411 PolarHBondContact O-NH2 3.37Å; C382-R411 PolarHBondContact SG-NE 3.33Å |
| 383 | C | 63.4 | Low | 54.3 | Low | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 24.7 | 177.3 | -74.3 | 0 | 0 | 0 | 0 | 113 | C338 C341 P381 W385 K386 F387 | C338-C383 HydrophobicContact CB-CB 4.06Å; C338-C383 WeakPolarHBondContact CB-SG 3.35Å; C341-C383 HydrophobicContact CB-CB 3.93Å; P381-C383 PolarHBondContact O-N 2.79Å; C383-W385 PolarHBondContact O-N 3.45Å; C383-W385 VanDerWaalsContact O-N 3.07Å; C383-K386 HydrophobicContact CB-CB 4.48Å; C383-K386 HydrophobicContact CB-CD 3.92Å; C383-K386 HydrophobicContact CB-CG 4.1Å; C383-K386 WeakPolarHBondContact O-CB 3.37Å; C383-K386 PolarHBondContact O-N 2.98Å; C383-F387 WeakPolarHBondContact O-CD2 3.36Å; C383-F387 VanDerWaalsContact O-CE2 3.32Å; C383-F387 WeakPolarHBondContact O-CE2 3.46Å |
| 384 | L | 63.4 | Low | 53.1 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -39.7 | 178.9 | -168.9 | 73.4 | 0 | 0 | 0 | 112.4 | L356 I359 L360 E363 P381 K386 F387 | L356-L384 HydrophobicContact CD1-CD1 3.67Å; L356-L384 HydrophobicContact CD1-CG 4.44Å; I359-L384 HydrophobicContact CB-CD2 4.14Å; I359-L384 HydrophobicContact CG2-CD1 3.96Å; I359-L384 HydrophobicContact CG2-CD2 3.2Å; I359-L384 HydrophobicContact CG2-CG 4.23Å; L360-L384 HydrophobicContact CD2-CD2 3.79Å; L360-L384 HydrophobicContact CD2-CG 4.11Å; L360-L384 HydrophobicContact CG-CD2 4.36Å; E363-L384 VanDerWaalsContact OE2-CD2 3.26Å; E363-L384 WeakPolarHBondContact OE2-CD2 3.41Å; P381-L384 HydrophobicContact CG-CD1 4.45Å; P381-L384 PolarHBondContact O-N 3.38Å; L384-K386 VanDerWaalsContact C-N 3.25Å; L384-K386 PolarHBondContact O-N 3.11Å; L384-F387 WeakPolarHBondContact O-CD2 3.41Å; L384-F387 PolarHBondContact O-N 3.04Å |
| 385 | W | 58.3 | Low | 51.7 | Low | 66 Ų | 66 | 64 Ų | 64 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.1 | 177.7 | 74.6 | -95.9 | 0 | 0 | 0 | 114.4 | Q282 P335 C383 F387 I388 | Q282-W385 HydrophobicContact CB-CB 4.15Å; P335-W385 HydrophobicContact CB-CZ2 4.5Å; C383-W385 PolarHBondContact O-N 3.45Å; C383-W385 VanDerWaalsContact O-N 3.07Å; W385-F387 PolarHBondContact O-N 2.76Å; W385-I388 HydrophobicContact CB-CD1 4.23Å; W385-I388 WeakPolarHBondContact O-CB 3.3Å; W385-I388 WeakPolarHBondContact O-CG1 3.37Å; W385-I388 PolarHBondContact O-N 2.98Å; W385-I388 VanDerWaalsContact O-N 3.14Å |
| 386 | K | 58.9 | Low | 50.4 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -24.8 | 179.9 | -66.7 | -172 | 177.9 | 176.3 | 0 | 111.5 | P335 A336 C383 L384 S390 | P335-K386 PolarHBondContact O-NZ 3.35Å; A336-K386 PolarHBondContact O-NZ 3.36Å; C383-K386 HydrophobicContact CB-CB 4.48Å; C383-K386 HydrophobicContact CB-CD 3.92Å; C383-K386 HydrophobicContact CB-CG 4.1Å; C383-K386 WeakPolarHBondContact O-CB 3.37Å; C383-K386 PolarHBondContact O-N 2.98Å; L384-K386 VanDerWaalsContact C-N 3.25Å; L384-K386 PolarHBondContact O-N 3.11Å; K386-S390 PolarHBondContact O-N 2.78Å |
| 387 | F | 54.5 | Low | 49.3 | Very low | 38 Ų | 38 | 74.1 Ų | 74.1 | 17% | 0.167 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -89.4 | -9.7 | -178.3 | -49.1 | -57.4 | 0 | 0 | 0 | 113.4 | I346 C383 L384 W385 H389 | I346-F387 HydrophobicContact CD1-CD1 3.3Å; I346-F387 HydrophobicContact CD1-CD2 3.79Å; I346-F387 HydrophobicContact CD1-CE1 3.05Å; I346-F387 HydrophobicContact CD1-CE2 3.57Å; I346-F387 HydrophobicContact CD1-CG 3.67Å; I346-F387 HydrophobicContact CD1-CZ 3.2Å; I346-F387 HydrophobicContact CG1-CD1 4.35Å; I346-F387 HydrophobicContact CG1-CD2 3.97Å; I346-F387 HydrophobicContact CG1-CE1 4.13Å; I346-F387 HydrophobicContact CG1-CE2 3.72Å; I346-F387 HydrophobicContact CG1-CG 4.28Å; I346-F387 HydrophobicContact CG1-CZ 3.81Å; C383-F387 WeakPolarHBondContact O-CD2 3.36Å; C383-F387 VanDerWaalsContact O-CE2 3.32Å; C383-F387 WeakPolarHBondContact O-CE2 3.46Å; L384-F387 WeakPolarHBondContact O-CD2 3.41Å; L384-F387 PolarHBondContact O-N 3.04Å; W385-F387 PolarHBondContact O-N 2.76Å; F387-H389 VanDerWaalsContact C-N 3.28Å |
| 388 | I | 52.2 | Low | 48.2 | Very low | 76 Ų | 76 | 78.9 Ų | 78.9 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 171.2 | -56.3 | 173.3 | 0 | 0 | 0 | 110.1 | L360 W385 | L360-I388 HydrophobicContact CD1-CD1 4.49Å; L360-I388 HydrophobicContact CD1-CG1 3.93Å; L360-I388 HydrophobicContact CD2-CD1 3.44Å; L360-I388 VanDerWaalsContact CD2-CD1 3.44Å; L360-I388 HydrophobicContact CD2-CG1 3.47Å; L360-I388 VanDerWaalsContact CD2-CG1 3.47Å; L360-I388 HydrophobicContact CG-CG1 4.36Å; W385-I388 HydrophobicContact CB-CD1 4.23Å; W385-I388 WeakPolarHBondContact O-CB 3.3Å; W385-I388 WeakPolarHBondContact O-CG1 3.37Å; W385-I388 PolarHBondContact O-N 2.98Å; W385-I388 VanDerWaalsContact O-N 3.14Å |
| 389 | H | 48.2 | Very low | 47.1 | Very low | 148 Ų | 148 | 82.2 Ų | 82.2 | 69% | 0.685 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -102 | -14.6 | -174.9 | -70.9 | -63.1 | 0 | 0 | 0 | 114.5 | F387 S391 | F387-H389 VanDerWaalsContact C-N 3.28Å; H389-S391 PolarHBondContact O-N 2.73Å; H389-S391 VanDerWaalsContact O-N 3.11Å |
| 390 | S | 38.4 | Very low | 45.9 | Very low | 55 Ų | 55 | 85.9 Ų | 85.9 | 39% | 0.385 | 45% | 0.45 | S | S | . | . | trans | -75.9 | 104.2 | 174 | 68.9 | 0 | 0 | 0 | 0 | 109.2 | K386 V392 | K386-S390 PolarHBondContact O-N 2.78Å; S390-V392 PolarHBondContact O-N 2.81Å | ||
| 391 | S | 37.1 | Very low | 44.4 | Very low | 84 Ų | 84 | 92.3 Ų | 92.3 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | trans | -50.3 | 109.2 | 156.4 | 49.8 | 0 | 0 | 0 | 0 | 107.1 | H389 E393 | H389-S391 PolarHBondContact O-N 2.73Å; H389-S391 VanDerWaalsContact O-N 3.11Å; S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 2.83Å | ||
| 392 | V | 37.2 | Very low | 43 | Very low | 117 Ų | 117 | 98.8 Ų | 98.8 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | trans | -62.6 | 94.6 | 176.7 | 178 | 0 | 0 | 0 | 0 | 106.7 | S390 N394 | S390-V392 PolarHBondContact O-N 2.81Å; V392-N394 PolarHBondContact O-N 3.18Å | ||
| 393 | E | 33.1 | Very low | 41.7 | Very low | 145 Ų | 145 | 107.9 Ų | 107.9 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | trans | -58 | 112.3 | 157.3 | -78.2 | -172.1 | 167.5 | 0 | 0 | 105.4 | S391 K395 | S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 2.83Å; E393-K395 PolarHBondContact O-N 2.87Å | ||
| 394 | N | 31.9 | Very low | 40.5 | Very low | 157 Ų | 157 | 111.8 Ų | 111.8 | 84% | 0.84 | 57% | 0.57 | S | S | * | * | trans | -60.1 | 74.2 | 172.1 | -82.7 | -29.1 | 0 | 0 | 0 | 109.6 | V392 S396 | V392-N394 PolarHBondContact O-N 3.18Å; N394-S396 PolarHBondContact O-N 3.03Å | ||
| 395 | K | 30.7 | Very low | 39.2 | Very low | 141 Ų | 141 | 115.3 Ų | 115.3 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | trans | -78.5 | 105.8 | 160.6 | -72.8 | -174 | -179.6 | 175.9 | 0 | 106 | E393 Y397 | E393-K395 PolarHBondContact O-N 2.87Å; K395-Y397 VanDerWaalsContact C-N 3.28Å; K395-Y397 HydrophobicContact CB-CD2 3.79Å; K395-Y397 HydrophobicContact CB-CE2 3.82Å; K395-Y397 HydrophobicContact CD-CE2 4.24Å; K395-Y397 PolarHBondContact O-N 3.49Å | ||
| 396 | S | 31.6 | Very low | 38.4 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 87% | 0.867 | 62% | 0.619 | S | S | * | * | trans | -56.2 | 90.9 | 168.5 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | N394 | N394-S396 PolarHBondContact O-N 3.03Š| ||
| 397 | Y | 34.3 | Very low | 37.8 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 73% | 0.725 | 63% | 0.632 | S | S | * | * | trans | -99.8 | 125 | 168.8 | -89.9 | -85.2 | 0 | 0 | 0 | 108.6 | K395 | K395-Y397 VanDerWaalsContact C-N 3.28Å; K395-Y397 HydrophobicContact CB-CD2 3.79Å; K395-Y397 HydrophobicContact CB-CE2 3.82Å; K395-Y397 HydrophobicContact CD-CE2 4.24Å; K395-Y397 PolarHBondContact O-N 3.49Å | ||
| 398 | T | 32.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | trans | -62.8 | 126 | 165.9 | 43.2 | 0 | 0 | 0 | 0 | 108.6 | Q400 | T398-Q400 PolarHBondContact O-N 3.17Š| ||
| 399 | P | 34 | Very low | 37.9 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | trans | -63.5 | 104.2 | 176 | 25 | -30.6 | 0 | 0 | 0 | 108.3 | ||||
| 400 | Q | 33.9 | Very low | 38.9 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | trans | -70 | 128.2 | 163.8 | -76.6 | -90.3 | -1.8 | 0 | 0 | 106.4 | T398 Y402 | T398-Q400 PolarHBondContact O-N 3.17Å; Q400-Y402 HydrophobicContact CB-CD2 3.6Å; Q400-Y402 HydrophobicContact CB-CE2 3.26Å; Q400-Y402 HydrophobicContact CG-CE2 3.97Å; Q400-Y402 PolarHBondContact O-N 3.35Å | ||
| 401 | N | 33.9 | Very low | 40.6 | Very low | 165 Ų | 165 | 114 Ų | 114 | 88% | 0.882 | 60% | 0.598 | S | S | * | * | trans | -68.4 | 71.4 | 175.1 | -78.5 | -31.5 | 0 | 0 | 0 | 109.9 | ||||
| 402 | Y | 34.7 | Very low | 42.7 | Very low | 143 Ų | 143 | 110.1 Ų | 110.1 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -82 | 123.8 | 164.7 | -66.2 | -67.2 | 0 | 0 | 0 | 107.9 | E344 Q400 L404 | E344-Y402 VanDerWaalsContact OE1-CD2 3.28Å; E344-Y402 WeakPolarHBondContact OE1-CD2 3.21Å; Q400-Y402 HydrophobicContact CB-CD2 3.6Å; Q400-Y402 HydrophobicContact CB-CE2 3.26Å; Q400-Y402 HydrophobicContact CG-CE2 3.97Å; Q400-Y402 PolarHBondContact O-N 3.35Å; Y402-L404 PolarHBondContact O-N 3.14Å |
| 403 | K | 33.4 | Very low | 44.6 | Very low | 199 Ų | 199 | 107.6 Ų | 107.6 | 87% | 0.865 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123.3 | 162.9 | -78 | -178.6 | 173.4 | -178.6 | 0 | 106.8 | P405 | K403-P405 WeakPolarHBondContact O-CD 3.43Å; K403-P405 VanDerWaalsContact O-N 3.13Å |
| 404 | L | 37.9 | Very low | 46.8 | Very low | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 120.4 | 172.3 | -98.3 | 82.4 | 0 | 0 | 0 | 108.1 | Y348 Y402 S406 Y408 | Y348-L404 HydrophobicContact CD2-CD1 4.41Å; Y402-L404 PolarHBondContact O-N 3.14Å; L404-S406 PolarHBondContact O-N 2.78Å; L404-Y408 HydrophobicContact CB-CE2 4.21Å; L404-Y408 HydrophobicContact CD2-CE2 3.83Å; L404-Y408 HydrophobicContact CG-CE2 4.12Å |
| 405 | P | 35.8 | Very low | 49.4 | Very low | 79 Ų | 79 | 95.2 Ų | 95.2 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.1 | 172.3 | -20.1 | 30.5 | 0 | 0 | 0 | 109.2 | K403 N407 Y408 | K403-P405 WeakPolarHBondContact O-CD 3.43Å; K403-P405 VanDerWaalsContact O-N 3.13Å; P405-N407 PolarHBondContact O-N 2.77Å; P405-N407 VanDerWaalsContact O-N 3.1Å; P405-Y408 WeakPolarHBondContact O-CD2 3.41Å; P405-Y408 WeakPolarHBondContact O-CE2 3.35Å |
| 406 | S | 43 | Very low | 52.1 | Low | 113 Ų | 113 | 92 Ų | 92 | 79% | 0.79 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -66.5 | -8.9 | 179.7 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | L404 | L404-S406 PolarHBondContact O-N 2.78Š|
| 407 | N | 45.5 | Very low | 54.9 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | trans | -113.4 | 54.1 | -164.3 | -65 | 7 | 0 | 0 | 0 | 112.1 | P405 H409 | P405-N407 PolarHBondContact O-N 2.77Å; P405-N407 VanDerWaalsContact O-N 3.1Å; N407-H409 PolarHBondContact O-N 2.91Å; N407-H409 VanDerWaalsContact O-N 3.09Å | ||
| 408 | Y | 49.5 | Very low | 57.6 | Low | 53 Ų | 53 | 77.5 Ų | 77.5 | 21% | 0.208 | 41% | 0.413 | C | S | . | . | trans | -75.7 | 92.2 | 164.8 | -67.1 | -82.1 | 0 | 0 | 0 | 108.5 | F340 M345 L404 P405 | F340-Y408 HydrophobicContact CB-CD1 4.46Å; F340-Y408 WeakPolarHBondContact O-CD1 3.07Å; F340-Y408 WeakPolarHBondContact O-CE1 3.37Å; M345-Y408 HydrophobicContact CB-CE1 4.33Å; M345-Y408 HydrophobicContact CE-CD1 4.13Å; M345-Y408 HydrophobicContact CE-CD2 4.24Å; M345-Y408 HydrophobicContact CE-CE1 4.39Å; M345-Y408 HydrophobicContact CE-CG 4.04Å; M345-Y408 HydrophobicContact CG-CE1 4.31Å; M345-Y408 HydrophobicContact SD-CD1 3.73Å; M345-Y408 HydrophobicContact SD-CE1 3.71Å; M345-Y408 HydrophobicContact SD-CG 4.26Å; L404-Y408 HydrophobicContact CB-CE2 4.21Å; L404-Y408 HydrophobicContact CD2-CE2 3.83Å; L404-Y408 HydrophobicContact CG-CE2 4.12Å; P405-Y408 WeakPolarHBondContact O-CD2 3.41Å; P405-Y408 WeakPolarHBondContact O-CE2 3.35Å | ||
| 409 | H | 60.3 | Low | 60.4 | Low | 98 Ų | 98 | 72.5 Ų | 72.5 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | trans | -86.2 | 132.4 | 174.7 | -65.7 | -64.1 | 0 | 0 | 0 | 110.4 | N407 | N407-H409 PolarHBondContact O-N 2.91Å; N407-H409 VanDerWaalsContact O-N 3.09Å | ||
| 410 | S | 68.9 | Low | 63.1 | Low | 21 Ų | 21 | 67.1 Ų | 67.1 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | trans | -58.3 | 148.9 | 170.7 | 176.2 | 0 | 0 | 0 | 0 | 110 | E184 W412 S413 | E184-S410 VanDerWaalsContact OE2-CB 3.3Å; E184-S410 WeakPolarHBondContact OE2-CB 3.26Å; E184-S410 PolarHBondContact OE2-OG 2.86Å; S410-W412 PolarHBondContact O-N 3.44Å; S410-W412 PolarHBondContact OG-N 3.01Å; S410-S413 VanDerWaalsContact O-CB 3.26Å; S410-S413 WeakPolarHBondContact O-CB 2.92Å; S410-S413 PolarHBondContact O-N 3.09Å; S410-S413 PolarHBondContact O-OG 2.88Å | ||
| 411 | R | 73.1 | Confident | 65.8 | Low | 28 Ų | 28 | 63.8 Ų | 63.8 | 11% | 0.106 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.2 | -23.8 | 171.2 | -72.9 | 179.4 | -69.8 | 141.6 | 0.4 | 112.4 | G283 P312 C382 S413 | G283-R411 PolarHBondContact O-NH2 3.2Å; P312-R411 HydrophobicContact CB-CB 4.23Å; P312-R411 HydrophobicContact CG-CB 3.94Å; C382-R411 PolarHBondContact O-NH2 3.37Å; C382-R411 PolarHBondContact SG-NE 3.33Å; R411-S413 VanDerWaalsContact C-N 3.32Å |
| 412 | W | 82.3 | Confident | 68.4 | Low | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -82.7 | -6.1 | 178.3 | -59.5 | 98.9 | 0 | 0 | 0 | 113.7 | L183 F188 I285 L310 P312 S410 S414 G415 A417 | L183-W412 HydrophobicContact CD2-CZ2 3.99Å; F188-W412 HydrophobicContact CE1-CD2 4Å; F188-W412 AromaticContact CE1-CE3 3.81Å; F188-W412 HydrophobicContact CE1-CE3 3.81Å; F188-W412 HydrophobicContact CE1-CG 4.4Å; F188-W412 HydrophobicContact CE1-CZ3 4.25Å; F188-W412 HydrophobicContact CZ-CB 4.1Å; F188-W412 AromaticContact CZ-CD2 3.7Å; F188-W412 HydrophobicContact CZ-CD2 3.7Å; F188-W412 HydrophobicContact CZ-CE3 4.01Å; F188-W412 AromaticContact CZ-CG 3.75Å; F188-W412 HydrophobicContact CZ-CG 3.75Å; I285-W412 HydrophobicContact CD1-CH2 3.99Å; I285-W412 HydrophobicContact CD1-CZ2 3.87Å; I285-W412 HydrophobicContact CG1-CH2 4.44Å; I285-W412 HydrophobicContact CG1-CZ2 4.16Å; L310-W412 HydrophobicContact CB-CH2 4.15Å; L310-W412 HydrophobicContact CD2-CH2 3.76Å; L310-W412 HydrophobicContact CD2-CZ3 3.57Å; L310-W412 HydrophobicContact CG-CH2 3.73Å; L310-W412 HydrophobicContact CG-CZ3 3.75Å; L310-W412 WeakPolarHBondContact O-CH2 3.24Å; P312-W412 HydrophobicContact CB-CD2 3.75Å; P312-W412 HydrophobicContact CB-CE3 3.69Å; P312-W412 HydrophobicContact CB-CG 4.32Å; P312-W412 HydrophobicContact CB-CH2 4.29Å; P312-W412 HydrophobicContact CB-CZ2 4.35Å; P312-W412 HydrophobicContact CB-CZ3 3.96Å; P312-W412 HydrophobicContact CG-CD2 4.06Å; P312-W412 HydrophobicContact CG-CE3 4.33Å; P312-W412 HydrophobicContact CG-CH2 4.22Å; P312-W412 HydrophobicContact CG-CZ2 3.94Å; P312-W412 HydrophobicContact CG-CZ3 4.39Å; S410-W412 PolarHBondContact O-N 3.44Å; S410-W412 PolarHBondContact OG-N 3.01Å; W412-S414 PolarHBondContact O-N 3.04Å; W412-G415 PolarHBondContact O-N 2.94Å; W412-A417 HydrophobicContact CZ3-CB 4.12Å |
| 413 | S | 76.2 | Confident | 71.2 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -69.8 | -16.7 | -179.2 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | S410 R411 G415 | S410-S413 VanDerWaalsContact O-CB 3.26Å; S410-S413 WeakPolarHBondContact O-CB 2.92Å; S410-S413 PolarHBondContact O-N 3.09Å; S410-S413 PolarHBondContact O-OG 2.88Å; R411-S413 VanDerWaalsContact C-N 3.32Å; S413-G415 PolarHBondContact O-N 3.1Å |
| 414 | S | 79.8 | Confident | 73.9 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -62.7 | -24.3 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | L313 W412 Y416 | L313-S414 VanDerWaalsContact O-CB 3.23Å; L313-S414 WeakPolarHBondContact O-CB 3.36Å; L313-S414 PolarHBondContact O-OG 3.36Å; W412-S414 PolarHBondContact O-N 3.04Å; S414-Y416 WeakPolarHBondContact O-CD2 3.43Å; S414-Y416 WeakPolarHBondContact O-CE2 3.29Å; S414-Y416 PolarHBondContact O-N 3.27Å; S414-Y416 PolarHBondContact OG-N 2.97Å; S414-Y416 PolarHBondContact OG-O 3.15Å |
| 415 | G | 86.4 | Confident | 76.3 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | trans | 74.1 | 4.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I217 E218 W412 S413 | I217-G415 CarbonylContact C-O 3.51Å; I217-G415 WeakPolarHBondContact CA-O 3.47Å; E218-G415 PolarHBondContact N-O 2.76Å; W412-G415 PolarHBondContact O-N 2.94Å; S413-G415 PolarHBondContact O-N 3.1Å | ||
| 416 | Y | 87.7 | Confident | 78.7 | Confident | 74 Ų | 74 | 40.6 Ų | 40.6 | 29% | 0.29 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.6 | -177.1 | -57.2 | -63.2 | 0 | 0 | 0 | 111.4 | E218 R220 L313 S414 | E218-Y416 HydrophobicContact CB-CD1 3.83Å; E218-Y416 HydrophobicContact CB-CE1 4.01Å; E218-Y416 HydrophobicContact CG-CD1 4.26Å; E218-Y416 HydrophobicContact CG-CE1 4.31Å; E218-Y416 WeakPolarHBondContact O-CA 3.47Å; E218-Y416 WeakPolarHBondContact OE2-CE1 3.23Å; R220-Y416 HydrophobicContact CG-CD1 4.35Å; R220-Y416 VanDerWaalsContact CZ-CE1 3.42Å; R220-Y416 VanDerWaalsContact NE-CD1 3.26Å; R220-Y416 PolarHBondContact NH2-OH 3.34Å; L313-Y416 PolarHBondContact N-O 3.22Å; S414-Y416 WeakPolarHBondContact O-CD2 3.43Å; S414-Y416 WeakPolarHBondContact O-CE2 3.29Å; S414-Y416 PolarHBondContact O-N 3.27Å; S414-Y416 PolarHBondContact OG-N 2.97Å; S414-Y416 PolarHBondContact OG-O 3.15Å |
| 417 | A | 90.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 171.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I217 E218 I219 R220 L310 I311 W412 | I217-A417 HydrophobicContact CG2-CB 3.53Å; E218-A417 PolarHBondContact O-N 2.69Å; I219-A417 CarbonylContact C-O 3.58Å; I219-A417 WeakPolarHBondContact CA-O 3.33Å; I219-A417 HydrophobicContact CD1-CB 4.18Å; R220-A417 PolarHBondContact N-O 3.37Å; L310-A417 HydrophobicContact CD1-CB 3.64Å; L310-A417 HydrophobicContact CG-CB 4.03Å; I311-A417 CarbonylContact O-C 3.46Å; I311-A417 WeakPolarHBondContact O-CA 3.31Å; I311-A417 VanDerWaalsContact O-CB 3.28Å; I311-A417 WeakPolarHBondContact O-CB 3.3Å; W412-A417 HydrophobicContact CZ3-CB 4.12Å |
| 418 | V | 90.1 | Very high | 82.7 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.3 | 172.3 | 67.6 | 0 | 0 | 0 | 0 | 109.9 | L224 I311 L313 I420 | L224-V418 HydrophobicContact CD1-CG2 3.62Å; L224-V418 HydrophobicContact CD2-CG2 4.16Å; L224-V418 HydrophobicContact CG-CG2 3.86Å; I311-V418 HydrophobicContact CB-CG1 4.12Å; I311-V418 PolarHBondContact N-O 3.1Å; I311-V418 PolarHBondContact O-N 3.07Å; L313-V418 HydrophobicContact CD1-CB 4.47Å; L313-V418 HydrophobicContact CD2-CB 4.5Å; L313-V418 HydrophobicContact CD2-CG1 4.01Å; L313-V418 HydrophobicContact CG-CG1 4.49Å; V418-I420 HydrophobicContact CG1-CG2 4.47Å |
| 419 | W | 92.5 | Very high | 84.4 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.9 | 172.3 | -77 | 107.4 | 0 | 0 | 0 | 110.6 | F190 V204 T269 P270 L287 W308 E309 L310 | F190-W419 AromaticContact CD2-CZ2 3.92Å; F190-W419 HydrophobicContact CD2-CZ2 3.92Å; F190-W419 HydrophobicContact CE2-CZ2 4.04Å; V204-W419 HydrophobicContact CG2-CZ2 3.96Å; T269-W419 HydrophobicContact CG2-CB 4.49Å; P270-W419 VanDerWaalsContact CD-CD1 3.48Å; P270-W419 VanDerWaalsContact CD-CG 3.42Å; P270-W419 HydrophobicContact CG-CD2 3.8Å; P270-W419 HydrophobicContact CG-CE3 4.18Å; P270-W419 HydrophobicContact CG-CG 4.03Å; P270-W419 HydrophobicContact CG-CZ2 4.41Å; L287-W419 HydrophobicContact CB-CH2 3.73Å; L287-W419 HydrophobicContact CB-CZ3 3.82Å; L287-W419 HydrophobicContact CD2-CH2 4.07Å; L287-W419 HydrophobicContact CD2-CZ2 4.4Å; L287-W419 HydrophobicContact CD2-CZ3 4.44Å; W308-W419 HydrophobicContact CB-CE3 3.72Å; W308-W419 HydrophobicContact CB-CZ3 3.81Å; W308-W419 HydrophobicContact CE3-CB 3.96Å; W308-W419 HydrophobicContact CZ3-CB 4.14Å; E309-W419 VanDerWaalsContact C-CE3 3.41Å; L310-W419 HydrophobicContact CB-CD2 4.24Å; L310-W419 HydrophobicContact CB-CE3 3.87Å; L310-W419 HydrophobicContact CB-CH2 3.75Å; L310-W419 HydrophobicContact CB-CZ2 4.11Å; L310-W419 HydrophobicContact CB-CZ3 3.62Å; L310-W419 HydrophobicContact CD1-CD2 3.78Å; L310-W419 HydrophobicContact CD1-CE3 4.28Å; L310-W419 HydrophobicContact CD1-CG 4.13Å; L310-W419 HydrophobicContact CD1-CH2 4.45Å; L310-W419 HydrophobicContact CD1-CZ2 3.94Å; L310-W419 HydrophobicContact CD2-CZ2 4.4Å; L310-W419 HydrophobicContact CG-CH2 4.49Å; L310-W419 HydrophobicContact CG-CZ2 4.37Å |
| 420 | I | 89.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.8 | 170.7 | 70.5 | 159.3 | 0 | 0 | 0 | 110.7 | L229 L231 W308 E309 I311 V418 | L229-I420 HydrophobicContact CD1-CG2 3.82Å; L229-I420 HydrophobicContact CD2-CB 4.24Å; L229-I420 HydrophobicContact CD2-CD1 4.14Å; L229-I420 HydrophobicContact CD2-CG2 3.78Å; L229-I420 HydrophobicContact CG-CG2 4.47Å; L231-I420 HydrophobicContact CD1-CD1 3.98Å; W308-I420 CarbonylContact C-O 3.57Å; W308-I420 WeakPolarHBondContact CA-O 3.35Å; E309-I420 HydrophobicContact CB-CG1 3.98Å; E309-I420 PolarHBondContact N-O 3.41Å; E309-I420 PolarHBondContact O-N 2.75Å; I311-I420 HydrophobicContact CD1-CD1 3.35Å; I311-I420 HydrophobicContact CD1-CG1 3.64Å; I311-I420 HydrophobicContact CD1-CG2 4.09Å; I311-I420 HydrophobicContact CG1-CD1 4.37Å; I311-I420 HydrophobicContact CG1-CG1 4.2Å; V418-I420 HydrophobicContact CG1-CG2 4.47Å |
| 421 | I | 90.5 | Very high | 86.1 | Confident | 60 Ų | 60 | 27.3 Ų | 27.3 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.9 | 174.4 | -62.1 | 176.5 | 0 | 0 | 0 | 108.6 | A306 W308 H423 P424 | A306-I421 HydrophobicContact CB-CG2 4.42Å; W308-I421 HydrophobicContact CD2-CG1 4.04Å; W308-I421 HydrophobicContact CE3-CG1 3.68Å; W308-I421 HydrophobicContact CH2-CD1 3.71Å; W308-I421 HydrophobicContact CH2-CG1 3.58Å; W308-I421 HydrophobicContact CZ2-CD1 3.99Å; W308-I421 HydrophobicContact CZ2-CG1 3.93Å; W308-I421 HydrophobicContact CZ3-CD1 4.09Å; W308-I421 HydrophobicContact CZ3-CG1 3.45Å; W308-I421 VanDerWaalsContact CZ3-CG1 3.45Å; I421-H423 VanDerWaalsContact CG2-C 3.49Å; I421-H423 WeakPolarHBondContact CG2-O 3.47Å; I421-P424 HydrophobicContact CG2-CB 4.39Å |
| 422 | R | 89.5 | Confident | 86.4 | Confident | 44 Ų | 44 | 28.7 Ų | 28.7 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -28.9 | 175.1 | -66.7 | -52.8 | -61 | -145.2 | 11 | 113.7 | F286 L307 E309 L514 | F286-R422 HydrophobicContact CE1-CG 4.44Å; L307-R422 HydrophobicContact CD2-CB 4.31Å; L307-R422 HydrophobicContact CG-CB 4.39Å; L307-R422 PolarHBondContact O-N 2.88Å; E309-R422 HydrophobicContact CB-CG 3.49Å; E309-R422 VanDerWaalsContact CB-CG 3.49Å; E309-R422 WeakPolarHBondContact OE2-CD 3.37Å; E309-R422 WeakPolarHBondContact OE2-CG 3.39Å; E309-R422 IonicContact OE2-CZ 3.75Å; E309-R422 IonicContact OE2-NE 2.72Å; E309-R422 IonicContact OE2-NH1 3.85Å; E309-R422 PolarHBondContact OE2-NH1 3.3Å; E309-R422 VanDerWaalsContact OE2-NH1 3.1Å; R422-L514 VanDerWaalsContact NH2-CD1 3.27Å |
| 423 | H | 92.2 | Very high | 86.1 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 124 | 171.6 | -171.7 | -77.6 | 0 | 0 | 0 | 107.6 | A306 L307 I421 G425 S468 F509 W516 | A306-H423 WeakPolarHBondContact CA-O 3.49Å; L307-H423 HydrophobicContact CB-CB 4.03Å; L307-H423 PolarHBondContact N-O 3.02Å; L307-H423 PolarHBondContact O-N 3.1Å; I421-H423 VanDerWaalsContact CG2-C 3.49Å; I421-H423 WeakPolarHBondContact CG2-O 3.47Å; H423-G425 WeakPolarHBondContact ND1-CA 3.49Å; H423-G425 PolarHBondContact ND1-N 2.89Å; H423-G425 PolarHBondContact O-N 2.94Å; H423-S468 VanDerWaalsContact CE1-CB 3.5Å; H423-S468 WeakPolarHBondContact CE1-CB 3.2Å; H423-F509 HydrophobicContact CB-CE2 3.83Å; H423-F509 HydrophobicContact CB-CZ 4.21Å; H423-W516 AromaticContact CD2-CD1 3.73Å; H423-W516 AromaticContact CE1-CD1 3.69Å; H423-W516 AromaticContact CG-CD1 3.66Å; H423-W516 AromaticContact CG-NE1 3.66Å; H423-W516 AromaticContact ND1-CD1 3.62Å; H423-W516 AromaticContact ND1-NE1 3.67Å; H423-W516 AromaticContact NE2-CD1 3.73Å |
| 424 | P | 90.1 | Very high | 86.1 | Confident | 57 Ų | 57 | 27.7 Ų | 27.7 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | trans | -65.6 | -25.8 | -175.4 | 26.2 | -34.4 | 0 | 0 | 0 | 112.6 | A306 I421 G427 | A306-P424 WeakPolarHBondContact CA-O 3.47Å; I421-P424 HydrophobicContact CG2-CB 4.39Å; P424-G427 PolarHBondContact O-N 2.83Å | ||
| 425 | G | 89.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -149.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | H423 G427 L466 | H423-G425 WeakPolarHBondContact ND1-CA 3.49Å; H423-G425 PolarHBondContact ND1-N 2.89Å; H423-G425 PolarHBondContact O-N 2.94Å; G425-G427 PolarHBondContact O-N 2.69Å; G425-L466 WeakPolarHBondContact O-CD2 3.44Å |
| 426 | H | 86.8 | Confident | 84.9 | Confident | 56 Ų | 56 | 29.6 Ų | 29.6 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 11.1 | 172.5 | -54 | -81.6 | 0 | 0 | 0 | 112.4 | S305 Q429 L466 S468 Y470 | S305-H426 VanDerWaalsContact OG-C 3.23Å; S305-H426 VanDerWaalsContact OG-CA 3.28Å; S305-H426 WeakPolarHBondContact OG-CA 3.43Å; S305-H426 WeakPolarHBondContact OG-CB 3.3Å; S305-H426 PolarHBondContact OG-N 3.21Å; H426-Q429 HydrophobicContact CB-CG 4.37Å; H426-L466 PolarHBondContact CE1-O 3.27Å; H426-S468 PolarHBondContact NE2-O 3.31Å; H426-S468 VanDerWaalsContact NE2-O 3.12Å; H426-S468 PolarHBondContact NE2-OG 2.66Å; H426-Y470 AromaticContact CD2-CD1 3.62Å; H426-Y470 AromaticContact CD2-CE1 3.9Å; H426-Y470 AromaticContact NE2-CD1 4Å; H426-Y470 AromaticContact NE2-CE1 3.98Å |
| 427 | G | 83.5 | Confident | 84 | Confident | 21 Ų | 21 | 29.4 Ų | 29.4 | 22% | 0.216 | 16% | 0.164 | C | C | . | . | trans | 69.4 | -153.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S305 P424 G425 Q429 | S305-G427 PolarHBondContact N-O 2.94Å; S305-G427 PolarHBondContact OG-N 3.43Å; S305-G427 PolarHBondContact OG-O 3.35Å; P424-G427 PolarHBondContact O-N 2.83Å; G425-G427 PolarHBondContact O-N 2.69Å; G427-Q429 WeakPolarHBondContact O-CG 3.41Å | ||
| 428 | L | 87.2 | Confident | 82.8 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.5 | 172.4 | -67 | 171.4 | 0 | 0 | 0 | 110 | P267 L271 I302 D304 | P267-L428 HydrophobicContact CG-CD1 4.32Å; L271-L428 HydrophobicContact CD1-CD1 3.55Å; L271-L428 HydrophobicContact CD1-CD2 4.1Å; L271-L428 HydrophobicContact CD1-CG 4.5Å; L271-L428 HydrophobicContact CG-CD1 4.31Å; I302-L428 HydrophobicContact CD1-CD1 4.11Å; I302-L428 HydrophobicContact CD1-CD2 4.15Å; I302-L428 HydrophobicContact CD1-CG 4.49Å; D304-L428 HydrophobicContact CB-CD2 3.78Å |
| 429 | Q | 86.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.9 | -172.8 | -46 | -170 | -81.5 | 0 | 0 | 109.3 | Y303 H426 G427 L434 | Y303-Q429 PolarHBondContact N-O 2.75Å; Y303-Q429 PolarHBondContact O-N 2.93Å; H426-Q429 HydrophobicContact CB-CG 4.37Å; G427-Q429 WeakPolarHBondContact O-CG 3.41Å; Q429-L434 HydrophobicContact CB-CD1 3.91Å; Q429-L434 HydrophobicContact CG-CD1 4.22Å; Q429-L434 VanDerWaalsContact NE2-CD1 3.28Å |
| 430 | S | 85.5 | Confident | 79.7 | Confident | 15 Ų | 15 | 35 Ų | 35 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | trans | -72.7 | 145.7 | 164.7 | 65.1 | 0 | 0 | 0 | 0 | 109.2 | E432 V433 L434 | S430-E432 PolarHBondContact O-N 2.93Å; S430-V433 PolarHBondContact O-N 3.1Å; S430-V433 WeakPolarHBondContact OG-CB 3.41Å; S430-V433 WeakPolarHBondContact OG-CG2 2.95Å; S430-V433 PolarHBondContact OG-N 3.02Å; S430-L434 WeakPolarHBondContact O-CB 3.47Å; S430-L434 PolarHBondContact O-N 3.42Å | ||
| 431 | P | 79.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -30.9 | 177.3 | 17.6 | -25.2 | 0 | 0 | 0 | 111.9 | D301 Y303 L434 L435 I491 | D301-P431 WeakPolarHBondContact O-CD 3.34Å; Y303-P431 HydrophobicContact CE2-CB 3.97Å; Y303-P431 HydrophobicContact CE2-CG 3.9Å; P431-L434 PolarHBondContact O-N 3.22Å; P431-L435 WeakPolarHBondContact O-CB 3.41Å; P431-L435 WeakPolarHBondContact O-CD1 3.28Å; P431-L435 WeakPolarHBondContact O-CG 3.48Å; P431-L435 PolarHBondContact O-N 3.44Å; P431-I491 HydrophobicContact CB-CD1 4.11Å |
| 432 | E | 77.6 | Confident | 76.1 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 176.7 | -65.8 | 65.5 | -140.7 | 0 | 0 | 111.3 | S430 L434 L435 S436 S493 T495 | S430-E432 PolarHBondContact O-N 2.93Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 PolarHBondContact O-N 3.36Å; E432-L435 PolarHBondContact O-N 2.92Å; E432-S436 VanDerWaalsContact O-CB 3.29Å; E432-S436 WeakPolarHBondContact O-CB 3.48Å; E432-S436 PolarHBondContact O-N 3.49Å; E432-S493 PolarHBondContact OE1-OG 2.91Å; E432-T495 HydrophobicContact CG-CG2 4.27Å; E432-T495 WeakPolarHBondContact OE1-CG2 2.88Å; E432-T495 PolarHBondContact OE1-OG1 2.97Å |
| 433 | V | 75.8 | Confident | 73.9 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.6 | 172 | 0 | 0 | 0 | 0 | 110 | S430 S436 Q437 | S430-V433 PolarHBondContact O-N 3.1Å; S430-V433 WeakPolarHBondContact OG-CB 3.41Å; S430-V433 WeakPolarHBondContact OG-CG2 2.95Å; S430-V433 PolarHBondContact OG-N 3.02Å; V433-S436 PolarHBondContact O-N 3.42Å; V433-Q437 HydrophobicContact CG1-CG 4.22Å; V433-Q437 VanDerWaalsContact O-CB 3.29Å; V433-Q437 WeakPolarHBondContact O-CB 3.3Å; V433-Q437 VanDerWaalsContact O-CG 3.23Å; V433-Q437 WeakPolarHBondContact O-CG 3.31Å; V433-Q437 PolarHBondContact O-N 3.28Å |
| 434 | L | 77 | Confident | 71.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 179.3 | -160.6 | 82.7 | 0 | 0 | 0 | 111.8 | Q429 S430 P431 E432 Q437 I438 Y470 I491 Y503 | Q429-L434 HydrophobicContact CB-CD1 3.91Å; Q429-L434 HydrophobicContact CG-CD1 4.22Å; Q429-L434 VanDerWaalsContact NE2-CD1 3.28Å; S430-L434 WeakPolarHBondContact O-CB 3.47Å; S430-L434 PolarHBondContact O-N 3.42Å; P431-L434 PolarHBondContact O-N 3.22Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 PolarHBondContact O-N 3.36Å; L434-Q437 PolarHBondContact O-N 3.05Å; L434-I438 HydrophobicContact CD2-CD1 4.19Å; L434-I438 HydrophobicContact CG-CD1 3.96Å; L434-I438 WeakPolarHBondContact O-CB 3.44Å; L434-I438 WeakPolarHBondContact O-CD1 3.35Å; L434-I438 WeakPolarHBondContact O-CG1 3.2Å; L434-I438 PolarHBondContact O-N 2.89Å; L434-Y470 HydrophobicContact CD1-CD1 3.45Å; L434-Y470 VanDerWaalsContact CD1-CD1 3.45Å; L434-Y470 HydrophobicContact CD1-CE1 3.97Å; L434-Y470 HydrophobicContact CD1-CG 3.83Å; L434-I491 HydrophobicContact CB-CD1 4.29Å; L434-I491 HydrophobicContact CD2-CB 4.46Å; L434-I491 HydrophobicContact CD2-CD1 3.42Å; L434-I491 VanDerWaalsContact CD2-CD1 3.42Å; L434-I491 HydrophobicContact CD2-CG1 4.03Å; L434-I491 HydrophobicContact CD2-CG2 3.83Å; L434-I491 HydrophobicContact CG-CD1 4.35Å; L434-Y503 WeakPolarHBondContact CD2-OH 3.36Å |
| 435 | L | 72.5 | Confident | 69.1 | Low | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 177.4 | -73.2 | 170.7 | 0 | 0 | 0 | 109.5 | P431 E432 Q437 I438 F439 I491 L499 L501 L1230 | P431-L435 WeakPolarHBondContact O-CB 3.41Å; P431-L435 WeakPolarHBondContact O-CD1 3.28Å; P431-L435 WeakPolarHBondContact O-CG 3.48Å; P431-L435 PolarHBondContact O-N 3.44Å; E432-L435 PolarHBondContact O-N 2.92Å; L435-Q437 PolarHBondContact O-N 2.82Å; L435-I438 CarbonylContact O-C 3.49Å; L435-I438 PolarHBondContact O-N 2.65Å; L435-F439 HydrophobicContact CB-CD2 4.19Å; L435-F439 HydrophobicContact CB-CE2 4.13Å; L435-F439 HydrophobicContact CD2-CE2 4.48Å; L435-F439 WeakPolarHBondContact O-CB 3.5Å; L435-F439 WeakPolarHBondContact O-CD2 3.32Å; L435-F439 WeakPolarHBondContact O-CG 3.26Å; L435-F439 PolarHBondContact O-N 3.22Å; L435-I491 HydrophobicContact CD2-CD1 4.02Å; L435-I491 HydrophobicContact CG-CD1 3.97Å; L435-L499 HydrophobicContact CD1-CB 4Å; L435-L499 HydrophobicContact CD1-CD1 4.25Å; L435-L501 HydrophobicContact CD2-CB 4.46Å; L435-L1230 HydrophobicContact CD2-CD2 3.32Å |
| 436 | S | 68.7 | Low | 66.5 | Low | 74 Ų | 74 | 48.5 Ų | 48.5 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | E432 V433 I438 F439 S440 | E432-S436 VanDerWaalsContact O-CB 3.29Å; E432-S436 WeakPolarHBondContact O-CB 3.48Å; E432-S436 PolarHBondContact O-N 3.49Å; V433-S436 PolarHBondContact O-N 3.42Å; S436-I438 VanDerWaalsContact C-N 3.34Å; S436-I438 PolarHBondContact O-N 3.23Å; S436-F439 PolarHBondContact O-N 3.31Å; S436-S440 WeakPolarHBondContact O-CB 3.34Å; S436-S440 PolarHBondContact O-N 3.32Å; S436-S440 PolarHBondContact O-OG 2.91Å |
| 437 | Q | 69 | Low | 63.7 | Low | 70 Ų | 70 | 56 Ų | 56 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175 | -78 | -178.3 | 5.9 | 0 | 0 | 112.4 | V433 L434 L435 S440 K441 | V433-Q437 HydrophobicContact CG1-CG 4.22Å; V433-Q437 VanDerWaalsContact O-CB 3.29Å; V433-Q437 WeakPolarHBondContact O-CB 3.3Å; V433-Q437 VanDerWaalsContact O-CG 3.23Å; V433-Q437 WeakPolarHBondContact O-CG 3.31Å; V433-Q437 PolarHBondContact O-N 3.28Å; L434-Q437 PolarHBondContact O-N 3.05Å; L435-Q437 PolarHBondContact O-N 2.82Å; Q437-S440 VanDerWaalsContact CA-OG 3.26Å; Q437-S440 WeakPolarHBondContact CA-OG 3.35Å; Q437-S440 PolarHBondContact O-OG 2.9Å; Q437-K441 VanDerWaalsContact O-CB 3.3Å; Q437-K441 WeakPolarHBondContact O-CB 3.45Å; Q437-K441 WeakPolarHBondContact O-CG 3.4Å; Q437-K441 PolarHBondContact O-N 3.42Å |
| 438 | I | 65.5 | Low | 61 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -50.5 | 176 | -70.4 | 167.4 | 0 | 0 | 0 | 108.4 | L434 L435 S436 S440 K441 V442 Y470 L501 | L434-I438 HydrophobicContact CD2-CD1 4.19Å; L434-I438 HydrophobicContact CG-CD1 3.96Å; L434-I438 WeakPolarHBondContact O-CB 3.44Å; L434-I438 WeakPolarHBondContact O-CD1 3.35Å; L434-I438 WeakPolarHBondContact O-CG1 3.2Å; L434-I438 PolarHBondContact O-N 2.89Å; L435-I438 CarbonylContact O-C 3.49Å; L435-I438 PolarHBondContact O-N 2.65Å; S436-I438 VanDerWaalsContact C-N 3.34Å; S436-I438 PolarHBondContact O-N 3.23Å; I438-S440 PolarHBondContact O-N 3.34Å; I438-K441 WeakPolarHBondContact O-CB 3.25Å; I438-K441 PolarHBondContact O-N 3.35Å; I438-V442 HydrophobicContact CG2-CG2 4.01Å; I438-V442 WeakPolarHBondContact O-CB 3.12Å; I438-V442 WeakPolarHBondContact O-CG2 3.35Å; I438-V442 PolarHBondContact O-N 2.88Å; I438-Y470 HydrophobicContact CG1-CE2 4.12Å; I438-L501 HydrophobicContact CD1-CD2 3.42Å; I438-L501 VanDerWaalsContact CD1-CD2 3.42Å |
| 439 | F | 62.2 | Low | 58.2 | Low | 80 Ų | 80 | 63.7 Ų | 63.7 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 176.4 | -78.5 | -61.3 | 0 | 0 | 0 | 113.2 | L435 S436 V442 N443 L1230 | L435-F439 HydrophobicContact CB-CD2 4.19Å; L435-F439 HydrophobicContact CB-CE2 4.13Å; L435-F439 HydrophobicContact CD2-CE2 4.48Å; L435-F439 WeakPolarHBondContact O-CB 3.5Å; L435-F439 WeakPolarHBondContact O-CD2 3.32Å; L435-F439 WeakPolarHBondContact O-CG 3.26Å; L435-F439 PolarHBondContact O-N 3.22Å; S436-F439 PolarHBondContact O-N 3.31Å; F439-V442 VanDerWaalsContact O-CB 3.26Å; F439-V442 WeakPolarHBondContact O-CB 3.17Å; F439-V442 WeakPolarHBondContact O-CG1 3.25Å; F439-V442 PolarHBondContact O-N 3.5Å; F439-N443 VanDerWaalsContact O-CB 3.23Å; F439-N443 WeakPolarHBondContact O-CB 3.42Å; F439-N443 PolarHBondContact O-N 2.85Å; F439-N443 PolarHBondContact O-ND2 3.5Å; F439-L1230 HydrophobicContact CD1-CD1 4.24Å; F439-L1230 HydrophobicContact CE1-CD1 3.42Å; F439-L1230 VanDerWaalsContact CE1-CD1 3.42Å; F439-L1230 HydrophobicContact CE2-CD1 4.27Å; F439-L1230 HydrophobicContact CZ-CD1 3.43Å; F439-L1230 VanDerWaalsContact CZ-CD1 3.43Å; F439-L1230 HydrophobicContact CZ-CD2 4.29Å; F439-L1230 HydrophobicContact CZ-CG 4.47Å |
| 440 | S | 55.4 | Low | 55.3 | Low | 43 Ų | 43 | 72 Ų | 72 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | S436 Q437 I438 V442 N443 G444 F445 | S436-S440 WeakPolarHBondContact O-CB 3.34Å; S436-S440 PolarHBondContact O-N 3.32Å; S436-S440 PolarHBondContact O-OG 2.91Å; Q437-S440 VanDerWaalsContact CA-OG 3.26Å; Q437-S440 WeakPolarHBondContact CA-OG 3.35Å; Q437-S440 PolarHBondContact O-OG 2.9Å; I438-S440 PolarHBondContact O-N 3.34Å; S440-V442 VanDerWaalsContact C-N 3.27Å; S440-V442 PolarHBondContact O-N 2.81Å; S440-N443 PolarHBondContact O-N 2.83Å; S440-G444 PolarHBondContact O-N 3.36Å; S440-F445 PolarHBondContact O-N 3.28Å |
| 441 | K | 54.5 | Low | 52.4 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 171.6 | -83.5 | -176.4 | 176.4 | -178.3 | 0 | 112.2 | Q437 I438 Y470 | Q437-K441 VanDerWaalsContact O-CB 3.3Å; Q437-K441 WeakPolarHBondContact O-CB 3.45Å; Q437-K441 WeakPolarHBondContact O-CG 3.4Å; Q437-K441 PolarHBondContact O-N 3.42Å; I438-K441 WeakPolarHBondContact O-CB 3.25Å; I438-K441 PolarHBondContact O-N 3.35Å; K441-Y470 WeakPolarHBondContact CD-OH 3.38Å; K441-Y470 WeakPolarHBondContact CE-OH 3.44Å; K441-Y470 PolarHBondContact NZ-OH 3Å |
| 442 | V | 49.1 | Very low | 49.7 | Very low | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.067 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.8 | 139.6 | 0 | 0 | 0 | 0 | 111.1 | I438 F439 S440 G444 I1224 | I438-V442 HydrophobicContact CG2-CG2 4.01Å; I438-V442 WeakPolarHBondContact O-CB 3.12Å; I438-V442 WeakPolarHBondContact O-CG2 3.35Å; I438-V442 PolarHBondContact O-N 2.88Å; F439-V442 VanDerWaalsContact O-CB 3.26Å; F439-V442 WeakPolarHBondContact O-CB 3.17Å; F439-V442 WeakPolarHBondContact O-CG1 3.25Å; F439-V442 PolarHBondContact O-N 3.5Å; S440-V442 VanDerWaalsContact C-N 3.27Å; S440-V442 PolarHBondContact O-N 2.81Å; V442-G444 VanDerWaalsContact C-N 3.3Å; V442-G444 PolarHBondContact O-N 3Å; V442-I1224 HydrophobicContact CB-CB 4.49Å; V442-I1224 HydrophobicContact CB-CD1 3.9Å; V442-I1224 HydrophobicContact CB-CG1 3.6Å; V442-I1224 HydrophobicContact CB-CG2 4.34Å; V442-I1224 HydrophobicContact CG1-CB 4.47Å; V442-I1224 HydrophobicContact CG1-CD1 3.18Å; V442-I1224 HydrophobicContact CG1-CG1 3.18Å; V442-I1224 HydrophobicContact CG2-CB 4.15Å; V442-I1224 HydrophobicContact CG2-CD1 3.71Å; V442-I1224 HydrophobicContact CG2-CG1 3.63Å; V442-I1224 HydrophobicContact CG2-CG2 3.52Å |
| 443 | N | 44.1 | Very low | 47.1 | Very low | 78 Ų | 78 | 87.9 Ų | 87.9 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -84.2 | -2.8 | -175.7 | -69.5 | -17.6 | 0 | 0 | 0 | 113.2 | F439 S440 F445 | F439-N443 VanDerWaalsContact O-CB 3.23Å; F439-N443 WeakPolarHBondContact O-CB 3.42Å; F439-N443 PolarHBondContact O-N 2.85Å; F439-N443 PolarHBondContact O-ND2 3.5Å; S440-N443 PolarHBondContact O-N 2.83Å; N443-F445 HydrophobicContact CB-CD2 3.48Å; N443-F445 VanDerWaalsContact CB-CD2 3.48Å; N443-F445 HydrophobicContact CB-CE2 3.78Å; N443-F445 PolarHBondContact O-N 3.47Å; N443-F445 VanDerWaalsContact O-N 3.16Å |
| 444 | G | 45 | Very low | 44.6 | Very low | 56 Ų | 56 | 91.3 Ų | 91.3 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 9.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S440 V442 T446 | S440-G444 PolarHBondContact O-N 3.36Å; V442-G444 VanDerWaalsContact C-N 3.3Å; V442-G444 PolarHBondContact O-N 3Å; G444-T446 VanDerWaalsContact C-N 3.29Å; G444-T446 PolarHBondContact O-N 3.16Å |
| 445 | F | 36.3 | Very low | 41.9 | Very low | 133 Ų | 133 | 100.5 Ų | 100.5 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | trans | -68.3 | 87.3 | 171.8 | -70.7 | -71.6 | 0 | 0 | 0 | 109.3 | S440 N443 Y447 | S440-F445 PolarHBondContact O-N 3.28Å; N443-F445 HydrophobicContact CB-CD2 3.48Å; N443-F445 VanDerWaalsContact CB-CD2 3.48Å; N443-F445 HydrophobicContact CB-CE2 3.78Å; N443-F445 PolarHBondContact O-N 3.47Å; N443-F445 VanDerWaalsContact O-N 3.16Å; F445-Y447 PolarHBondContact O-N 2.93Å | ||
| 446 | T | 33.6 | Very low | 39.5 | Very low | 119 Ų | 119 | 105.6 Ų | 105.6 | 73% | 0.73 | 58% | 0.575 | S | S | * | * | trans | -70.4 | 108.3 | 151.3 | 47.2 | 0 | 0 | 0 | 0 | 105.8 | G444 D448 | G444-T446 VanDerWaalsContact C-N 3.29Å; G444-T446 PolarHBondContact O-N 3.16Å; T446-D448 PolarHBondContact O-N 2.75Å | ||
| 447 | Y | 28 | Very low | 37.2 | Very low | 212 Ų | 212 | 107.1 Ų | 107.1 | 83% | 0.831 | 59% | 0.586 | S | S | * | * | trans | -55.1 | 98.7 | 177.5 | -157.7 | -93.2 | 0 | 0 | 0 | 109.3 | F445 S449 | F445-Y447 PolarHBondContact O-N 2.93Å; Y447-S449 PolarHBondContact O-N 2.89Å; Y447-S449 VanDerWaalsContact O-N 3.16Å | ||
| 448 | D | 28 | Very low | 34.9 | Very low | 152 Ų | 152 | 108.8 Ų | 108.8 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -86.6 | 83.3 | 179.1 | -128 | -4.7 | 0 | 0 | 0 | 107.6 | T446 K450 | T446-D448 PolarHBondContact O-N 2.75Å; D448-K450 PolarHBondContact O-N 3.09Å | ||
| 449 | S | 27.7 | Very low | 32.9 | Very low | 89 Ų | 89 | 114.2 Ų | 114.2 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | trans | -74.2 | 70.2 | 179.3 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | Y447 | Y447-S449 PolarHBondContact O-N 2.89Å; Y447-S449 VanDerWaalsContact O-N 3.16Å | ||
| 450 | K | 26.8 | Very low | 31 | Very low | 182 Ų | 182 | 116.1 Ų | 116.1 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -171.1 | 50.9 | 171.6 | -107.9 | 157.1 | -165.3 | -170.2 | 0 | 115.1 | D448 S452 | D448-K450 PolarHBondContact O-N 3.09Å; K450-S452 PolarHBondContact O-N 3.44Å | ||
| 451 | S | 24.3 | Very low | 29.5 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -81.1 | 62 | 157.1 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 452 | S | 22.4 | Very low | 28.2 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 169.8 | 98.2 | 151.8 | 58.5 | 0 | 0 | 0 | 0 | 107.8 | K450 | K450-S452 PolarHBondContact O-N 3.44Š|
| 453 | F | 22.7 | Very low | 27.2 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | 162.1 | 112.2 | 134.5 | -104.1 | -95.1 | 0 | 0 | 0 | 110.2 | ||||
| 454 | V | 23.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | trans | 49 | 113.3 | 141.4 | -172.3 | 0 | 0 | 0 | 0 | 118 | S456 | V454-S456 PolarHBondContact O-N 2.91Š| ||
| 455 | E | 19.7 | Very low | 27.1 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -19.2 | 112.7 | 156.7 | -66.1 | 174.2 | 150.5 | 0 | 0 | 114.6 | ||||
| 456 | S | 23.3 | Very low | 28.4 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -149.5 | 132.6 | 146 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | V454 | V454-S456 PolarHBondContact O-N 2.91Š| ||
| 457 | S | 20.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -54.1 | 146.1 | -175.5 | 43.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 458 | S | 20.3 | Very low | 33.8 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | 61.9 | 102.7 | 147.4 | 63.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 459 | S | 23.3 | Very low | 36.8 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | 164.6 | 123.7 | 111.9 | 49.3 | 0 | 0 | 0 | 0 | 110 | S461 | S459-S461 PolarHBondContact O-N 2.95Š| |||
| 460 | S | 21.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 105.6 Ų | 105.6 | 85% | 0.846 | 62% | 0.624 | S | S | * | * | trans | -72.3 | 100 | -177 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 461 | S | 24.2 | Very low | 42.8 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | trans | -95 | 91.3 | 170.3 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | S459 S463 | S459-S461 PolarHBondContact O-N 2.95Å; S461-S463 PolarHBondContact O-N 3.44Å | ||
| 462 | T | 26.5 | Very low | 46 | Very low | 127 Ų | 127 | 91 Ų | 91 | 78% | 0.779 | 55% | 0.545 | S | S | * | . | trans | -60.2 | 115.9 | 169.7 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | S464 | T462-S464 PolarHBondContact O-N 3.14Š| ||
| 463 | S | 28.9 | Very low | 49.4 | Very low | 89 Ų | 89 | 87.2 Ų | 87.2 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | trans | -53.7 | 112.4 | 172.8 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | S461 K465 | S461-S463 PolarHBondContact O-N 3.44Å; S463-K465 PolarHBondContact O-N 2.83Å | ||
| 464 | S | 36.8 | Very low | 52.8 | Low | 75 Ų | 75 | 78.5 Ų | 78.5 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | trans | -59.8 | 93.8 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | R239 T462 L466 | R239-S464 VanDerWaalsContact CZ-OG 3.24Å; R239-S464 PolarHBondContact NH1-OG 2.84Å; R239-S464 VanDerWaalsContact NH2-N 3.11Å; R239-S464 PolarHBondContact NH2-OG 3.49Å; T462-S464 PolarHBondContact O-N 3.14Å; S464-L466 PolarHBondContact O-N 3.46Å | ||
| 465 | K | 50.6 | Low | 56.1 | Low | 163 Ų | 163 | 73.8 Ų | 73.8 | 71% | 0.709 | 45% | 0.45 | S | S | * | . | trans | -59.6 | 122 | 175.6 | -85.1 | 174.6 | 175 | 172.1 | 0 | 108.9 | S463 N467 | S463-K465 PolarHBondContact O-N 2.83Å; K465-N467 PolarHBondContact O-N 2.85Å | ||
| 466 | L | 63.1 | Low | 59.7 | Low | 80 Ų | 80 | 64.7 Ų | 64.7 | 42% | 0.419 | 41% | 0.408 | S | S | . | . | trans | -66.9 | 107.4 | 174.3 | -163.3 | 80.7 | 0 | 0 | 0 | 108.9 | G425 H426 S464 S468 | G425-L466 WeakPolarHBondContact O-CD2 3.44Å; H426-L466 PolarHBondContact CE1-O 3.27Å; S464-L466 PolarHBondContact O-N 3.46Å; L466-S468 PolarHBondContact O-N 2.93Å | ||
| 467 | N | 84.1 | Confident | 63.2 | Low | 93 Ų | 93 | 61.8 Ų | 61.8 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | trans | -74.8 | 94.9 | -178.5 | -169.9 | 40.4 | 0 | 0 | 0 | 109.4 | K465 W516 | K465-N467 PolarHBondContact O-N 2.85Å; N467-W516 PolarHBondContact ND2-O 3.06Å; N467-W516 WeakPolarHBondContact O-CB 3.46Å | ||
| 468 | S | 90.2 | Very high | 66.7 | Low | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | trans | -160.8 | 155.1 | 179.2 | 57 | 0 | 0 | 0 | 0 | 111.7 | H423 H426 L466 | H423-S468 VanDerWaalsContact CE1-CB 3.5Å; H423-S468 WeakPolarHBondContact CE1-CB 3.2Å; H426-S468 PolarHBondContact NE2-O 3.31Å; H426-S468 VanDerWaalsContact NE2-O 3.12Å; H426-S468 PolarHBondContact NE2-OG 2.66Å; L466-S468 PolarHBondContact O-N 2.93Å | ||
| 469 | P | 92 | Very high | 70.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.8 | 175.4 | 25.6 | -33.3 | 0 | 0 | 0 | 111.6 | F288 W507 W516 | F288-P469 HydrophobicContact CE2-CG 3.8Å; F288-P469 HydrophobicContact CZ-CB 3.95Å; F288-P469 HydrophobicContact CZ-CG 3.57Å; P469-W507 HydrophobicContact CB-CB 4.36Å; P469-W507 HydrophobicContact CB-CD2 3.89Å; P469-W507 HydrophobicContact CB-CG 3.76Å; P469-W507 HydrophobicContact CG-CB 4.28Å; P469-W507 HydrophobicContact CG-CD2 4.23Å; P469-W507 HydrophobicContact CG-CG 4.11Å; P469-W516 VanDerWaalsContact CD-CD2 3.43Å; P469-W516 HydrophobicContact CG-CD2 3.96Å; P469-W516 HydrophobicContact CG-CE3 4.04Å; P469-W516 HydrophobicContact CG-CH2 4.19Å; P469-W516 HydrophobicContact CG-CZ2 4.11Å; P469-W516 HydrophobicContact CG-CZ3 4.14Å |
| 470 | Y | 89.9 | Confident | 73.3 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 155.8 | 166.9 | -73 | -59.6 | 0 | 0 | 0 | 112.9 | H426 L434 I438 K441 R472 | H426-Y470 AromaticContact CD2-CD1 3.62Å; H426-Y470 AromaticContact CD2-CE1 3.9Å; H426-Y470 AromaticContact NE2-CD1 4Å; H426-Y470 AromaticContact NE2-CE1 3.98Å; L434-Y470 HydrophobicContact CD1-CD1 3.45Å; L434-Y470 VanDerWaalsContact CD1-CD1 3.45Å; L434-Y470 HydrophobicContact CD1-CE1 3.97Å; L434-Y470 HydrophobicContact CD1-CG 3.83Å; I438-Y470 HydrophobicContact CG1-CE2 4.12Å; K441-Y470 WeakPolarHBondContact CD-OH 3.38Å; K441-Y470 WeakPolarHBondContact CE-OH 3.44Å; K441-Y470 PolarHBondContact NZ-OH 3Å; Y470-R472 PolarHBondContact O-NE 3.37Å; Y470-R472 PolarHBondContact O-NH2 2.89Å |
| 471 | G | 89.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 136.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D304 I491 | D304-G471 VanDerWaalsContact O-CA 3.29Å; D304-G471 WeakPolarHBondContact O-CA 3.47Å; G471-I491 WeakPolarHBondContact O-CG2 3.38Å |
| 472 | R | 92.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -157.9 | 153.7 | -170.1 | 62.5 | -170.3 | 72.7 | -162.3 | -3 | 110.4 | F288 G289 G290 Y470 L475 F488 Y503 D505 | F288-R472 HydrophobicContact CE1-CG 4.04Å; G289-R472 WeakPolarHBondContact CA-O 3.4Å; G290-R472 PolarHBondContact N-O 3.45Å; Y470-R472 PolarHBondContact O-NE 3.37Å; Y470-R472 PolarHBondContact O-NH2 2.89Å; R472-L475 HydrophobicContact CG-CB 4.34Å; R472-L475 HydrophobicContact CG-CD1 4.39Å; R472-L475 HydrophobicContact CG-CD2 4.32Å; R472-F488 WeakPolarHBondContact CD-O 3.05Å; R472-F488 PolarHBondContact NH1-O 3.45Å; R472-F488 VanDerWaalsContact NH1-O 3.16Å; R472-Y503 HydrophobicContact CB-CD2 3.86Å; R472-Y503 HydrophobicContact CB-CE2 3.68Å; R472-D505 IonicContact CZ-OD1 3.71Å; R472-D505 IonicContact CZ-OD2 2.88Å; R472-D505 IonicContact NH1-OD1 3.62Å; R472-D505 PolarHBondContact NH1-OD1 2.91Å; R472-D505 IonicContact NH1-OD2 3.85Å; R472-D505 IonicContact NH2-OD1 3.29Å; R472-D505 IonicContact NH2-OD2 2.78Å; R472-D505 PolarHBondContact NH2-OD2 3.07Å; R472-D505 VanDerWaalsContact NH2-OD2 3.14Å | ||
| 473 | R | 93.5 | Very high | 82.4 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 166.2 | 171.1 | 68 | 169.6 | -175.4 | -128.1 | 7.1 | 111.5 | F275 R291 D301 Y303 L475 G489 A490 | F275-R473 HydrophobicContact CB-CB 4.07Å; R291-R473 HydrophobicContact CB-CB 4.16Å; D301-R473 IonicContact OD2-NH1 3.68Å; Y303-R473 HydrophobicContact CD1-CB 4.2Å; Y303-R473 HydrophobicContact CD1-CG 4.36Å; Y303-R473 HydrophobicContact CE1-CB 4.05Å; Y303-R473 HydrophobicContact CE1-CG 3.77Å; Y303-R473 PolarHBondContact OH-NH1 3.04Å; R473-L475 VanDerWaalsContact C-N 3.26Å; R473-L475 PolarHBondContact O-N 3.38Å; R473-G489 VanDerWaalsContact O-CA 3.32Å; R473-G489 WeakPolarHBondContact O-CA 3.32Å; R473-A490 WeakPolarHBondContact CG-O 3.21Å; R473-A490 PolarHBondContact N-O 2.91Å; R473-A490 PolarHBondContact O-N 3.01Å |
| 474 | S | 93.7 | Very high | 85.5 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 55.3 | 43 | 170.6 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | F275 R539 R540 | F275-S474 PolarHBondContact O-N 3.41Å; S474-R539 CarbonylContact O-C 3.56Å; S474-R539 WeakPolarHBondContact O-CA 3.42Å; S474-R540 PolarHBondContact O-N 2.85Å |
| 475 | L | 94.9 | Very high | 88.3 | Confident | 18 Ų | 18 | 30.5 Ų | 30.5 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | trans | -92.4 | 165.3 | -178.4 | 59.8 | 153.7 | 0 | 0 | 0 | 111.2 | C277 F288 R472 R473 I486 | C277-L475 HydrophobicContact CB-CD1 4.08Å; C277-L475 HydrophobicContact CB-CG 4.35Å; F288-L475 HydrophobicContact CD1-CD1 3.86Å; F288-L475 HydrophobicContact CE1-CD1 4.18Å; R472-L475 HydrophobicContact CG-CB 4.34Å; R472-L475 HydrophobicContact CG-CD1 4.39Å; R472-L475 HydrophobicContact CG-CD2 4.32Å; R473-L475 VanDerWaalsContact C-N 3.26Å; R473-L475 PolarHBondContact O-N 3.38Å; L475-I486 HydrophobicContact CD1-CB 4.43Å; L475-I486 HydrophobicContact CD1-CD1 3.71Å; L475-I486 HydrophobicContact CD1-CG1 4.47Å; L475-I486 HydrophobicContact CD1-CG2 3.45Å; L475-I486 VanDerWaalsContact CD1-CG2 3.45Å | ||
| 476 | S | 94.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 150.6 | 167.1 | -43.9 | 0 | 0 | 0 | 0 | 110.3 | A487 A541 | S476-A487 PolarHBondContact N-O 3.37Å; S476-A487 PolarHBondContact O-N 2.81Å; S476-A541 PolarHBondContact OG-O 3.12Å |
| 477 | H | 95.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 19.2 Ų | 19.2 | 25% | 0.25 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.6 | 177.6 | 69.1 | 96.9 | 0 | 0 | 0 | 112 | C277 L278 Y485 I486 | C277-H477 HydrophobicContact CB-CB 3.81Å; C277-H477 WeakPolarHBondContact CB-CD2 3.46Å; L278-H477 PolarHBondContact O-CE1 2.95Å; H477-Y485 VanDerWaalsContact CA-O 3.25Å; H477-Y485 WeakPolarHBondContact CA-O 3.34Å; H477-Y485 WeakPolarHBondContact CB-O 3.5Å; H477-I486 HydrophobicContact CB-CD1 3.98Å |
| 478 | W | 94.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 163.2 | 166.9 | 61.7 | 96.2 | 0 | 0 | 0 | 108.8 | Y485 A487 V506 A543 L545 V568 F1248 | W478-Y485 AromaticContact CD1-CD2 3.54Å; W478-Y485 AromaticContact CD1-CG 3.89Å; W478-Y485 HydrophobicContact CD2-CG 4.26Å; W478-Y485 AromaticContact CE2-CD1 3.98Å; W478-Y485 AromaticContact CE2-CD2 3.98Å; W478-Y485 AromaticContact CE2-CG 3.49Å; W478-Y485 VanDerWaalsContact CE2-CG 3.49Å; W478-Y485 HydrophobicContact CG-CD2 4.38Å; W478-Y485 HydrophobicContact CG-CG 4.48Å; W478-Y485 AromaticContact CZ2-CD1 3.85Å; W478-Y485 HydrophobicContact CZ2-CD1 3.85Å; W478-Y485 AromaticContact CZ2-CG 3.79Å; W478-Y485 HydrophobicContact CZ2-CG 3.79Å; W478-Y485 PolarHBondContact N-O 3.37Å; W478-Y485 AromaticContact NE1-CD1 3.81Å; W478-Y485 AromaticContact NE1-CD2 3.23Å; W478-Y485 AromaticContact NE1-CE2 3.85Å; W478-Y485 AromaticContact NE1-CG 3.21Å; W478-Y485 WeakPolarHBondContact O-CB 3.32Å; W478-Y485 PolarHBondContact O-N 2.6Å; W478-A487 HydrophobicContact CH2-CB 3.89Å; W478-A487 HydrophobicContact CZ3-CB 3.68Å; W478-V506 HydrophobicContact CH2-CG1 3.91Å; W478-V506 HydrophobicContact CZ2-CG1 4.3Å; W478-A543 HydrophobicContact CE3-CB 3.55Å; W478-A543 HydrophobicContact CZ3-CB 3.81Å; W478-L545 HydrophobicContact CB-CB 4.38Å; W478-V568 HydrophobicContact CD2-CG1 3.94Å; W478-V568 HydrophobicContact CD2-CG2 4.05Å; W478-V568 HydrophobicContact CE3-CG1 3.93Å; W478-V568 HydrophobicContact CG-CG1 4.48Å; W478-V568 HydrophobicContact CG-CG2 4.16Å; W478-V568 HydrophobicContact CH2-CG1 4.44Å; W478-V568 HydrophobicContact CZ2-CG1 4.45Å; W478-V568 HydrophobicContact CZ2-CG2 4.24Å; W478-V568 HydrophobicContact CZ3-CG1 4.19Å; W478-F1248 AromaticContact NE1-CZ 3.95Å |
| 479 | S | 92.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 11% | 0.105 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.7 | 171.5 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | S280 N483 L545 | S280-S479 PolarHBondContact O-OG 2.87Å; S479-N483 CarbonylContact C-O 3.56Å; S479-N483 VanDerWaalsContact CA-O 3.3Å; S479-N483 WeakPolarHBondContact CA-O 3.16Å; S479-L545 VanDerWaalsContact O-CD2 3.23Å; S479-L545 WeakPolarHBondContact O-CD2 3.08Å |
| 480 | Y | 89.1 | Confident | 91.9 | Very high | 51 Ų | 51 | 14.8 Ų | 14.8 | 20% | 0.2 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 128.8 | 173.7 | -179.1 | -118.4 | 0 | 0 | 0 | 111.1 | E364 G482 N483 L545 V547 P566 F1248 | E364-Y480 HydrophobicContact CG-CD2 4.38Å; E364-Y480 WeakPolarHBondContact OE1-CA 3.15Å; E364-Y480 WeakPolarHBondContact OE1-CD2 3.31Å; Y480-G482 PolarHBondContact O-N 3.39Å; Y480-N483 PolarHBondContact N-O 3.08Å; Y480-N483 WeakPolarHBondContact O-CB 3.28Å; Y480-N483 PolarHBondContact O-N 3.05Å; Y480-L545 HydrophobicContact CD2-CD2 4.1Å; Y480-L545 HydrophobicContact CG-CD2 4.41Å; Y480-V547 HydrophobicContact CD2-CG2 4.44Å; Y480-V547 HydrophobicContact CE2-CG2 4.25Å; Y480-P566 HydrophobicContact CE1-CB 4.33Å; Y480-P566 HydrophobicContact CE1-CG 3.95Å; Y480-P566 HydrophobicContact CE2-CB 4.39Å; Y480-P566 HydrophobicContact CE2-CG 4.06Å; Y480-P566 VanDerWaalsContact OH-CG 3.3Å; Y480-P566 WeakPolarHBondContact OH-CG 3.39Å; Y480-F1248 HydrophobicContact CD1-CE1 4.37Å; Y480-F1248 HydrophobicContact CD1-CE2 4.48Å; Y480-F1248 HydrophobicContact CD1-CZ 4.25Å |
| 481 | N | 85.2 | Confident | 91.7 | Very high | 73 Ų | 73 | 14.3 Ų | 14.3 | 39% | 0.39 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 60.9 | 167.1 | -171.2 | 29.8 | 0 | 0 | 0 | 113.6 | E364 N483 | E364-N481 PolarHBondContact OE1-N 3.01Å; N481-N483 PolarHBondContact O-N 3.07Å; N481-N483 PolarHBondContact O-ND2 2.83Å |
| 482 | G | 85.6 | Confident | 91.3 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 12% | 0.124 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 7.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | H281 Y480 L511 | H281-G482 WeakPolarHBondContact NE2-CA 3.48Å; H281-G482 PolarHBondContact NE2-N 3.25Å; Y480-G482 PolarHBondContact O-N 3.39Å; G482-L511 VanDerWaalsContact O-CB 3.3Å; G482-L511 WeakPolarHBondContact O-CB 3.46Å; G482-L511 WeakPolarHBondContact O-CG 2.95Å; G482-L511 PolarHBondContact O-N 2.97Å |
| 483 | N | 92.8 | Very high | 90.3 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.3 | 178.6 | -60.9 | -84.4 | 0 | 0 | 0 | 111.9 | S479 Y480 N481 Y485 R508 F509 N510 | S479-N483 CarbonylContact C-O 3.56Å; S479-N483 VanDerWaalsContact CA-O 3.3Å; S479-N483 WeakPolarHBondContact CA-O 3.16Å; Y480-N483 PolarHBondContact N-O 3.08Å; Y480-N483 WeakPolarHBondContact O-CB 3.28Å; Y480-N483 PolarHBondContact O-N 3.05Å; N481-N483 PolarHBondContact O-N 3.07Å; N481-N483 PolarHBondContact O-ND2 2.83Å; N483-Y485 HydrophobicContact CB-CD2 4.39Å; N483-Y485 HydrophobicContact CB-CE2 3.61Å; N483-R508 HydrophobicContact CB-CG 3.78Å; N483-F509 CarbonylContact C-O 3.55Å; N483-F509 VanDerWaalsContact CA-O 3.23Å; N483-F509 WeakPolarHBondContact CA-O 3.49Å; N483-N510 WeakPolarHBondContact OD1-CA 3.48Å |
| 484 | L | 95.4 | Very high | 89 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.8 | 169.1 | -46.6 | 179.1 | 0 | 0 | 0 | 108.9 | T279 H281 F286 L307 R508 F509 L511 | T279-L484 HydrophobicContact CG2-CD2 4Å; H281-L484 HydrophobicContact CB-CD2 3.89Å; F286-L484 HydrophobicContact CB-CD1 3.95Å; F286-L484 HydrophobicContact CD1-CD1 4.08Å; F286-L484 HydrophobicContact CD2-CD1 3.79Å; F286-L484 HydrophobicContact CD2-CD2 3.99Å; F286-L484 HydrophobicContact CE2-CD1 4.29Å; F286-L484 HydrophobicContact CE2-CD2 4.25Å; F286-L484 HydrophobicContact CG-CD1 3.66Å; L307-L484 HydrophobicContact CD1-CD1 4.11Å; L307-L484 HydrophobicContact CD2-CD1 4.12Å; L484-R508 CarbonylContact O-C 3.52Å; L484-R508 WeakPolarHBondContact O-CA 3.22Å; L484-F509 HydrophobicContact CB-CB 4.21Å; L484-F509 HydrophobicContact CD1-CD1 4.25Å; L484-F509 PolarHBondContact N-O 3.26Å; L484-F509 PolarHBondContact O-N 3.25Å; L484-L511 HydrophobicContact CD1-CD2 4.02Å; L484-L511 HydrophobicContact CD2-CD1 4.42Å; L484-L511 HydrophobicContact CG-CD2 4.1Å; L484-L511 HydrophobicContact CG-CG 4.39Å |
| 485 | Y | 95.3 | Very high | 87.4 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137 | -179.4 | -63.4 | -99.2 | 0 | 0 | 0 | 110.7 | H477 W478 N483 W507 R508 L519 F1248 | H477-Y485 VanDerWaalsContact CA-O 3.25Å; H477-Y485 WeakPolarHBondContact CA-O 3.34Å; H477-Y485 WeakPolarHBondContact CB-O 3.5Å; W478-Y485 AromaticContact CD1-CD2 3.54Å; W478-Y485 AromaticContact CD1-CG 3.89Å; W478-Y485 HydrophobicContact CD2-CG 4.26Å; W478-Y485 AromaticContact CE2-CD1 3.98Å; W478-Y485 AromaticContact CE2-CD2 3.98Å; W478-Y485 AromaticContact CE2-CG 3.49Å; W478-Y485 VanDerWaalsContact CE2-CG 3.49Å; W478-Y485 HydrophobicContact CG-CD2 4.38Å; W478-Y485 HydrophobicContact CG-CG 4.48Å; W478-Y485 AromaticContact CZ2-CD1 3.85Å; W478-Y485 HydrophobicContact CZ2-CD1 3.85Å; W478-Y485 AromaticContact CZ2-CG 3.79Å; W478-Y485 HydrophobicContact CZ2-CG 3.79Å; W478-Y485 PolarHBondContact N-O 3.37Å; W478-Y485 AromaticContact NE1-CD1 3.81Å; W478-Y485 AromaticContact NE1-CD2 3.23Å; W478-Y485 AromaticContact NE1-CE2 3.85Å; W478-Y485 AromaticContact NE1-CG 3.21Å; W478-Y485 WeakPolarHBondContact O-CB 3.32Å; W478-Y485 PolarHBondContact O-N 2.6Å; N483-Y485 HydrophobicContact CB-CD2 4.39Å; N483-Y485 HydrophobicContact CB-CE2 3.61Å; Y485-W507 CarbonylContact C-O 3.5Å; Y485-W507 VanDerWaalsContact CA-O 3.28Å; Y485-W507 WeakPolarHBondContact CA-O 3.33Å; Y485-R508 HydrophobicContact CD1-CB 3.99Å; Y485-R508 HydrophobicContact CD1-CG 4.06Å; Y485-R508 HydrophobicContact CE1-CB 3.83Å; Y485-R508 HydrophobicContact CE1-CG 3.58Å; Y485-R508 HydrophobicContact CE2-CG 4.42Å; Y485-R508 WeakPolarHBondContact OH-CD 3.26Å; Y485-L519 HydrophobicContact CD1-CD1 3.96Å; Y485-L519 HydrophobicContact CE1-CD1 3.9Å; Y485-F1248 HydrophobicContact CE1-CE1 4.39Å |
| 486 | I | 95.3 | Very high | 85.4 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.5 | 176.6 | -61.4 | -61.1 | 0 | 0 | 0 | 108 | C277 F288 L475 H477 V506 W507 W516 | C277-I486 WeakPolarHBondContact SG-CD1 3.48Å; F288-I486 HydrophobicContact CB-CD1 4.39Å; F288-I486 HydrophobicContact CD1-CD1 3.84Å; F288-I486 HydrophobicContact CD1-CG1 3.94Å; F288-I486 HydrophobicContact CD1-CG2 4.16Å; F288-I486 HydrophobicContact CE1-CG1 4.28Å; F288-I486 HydrophobicContact CE1-CG2 3.83Å; F288-I486 HydrophobicContact CG-CD1 4.32Å; F288-I486 HydrophobicContact CG-CG1 4.4Å; L475-I486 HydrophobicContact CD1-CB 4.43Å; L475-I486 HydrophobicContact CD1-CD1 3.71Å; L475-I486 HydrophobicContact CD1-CG1 4.47Å; L475-I486 HydrophobicContact CD1-CG2 3.45Å; L475-I486 VanDerWaalsContact CD1-CG2 3.45Å; H477-I486 HydrophobicContact CB-CD1 3.98Å; I486-V506 CarbonylContact O-C 3.59Å; I486-V506 VanDerWaalsContact O-CA 3.31Å; I486-V506 WeakPolarHBondContact O-CA 3.44Å; I486-W507 PolarHBondContact N-O 2.97Å; I486-W507 PolarHBondContact O-N 2.81Å; I486-W516 HydrophobicContact CB-CH2 4.46Å; I486-W516 HydrophobicContact CB-CZ3 4.42Å; I486-W516 HydrophobicContact CG1-CH2 3.64Å; I486-W516 HydrophobicContact CG1-CZ3 4.02Å |
| 487 | A | 91.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 145.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S476 W478 V506 | S476-A487 PolarHBondContact N-O 3.37Å; S476-A487 PolarHBondContact O-N 2.81Å; W478-A487 HydrophobicContact CH2-CB 3.89Å; W478-A487 HydrophobicContact CZ3-CB 3.68Å; A487-V506 HydrophobicContact CB-CB 4.33Å; A487-V506 HydrophobicContact CB-CG1 4.1Å; A487-V506 HydrophobicContact CB-CG2 3.66Å |
| 488 | F | 90.5 | Very high | 82 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | 57.5 | -153.3 | 173 | -46.2 | -65.8 | 0 | 0 | 0 | 112.7 | W4 R472 Y503 D505 P535 R538 V570 | W4-F488 HydrophobicContact CZ2-CZ 4.47Å; R472-F488 WeakPolarHBondContact CD-O 3.05Å; R472-F488 PolarHBondContact NH1-O 3.45Å; R472-F488 VanDerWaalsContact NH1-O 3.16Å; F488-Y503 WeakPolarHBondContact CA-O 3.35Å; F488-D505 PolarHBondContact N-O 3.1Å; F488-P535 HydrophobicContact CE1-CB 3.93Å; F488-P535 HydrophobicContact CZ-CB 3.69Å; F488-P535 HydrophobicContact CZ-CG 4.1Å; F488-R538 HydrophobicContact CB-CG 4.12Å; F488-R538 VanDerWaalsContact CB-O 3.29Å; F488-R538 WeakPolarHBondContact CB-O 3.11Å; F488-R538 HydrophobicContact CD1-CG 3.9Å; F488-R538 HydrophobicContact CD2-CG 4.25Å; F488-R538 HydrophobicContact CE1-CG 4.39Å; F488-R538 HydrophobicContact CG-CG 3.84Å; F488-V570 HydrophobicContact CE2-CG1 3.96Å; F488-V570 HydrophobicContact CE2-CG2 4.17Å | ||
| 489 | G | 91 | Very high | 80.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 107.1 | -180 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | R473 Y503 R538 | R473-G489 VanDerWaalsContact O-CA 3.32Å; R473-G489 WeakPolarHBondContact O-CA 3.32Å; G489-Y503 PolarHBondContact O-N 2.67Å; G489-R538 PolarHBondContact N-O 3.37Å | ||
| 490 | A | 87.8 | Confident | 79.8 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R473 L501 R539 | R473-A490 WeakPolarHBondContact CG-O 3.21Å; R473-A490 PolarHBondContact N-O 2.91Å; R473-A490 PolarHBondContact O-N 3.01Å; A490-L501 CarbonylContact C-O 3.48Å; A490-L501 WeakPolarHBondContact CA-O 3.27Å; A490-L501 WeakPolarHBondContact CB-O 3.26Å; A490-R539 HydrophobicContact CB-CB 3.86Å; A490-R539 HydrophobicContact CB-CG 4.31Å |
| 491 | I | 85.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.7 | 159.4 | 59.5 | 148.8 | 0 | 0 | 0 | 109.2 | Y303 P431 L434 L435 G471 Q500 L501 Y503 | Y303-I491 HydrophobicContact CD1-CG2 4Å; Y303-I491 HydrophobicContact CD2-CB 4.24Å; Y303-I491 HydrophobicContact CD2-CG2 3.73Å; Y303-I491 HydrophobicContact CE1-CB 4.36Å; Y303-I491 HydrophobicContact CE1-CG2 4.07Å; Y303-I491 HydrophobicContact CE2-CB 3.85Å; Y303-I491 HydrophobicContact CE2-CG2 3.84Å; Y303-I491 HydrophobicContact CG-CG2 3.82Å; P431-I491 HydrophobicContact CB-CD1 4.11Å; L434-I491 HydrophobicContact CB-CD1 4.29Å; L434-I491 HydrophobicContact CD2-CB 4.46Å; L434-I491 HydrophobicContact CD2-CD1 3.42Å; L434-I491 VanDerWaalsContact CD2-CD1 3.42Å; L434-I491 HydrophobicContact CD2-CG1 4.03Å; L434-I491 HydrophobicContact CD2-CG2 3.83Å; L434-I491 HydrophobicContact CG-CD1 4.35Å; L435-I491 HydrophobicContact CD2-CD1 4.02Å; L435-I491 HydrophobicContact CG-CD1 3.97Å; G471-I491 WeakPolarHBondContact O-CG2 3.38Å; I491-Q500 WeakPolarHBondContact O-CA 3.44Å; I491-L501 HydrophobicContact CD1-CB 4.06Å; I491-L501 HydrophobicContact CD1-CD2 4.18Å; I491-L501 HydrophobicContact CG1-CB 3.53Å; I491-L501 HydrophobicContact CG1-CD2 4.01Å; I491-L501 HydrophobicContact CG1-CG 4.38Å; I491-L501 PolarHBondContact N-O 2.66Å; I491-L501 PolarHBondContact O-N 3.26Å; I491-Y503 HydrophobicContact CG2-CE2 4.27Å |
| 492 | R | 80.3 | Confident | 79.2 | Confident | 92 Ų | 92 | 32.8 Ų | 32.8 | 35% | 0.347 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.9 | 169.8 | 178 | 179.5 | -175.2 | -166.9 | 5 | 107.8 | Y303 S498 L499 Q500 | Y303-R492 PolarHBondContact OH-N 2.65Å; Y303-R492 PolarHBondContact OH-O 2.91Å; R492-S498 PolarHBondContact NE-OG 3.1Å; R492-L499 WeakPolarHBondContact CA-O 3.41Å; R492-Q500 HydrophobicContact CB-CG 4.2Å; R492-Q500 HydrophobicContact CG-CG 3.99Å |
| 493 | S | 72.2 | Confident | 79.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -86.6 | 141.8 | 162.7 | 177 | 0 | 0 | 0 | 0 | 109 | E432 T495 S498 L499 | E432-S493 PolarHBondContact OE1-OG 2.91Å; S493-T495 PolarHBondContact OG-N 2.85Å; S493-T495 PolarHBondContact OG-OG1 2.77Å; S493-S498 VanDerWaalsContact O-CA 3.31Å; S493-S498 WeakPolarHBondContact O-CA 3.39Å; S493-S498 PolarHBondContact O-OG 3.09Å; S493-S498 VanDerWaalsContact O-OG 3.06Å; S493-L499 PolarHBondContact N-O 2.88Å | ||
| 494 | Q | 65.7 | Low | 78.6 | Confident | 94 Ų | 94 | 34.5 Ų | 34.5 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | trans | -102.4 | -7.3 | 176.3 | -57.2 | -172 | 9.2 | 0 | 0 | 111.8 | S299 D301 G496 | S299-Q494 PolarHBondContact O-OE1 2.88Å; D301-Q494 PolarHBondContact OD2-NE2 2.96Å; Q494-G496 PolarHBondContact O-N 2.81Å | ||
| 495 | T | 60 | Low | 78.1 | Confident | 83 Ų | 83 | 35.2 Ų | 35.2 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -83.5 | 110.6 | -173.9 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | E432 S493 R497 | E432-T495 HydrophobicContact CG-CG2 4.27Å; E432-T495 WeakPolarHBondContact OE1-CG2 2.88Å; E432-T495 PolarHBondContact OE1-OG1 2.97Å; S493-T495 PolarHBondContact OG-N 2.85Å; S493-T495 PolarHBondContact OG-OG1 2.77Å; T495-R497 PolarHBondContact O-N 3.33Å |
| 496 | G | 52.2 | Low | 77.8 | Confident | 89 Ų | 89 | 34.9 Ų | 34.9 | 92% | 0.918 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 64.8 | -35.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q494 | Q494-G496 PolarHBondContact O-N 2.81Š|
| 497 | R | 56.5 | Low | 77.7 | Confident | 170 Ų | 170 | 35.4 Ų | 35.4 | 64% | 0.642 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -139.3 | 106.6 | 170.6 | -66.4 | -179.3 | 177.7 | -179.6 | 1.9 | 105.1 | T495 L499 | T495-R497 PolarHBondContact O-N 3.33Å; R497-L499 PolarHBondContact O-N 3.37Å |
| 498 | S | 62.9 | Low | 77.8 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | trans | -63.7 | 85.3 | -177.7 | -165.9 | 0 | 0 | 0 | 0 | 111 | R492 S493 G1233 | R492-S498 PolarHBondContact NE-OG 3.1Å; S493-S498 VanDerWaalsContact O-CA 3.31Å; S493-S498 WeakPolarHBondContact O-CA 3.39Å; S493-S498 PolarHBondContact O-OG 3.09Å; S493-S498 VanDerWaalsContact O-OG 3.06Å; S498-G1233 WeakPolarHBondContact O-CA 3.34Å; S498-G1233 PolarHBondContact O-N 2.86Å; S498-G1233 VanDerWaalsContact O-N 3.13Å | ||
| 499 | L | 67.3 | Low | 78.1 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | trans | -82.2 | 128.2 | -179.2 | -77.8 | 162.7 | 0 | 0 | 0 | 107.8 | L435 R492 S493 R497 | L435-L499 HydrophobicContact CD1-CB 4Å; L435-L499 HydrophobicContact CD1-CD1 4.25Å; R492-L499 WeakPolarHBondContact CA-O 3.41Å; S493-L499 PolarHBondContact N-O 2.88Å; R497-L499 PolarHBondContact O-N 3.37Å | ||
| 500 | Q | 74.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.8 | 174.3 | -62.4 | -176.1 | 17.6 | 0 | 0 | 108.7 | I491 R492 S1231 | I491-Q500 WeakPolarHBondContact O-CA 3.44Å; R492-Q500 HydrophobicContact CB-CG 4.2Å; R492-Q500 HydrophobicContact CG-CG 3.99Å; Q500-S1231 PolarHBondContact N-O 2.93Å; Q500-S1231 VanDerWaalsContact N-O 3.09Å; Q500-S1231 PolarHBondContact O-N 3.08Å; Q500-S1231 PolarHBondContact O-OG 2.74Å |
| 501 | L | 78.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127 | 172.2 | 179.8 | 80 | 0 | 0 | 0 | 108.2 | L435 I438 A490 I491 Y503 V1229 L1230 | L435-L501 HydrophobicContact CD2-CB 4.46Å; I438-L501 HydrophobicContact CD1-CD2 3.42Å; I438-L501 VanDerWaalsContact CD1-CD2 3.42Å; A490-L501 CarbonylContact C-O 3.48Å; A490-L501 WeakPolarHBondContact CA-O 3.27Å; A490-L501 WeakPolarHBondContact CB-O 3.26Å; I491-L501 HydrophobicContact CD1-CB 4.06Å; I491-L501 HydrophobicContact CD1-CD2 4.18Å; I491-L501 HydrophobicContact CG1-CB 3.53Å; I491-L501 HydrophobicContact CG1-CD2 4.01Å; I491-L501 HydrophobicContact CG1-CG 4.38Å; I491-L501 PolarHBondContact N-O 2.66Å; I491-L501 PolarHBondContact O-N 3.26Å; L501-Y503 HydrophobicContact CD2-CD1 4.5Å; L501-Y503 HydrophobicContact CD2-CE1 3.72Å; L501-Y503 HydrophobicContact CD2-CE2 4.3Å; L501-V1229 WeakPolarHBondContact CA-O 3.33Å; L501-L1230 HydrophobicContact CB-CD2 4.21Å; L501-L1230 HydrophobicContact CD1-CD2 3.55Å; L501-L1230 HydrophobicContact CD1-CG 3.65Å; L501-L1230 HydrophobicContact CG-CD2 4.45Å |
| 502 | H | 82.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.9 | 173.7 | -67.3 | 80.6 | 0 | 0 | 0 | 110.5 | A537 P576 G1228 V1229 | H502-A537 HydrophobicContact CB-CB 3.93Å; H502-P576 HydrophobicContact CB-CG 4.12Å; H502-G1228 CarbonylContact O-C 3.51Å; H502-G1228 WeakPolarHBondContact O-CA 3.39Å; H502-V1229 PolarHBondContact N-O 2.89Å; H502-V1229 PolarHBondContact O-N 2.89Å |
| 503 | Y | 85.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | trans | -83.4 | 141.6 | 177.3 | -69.5 | -68.1 | 0 | 0 | 0 | 111.3 | L434 R472 F488 G489 I491 L501 D505 A537 R538 I1227 | L434-Y503 WeakPolarHBondContact CD2-OH 3.36Å; R472-Y503 HydrophobicContact CB-CD2 3.86Å; R472-Y503 HydrophobicContact CB-CE2 3.68Å; F488-Y503 WeakPolarHBondContact CA-O 3.35Å; G489-Y503 PolarHBondContact O-N 2.67Å; I491-Y503 HydrophobicContact CG2-CE2 4.27Å; L501-Y503 HydrophobicContact CD2-CD1 4.5Å; L501-Y503 HydrophobicContact CD2-CE1 3.72Å; L501-Y503 HydrophobicContact CD2-CE2 4.3Å; Y503-D505 WeakPolarHBondContact CB-OD1 3.28Å; Y503-A537 WeakPolarHBondContact O-CA 3.47Å; Y503-R538 PolarHBondContact O-N 3.09Å; Y503-I1227 HydrophobicContact CE1-CG2 4.35Å | ||
| 504 | Q | 80.5 | Confident | 79.7 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | trans | -117.3 | -2.5 | 173 | -159.9 | 178.3 | 12.6 | 0 | 0 | 112 | P535 A537 | Q504-P535 PolarHBondContact NE2-O 2.92Å; Q504-A537 HydrophobicContact CB-CB 3.83Å; Q504-A537 HydrophobicContact CG-CB 4.27Å | ||
| 505 | D | 86.1 | Confident | 81 | Confident | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | trans | -78.1 | 159.1 | -176.9 | 58.8 | -4.8 | 0 | 0 | 0 | 111.5 | R472 F488 Y503 W507 | R472-D505 IonicContact CZ-OD1 3.71Å; R472-D505 IonicContact CZ-OD2 2.88Å; R472-D505 IonicContact NH1-OD1 3.62Å; R472-D505 PolarHBondContact NH1-OD1 2.91Å; R472-D505 IonicContact NH1-OD2 3.85Å; R472-D505 IonicContact NH2-OD1 3.29Å; R472-D505 IonicContact NH2-OD2 2.78Å; R472-D505 PolarHBondContact NH2-OD2 3.07Å; R472-D505 VanDerWaalsContact NH2-OD2 3.14Å; F488-D505 PolarHBondContact N-O 3.1Å; Y503-D505 WeakPolarHBondContact CB-OD1 3.28Å; D505-W507 VanDerWaalsContact CG-NE1 3.3Å; D505-W507 PolarHBondContact OD2-NE1 3.16Å | ||
| 506 | V | 89.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.7 | 169 | -177.8 | 0 | 0 | 0 | 0 | 108 | W478 I486 A487 L519 Y521 | W478-V506 HydrophobicContact CH2-CG1 3.91Å; W478-V506 HydrophobicContact CZ2-CG1 4.3Å; I486-V506 CarbonylContact O-C 3.59Å; I486-V506 VanDerWaalsContact O-CA 3.31Å; I486-V506 WeakPolarHBondContact O-CA 3.44Å; A487-V506 HydrophobicContact CB-CB 4.33Å; A487-V506 HydrophobicContact CB-CG1 4.1Å; A487-V506 HydrophobicContact CB-CG2 3.66Å; V506-L519 HydrophobicContact CB-CD1 4.46Å; V506-L519 HydrophobicContact CG1-CD1 3.83Å; V506-L519 PolarHBondContact O-N 2.86Å; V506-Y521 HydrophobicContact CB-CE2 4.45Å; V506-Y521 WeakPolarHBondContact CB-OH 3.47Å; V506-Y521 HydrophobicContact CG2-CE2 4.19Å; V506-Y521 WeakPolarHBondContact CG2-OH 3.31Å |
| 507 | W | 92.4 | Very high | 84.5 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.7 | -176.1 | -71.5 | 82.4 | 0 | 0 | 0 | 109.8 | P469 Y485 I486 D505 W516 Q518 | P469-W507 HydrophobicContact CB-CB 4.36Å; P469-W507 HydrophobicContact CB-CD2 3.89Å; P469-W507 HydrophobicContact CB-CG 3.76Å; P469-W507 HydrophobicContact CG-CB 4.28Å; P469-W507 HydrophobicContact CG-CD2 4.23Å; P469-W507 HydrophobicContact CG-CG 4.11Å; Y485-W507 CarbonylContact C-O 3.5Å; Y485-W507 VanDerWaalsContact CA-O 3.28Å; Y485-W507 WeakPolarHBondContact CA-O 3.33Å; I486-W507 PolarHBondContact N-O 2.97Å; I486-W507 PolarHBondContact O-N 2.81Å; D505-W507 VanDerWaalsContact CG-NE1 3.3Å; D505-W507 PolarHBondContact OD2-NE1 3.16Å; W507-W516 HydrophobicContact CB-CE3 3.72Å; W507-W516 HydrophobicContact CB-CZ3 3.8Å; W507-W516 HydrophobicContact CE3-CB 3.99Å; W507-W516 HydrophobicContact CZ3-CB 4.21Å; W507-Q518 HydrophobicContact CD2-CB 3.9Å; W507-Q518 HydrophobicContact CD2-CG 4.15Å; W507-Q518 HydrophobicContact CE3-CB 3.84Å; W507-Q518 HydrophobicContact CH2-CB 3.83Å; W507-Q518 HydrophobicContact CH2-CG 4.45Å; W507-Q518 HydrophobicContact CZ2-CB 3.86Å; W507-Q518 HydrophobicContact CZ2-CG 3.97Å; W507-Q518 HydrophobicContact CZ3-CB 3.82Å |
| 508 | R | 94.3 | Very high | 86 | Confident | 62 Ų | 62 | 36 Ų | 36 | 23% | 0.234 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.1 | 173.9 | -176.1 | -178.8 | 69.6 | -164.4 | 1.5 | 109.4 | N483 L484 Y485 W516 I517 L519 | N483-R508 HydrophobicContact CB-CG 3.78Å; L484-R508 CarbonylContact O-C 3.52Å; L484-R508 WeakPolarHBondContact O-CA 3.22Å; Y485-R508 HydrophobicContact CD1-CB 3.99Å; Y485-R508 HydrophobicContact CD1-CG 4.06Å; Y485-R508 HydrophobicContact CE1-CB 3.83Å; Y485-R508 HydrophobicContact CE1-CG 3.58Å; Y485-R508 HydrophobicContact CE2-CG 4.42Å; Y485-R508 WeakPolarHBondContact OH-CD 3.26Å; R508-W516 CarbonylContact O-C 3.49Å; R508-W516 WeakPolarHBondContact O-CA 3.44Å; R508-I517 PolarHBondContact N-O 3.38Å; R508-I517 PolarHBondContact O-N 3.22Å; R508-L519 HydrophobicContact CB-CD1 4.38Å; R508-L519 HydrophobicContact CB-CD2 4Å; R508-L519 HydrophobicContact CB-CG 4.26Å |
| 509 | F | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.4 | 168.6 | -172.2 | -104 | 0 | 0 | 0 | 109.7 | L307 H423 N483 L484 L511 L514 S515 W516 | L307-F509 HydrophobicContact CD2-CD1 3.39Å; L307-F509 HydrophobicContact CD2-CD2 3.99Å; L307-F509 HydrophobicContact CD2-CE1 3.34Å; L307-F509 HydrophobicContact CD2-CE2 3.95Å; L307-F509 HydrophobicContact CD2-CG 3.71Å; L307-F509 HydrophobicContact CD2-CZ 3.62Å; H423-F509 HydrophobicContact CB-CE2 3.83Å; H423-F509 HydrophobicContact CB-CZ 4.21Å; N483-F509 CarbonylContact C-O 3.55Å; N483-F509 VanDerWaalsContact CA-O 3.23Å; N483-F509 WeakPolarHBondContact CA-O 3.49Å; L484-F509 HydrophobicContact CB-CB 4.21Å; L484-F509 HydrophobicContact CD1-CD1 4.25Å; L484-F509 PolarHBondContact N-O 3.26Å; L484-F509 PolarHBondContact O-N 3.25Å; F509-L511 HydrophobicContact CD1-CD2 3.98Å; F509-L511 HydrophobicContact CE1-CD2 3.98Å; F509-L514 HydrophobicContact CE1-CD2 4.12Å; F509-L514 WeakPolarHBondContact CE2-O 3.3Å; F509-L514 VanDerWaalsContact CZ-CA 3.47Å; F509-L514 HydrophobicContact CZ-CB 4.05Å; F509-L514 HydrophobicContact CZ-CD2 4.06Å; F509-S515 WeakPolarHBondContact CA-O 3.49Å; F509-W516 HydrophobicContact CB-CD2 3.81Å; F509-W516 HydrophobicContact CB-CE3 3.62Å; F509-W516 HydrophobicContact CB-CH2 3.72Å; F509-W516 HydrophobicContact CB-CZ2 3.9Å; F509-W516 HydrophobicContact CB-CZ3 3.59Å; F509-W516 AromaticContact CD2-CD1 3.62Å; F509-W516 AromaticContact CD2-CD2 3.64Å; F509-W516 HydrophobicContact CD2-CD2 3.64Å; F509-W516 AromaticContact CD2-CE2 3.5Å; F509-W516 HydrophobicContact CD2-CE3 4.33Å; F509-W516 AromaticContact CD2-CG 3.73Å; F509-W516 HydrophobicContact CD2-CG 3.73Å; F509-W516 HydrophobicContact CD2-CZ2 4.1Å; F509-W516 AromaticContact CD2-NE1 3.47Å; F509-W516 AromaticContact CE2-CD1 3.99Å; F509-W516 HydrophobicContact CE2-CG 4.49Å; F509-W516 AromaticContact CE2-NE1 3.88Å; F509-W516 HydrophobicContact CG-CD2 4.19Å; F509-W516 HydrophobicContact CG-CE3 4.48Å; F509-W516 HydrophobicContact CG-CZ2 4.21Å |
| 510 | N | 93 | Very high | 87.2 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.9 | 175.8 | 179 | -31.1 | 0 | 0 | 0 | 109.8 | N483 S512 T513 L514 S515 | N483-N510 WeakPolarHBondContact OD1-CA 3.48Å; N510-S512 VanDerWaalsContact C-N 3.26Å; N510-S512 PolarHBondContact O-N 2.96Å; N510-S512 WeakPolarHBondContact OD1-CA 3.38Å; N510-S512 WeakPolarHBondContact OD1-CB 3.17Å; N510-S512 PolarHBondContact OD1-N 2.95Å; N510-S512 PolarHBondContact OD1-OG 2.98Å; N510-T513 VanDerWaalsContact CB-OG1 3.32Å; N510-T513 WeakPolarHBondContact CB-OG1 3.44Å; N510-T513 PolarHBondContact OD1-N 2.61Å; N510-L514 VanDerWaalsContact O-CA 3.3Å; N510-L514 WeakPolarHBondContact O-CA 3.46Å; N510-L514 PolarHBondContact O-N 3.14Å; N510-S515 PolarHBondContact N-O 2.72Å |
| 511 | L | 89.2 | Confident | 86.8 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.5 | -177.2 | -68.5 | 178.2 | 0 | 0 | 0 | 114 | F286 G482 L484 F509 L514 | F286-L511 HydrophobicContact CE1-CD2 3.84Å; F286-L511 HydrophobicContact CE2-CD1 4.17Å; F286-L511 HydrophobicContact CE2-CD2 4.03Å; F286-L511 HydrophobicContact CZ-CD1 4.13Å; F286-L511 HydrophobicContact CZ-CD2 3.46Å; F286-L511 VanDerWaalsContact CZ-CD2 3.46Å; F286-L511 HydrophobicContact CZ-CG 4.47Å; G482-L511 VanDerWaalsContact O-CB 3.3Å; G482-L511 WeakPolarHBondContact O-CB 3.46Å; G482-L511 WeakPolarHBondContact O-CG 2.95Å; G482-L511 PolarHBondContact O-N 2.97Å; L484-L511 HydrophobicContact CD1-CD2 4.02Å; L484-L511 HydrophobicContact CD2-CD1 4.42Å; L484-L511 HydrophobicContact CG-CD2 4.1Å; L484-L511 HydrophobicContact CG-CG 4.39Å; F509-L511 HydrophobicContact CD1-CD2 3.98Å; F509-L511 HydrophobicContact CE1-CD2 3.98Å; L511-L514 VanDerWaalsContact O-CD2 3.31Å; L511-L514 WeakPolarHBondContact O-CD2 3.41Å |
| 512 | S | 87.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 45 Ų | 45 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -41.2 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | N510 | N510-S512 VanDerWaalsContact C-N 3.26Å; N510-S512 PolarHBondContact O-N 2.96Å; N510-S512 WeakPolarHBondContact OD1-CA 3.38Å; N510-S512 WeakPolarHBondContact OD1-CB 3.17Å; N510-S512 PolarHBondContact OD1-N 2.95Å; N510-S512 PolarHBondContact OD1-OG 2.98Å |
| 513 | T | 91 | Very high | 83.5 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -9.1 | -179.4 | 61 | 0 | 0 | 0 | 0 | 113.3 | N510 S515 | N510-T513 VanDerWaalsContact CB-OG1 3.32Å; N510-T513 WeakPolarHBondContact CB-OG1 3.44Å; N510-T513 PolarHBondContact OD1-N 2.61Å; T513-S515 PolarHBondContact O-N 3.3Å; T513-S515 PolarHBondContact OG1-OG 2.82Å |
| 514 | L | 90.9 | Very high | 81.2 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.3 | -176.5 | -55.1 | 176.9 | 0 | 0 | 0 | 113.5 | R422 F509 N510 L511 | R422-L514 VanDerWaalsContact NH2-CD1 3.27Å; F509-L514 HydrophobicContact CE1-CD2 4.12Å; F509-L514 WeakPolarHBondContact CE2-O 3.3Å; F509-L514 VanDerWaalsContact CZ-CA 3.47Å; F509-L514 HydrophobicContact CZ-CB 4.05Å; F509-L514 HydrophobicContact CZ-CD2 4.06Å; N510-L514 VanDerWaalsContact O-CA 3.3Å; N510-L514 WeakPolarHBondContact O-CA 3.46Å; N510-L514 PolarHBondContact O-N 3.14Å; L511-L514 VanDerWaalsContact O-CD2 3.31Å; L511-L514 WeakPolarHBondContact O-CD2 3.41Å |
| 515 | S | 92.7 | Very high | 79.2 | Confident | 45 Ų | 45 | 57 Ų | 57 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.6 | -174.9 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | F509 N510 T513 | F509-S515 WeakPolarHBondContact CA-O 3.49Å; N510-S515 PolarHBondContact N-O 2.72Å; T513-S515 PolarHBondContact O-N 3.3Å; T513-S515 PolarHBondContact OG1-OG 2.82Å |
| 516 | W | 94 | Very high | 76.8 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 143.1 | 173.8 | -74 | 102.7 | 0 | 0 | 0 | 111.4 | F288 L307 H423 N467 P469 I486 W507 R508 F509 | F288-W516 HydrophobicContact CD2-CZ2 4.14Å; F288-W516 HydrophobicContact CE2-CZ2 4.23Å; L307-W516 HydrophobicContact CB-CZ2 4.35Å; L307-W516 HydrophobicContact CD1-CZ2 4.45Å; L307-W516 HydrophobicContact CD2-CZ2 4.24Å; H423-W516 AromaticContact CD2-CD1 3.73Å; H423-W516 AromaticContact CE1-CD1 3.69Å; H423-W516 AromaticContact CG-CD1 3.66Å; H423-W516 AromaticContact CG-NE1 3.66Å; H423-W516 AromaticContact ND1-CD1 3.62Å; H423-W516 AromaticContact ND1-NE1 3.67Å; H423-W516 AromaticContact NE2-CD1 3.73Å; N467-W516 PolarHBondContact ND2-O 3.06Å; N467-W516 WeakPolarHBondContact O-CB 3.46Å; P469-W516 VanDerWaalsContact CD-CD2 3.43Å; P469-W516 HydrophobicContact CG-CD2 3.96Å; P469-W516 HydrophobicContact CG-CE3 4.04Å; P469-W516 HydrophobicContact CG-CH2 4.19Å; P469-W516 HydrophobicContact CG-CZ2 4.11Å; P469-W516 HydrophobicContact CG-CZ3 4.14Å; I486-W516 HydrophobicContact CB-CH2 4.46Å; I486-W516 HydrophobicContact CB-CZ3 4.42Å; I486-W516 HydrophobicContact CG1-CH2 3.64Å; I486-W516 HydrophobicContact CG1-CZ3 4.02Å; W507-W516 HydrophobicContact CB-CE3 3.72Å; W507-W516 HydrophobicContact CB-CZ3 3.8Å; W507-W516 HydrophobicContact CE3-CB 3.99Å; W507-W516 HydrophobicContact CZ3-CB 4.21Å; R508-W516 CarbonylContact O-C 3.49Å; R508-W516 WeakPolarHBondContact O-CA 3.44Å; F509-W516 HydrophobicContact CB-CD2 3.81Å; F509-W516 HydrophobicContact CB-CE3 3.62Å; F509-W516 HydrophobicContact CB-CH2 3.72Å; F509-W516 HydrophobicContact CB-CZ2 3.9Å; F509-W516 HydrophobicContact CB-CZ3 3.59Å; F509-W516 AromaticContact CD2-CD1 3.62Å; F509-W516 AromaticContact CD2-CD2 3.64Å; F509-W516 HydrophobicContact CD2-CD2 3.64Å; F509-W516 AromaticContact CD2-CE2 3.5Å; F509-W516 HydrophobicContact CD2-CE3 4.33Å; F509-W516 AromaticContact CD2-CG 3.73Å; F509-W516 HydrophobicContact CD2-CG 3.73Å; F509-W516 HydrophobicContact CD2-CZ2 4.1Å; F509-W516 AromaticContact CD2-NE1 3.47Å; F509-W516 AromaticContact CE2-CD1 3.99Å; F509-W516 HydrophobicContact CE2-CG 4.49Å; F509-W516 AromaticContact CE2-NE1 3.88Å; F509-W516 HydrophobicContact CG-CD2 4.19Å; F509-W516 HydrophobicContact CG-CE3 4.48Å; F509-W516 HydrophobicContact CG-CZ2 4.21Å |
| 517 | I | 90.7 | Very high | 74.2 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.4 | 174.9 | -60.3 | 169.8 | 0 | 0 | 0 | 107.3 | R508 | R508-I517 PolarHBondContact N-O 3.38Å; R508-I517 PolarHBondContact O-N 3.22Å |
| 518 | Q | 88.7 | Confident | 71.5 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128 | 170.1 | -168 | 178.7 | -0.2 | 0 | 0 | 109.1 | W507 | W507-Q518 HydrophobicContact CD2-CB 3.9Å; W507-Q518 HydrophobicContact CD2-CG 4.15Å; W507-Q518 HydrophobicContact CE3-CB 3.84Å; W507-Q518 HydrophobicContact CH2-CB 3.83Å; W507-Q518 HydrophobicContact CH2-CG 4.45Å; W507-Q518 HydrophobicContact CZ2-CB 3.86Å; W507-Q518 HydrophobicContact CZ2-CG 3.97Å; W507-Q518 HydrophobicContact CZ3-CB 3.82Å |
| 519 | L | 83.7 | Confident | 68.8 | Low | 16 Ų | 16 | 77.8 Ų | 77.8 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | trans | -78.4 | 135.1 | 178.7 | -57.5 | 176.7 | 0 | 0 | 0 | 109.4 | E2 Y485 V506 R508 Y521 | E2-L519 WeakPolarHBondContact OE2-CD1 3.49Å; Y485-L519 HydrophobicContact CD1-CD1 3.96Å; Y485-L519 HydrophobicContact CE1-CD1 3.9Å; V506-L519 HydrophobicContact CB-CD1 4.46Å; V506-L519 HydrophobicContact CG1-CD1 3.83Å; V506-L519 PolarHBondContact O-N 2.86Å; R508-L519 HydrophobicContact CB-CD1 4.38Å; R508-L519 HydrophobicContact CB-CD2 4Å; R508-L519 HydrophobicContact CB-CG 4.26Å; L519-Y521 HydrophobicContact CB-CE1 4.17Å | ||
| 520 | S | 71.2 | Confident | 66 | Low | 109 Ų | 109 | 84 Ų | 84 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | trans | -109.1 | 133.3 | 174.6 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 521 | Y | 65.7 | Low | 63.5 | Low | 47 Ų | 47 | 88 Ų | 88 | 18% | 0.184 | 49% | 0.488 | C | S | . | . | trans | -105.8 | 125.6 | -178.9 | -51.2 | -62.9 | 0 | 0 | 0 | 109.1 | E2 W4 V506 L519 L534 F1246 | E2-Y521 HydrophobicContact CB-CD1 4.37Å; E2-Y521 HydrophobicContact CB-CE1 4.41Å; W4-Y521 AromaticContact NE1-CE1 3.96Å; W4-Y521 AromaticContact NE1-CZ 3.71Å; V506-Y521 HydrophobicContact CB-CE2 4.45Å; V506-Y521 WeakPolarHBondContact CB-OH 3.47Å; V506-Y521 HydrophobicContact CG2-CE2 4.19Å; V506-Y521 WeakPolarHBondContact CG2-OH 3.31Å; L519-Y521 HydrophobicContact CB-CE1 4.17Å; Y521-L534 HydrophobicContact CD2-CD2 3.97Å; Y521-L534 HydrophobicContact CG-CD2 4.02Å; Y521-F1246 HydrophobicContact CD1-CE2 4.06Å; Y521-F1246 AromaticContact CE1-CE2 3.42Å; Y521-F1246 HydrophobicContact CE1-CE2 3.42Å; Y521-F1246 VanDerWaalsContact CE1-CE2 3.42Å; Y521-F1246 AromaticContact CE1-CZ 3.89Å; Y521-F1246 HydrophobicContact CE1-CZ 3.89Å | ||
| 522 | M | 47.5 | Very low | 61.4 | Low | 118 Ų | 118 | 90.5 Ų | 90.5 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | trans | -81 | 127.4 | 168.8 | -68.9 | -134.6 | 77.1 | 0 | 0 | 108.9 | M1 S524 | M1-M522 HydrophobicContact SD-CB 4.36Å; M1-M522 HydrophobicContact SD-CG 4.28Å; M522-S524 PolarHBondContact O-N 3.21Å; M522-S524 VanDerWaalsContact O-N 3.07Å | ||
| 523 | P | 43.5 | Very low | 59.7 | Low | 74 Ų | 74 | 90 Ų | 90 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | trans | -58.3 | 116.7 | 162.2 | 21.7 | -27.3 | 0 | 0 | 0 | 107.6 | M525 I532 | P523-M525 PolarHBondContact O-N 3.46Å; P523-I532 HydrophobicContact CB-CD1 3.68Å | ||
| 524 | S | 38.1 | Very low | 58.4 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 43% | 0.427 | 48% | 0.48 | S | S | . | . | trans | -58.6 | 111.3 | -175.8 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | M522 K526 I532 | M522-S524 PolarHBondContact O-N 3.21Å; M522-S524 VanDerWaalsContact O-N 3.07Å; S524-K526 PolarHBondContact O-N 3.34Å; S524-I532 VanDerWaalsContact O-CD1 3.3Å; S524-I532 WeakPolarHBondContact O-CD1 3.45Å | ||
| 525 | M | 37.5 | Very low | 57.4 | Low | 186 Ų | 186 | 86.9 Ų | 86.9 | 92% | 0.916 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 2 | -176.2 | -65.3 | -169 | 114.6 | 0 | 0 | 115 | P523 | P523-M525 PolarHBondContact O-N 3.46Š|
| 526 | K | 36.3 | Very low | 56.4 | Low | 206 Ų | 206 | 86.2 Ų | 86.2 | 90% | 0.896 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 6.1 | -164.1 | -79.6 | -167.2 | 175.6 | -176.7 | 0 | 117.3 | S524 | S524-K526 PolarHBondContact O-N 3.34Š|
| 527 | S | 33.4 | Very low | 55.5 | Low | 53 Ų | 53 | 86.2 Ų | 86.2 | 37% | 0.371 | 46% | 0.464 | S | S | . | . | trans | -148 | 104.8 | 170.2 | 58.3 | 0 | 0 | 0 | 0 | 111 | N529 L530 | S527-N529 PolarHBondContact O-N 2.8Å; S527-L530 PolarHBondContact O-N 3.11Å; S527-L530 WeakPolarHBondContact OG-CB 3.37Å | ||
| 528 | S | 37.5 | Very low | 55.2 | Low | 123 Ų | 123 | 83.1 Ų | 83.1 | 86% | 0.86 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -10.6 | -179.4 | 38.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 529 | N | 36 | Very low | 55.2 | Low | 152 Ų | 152 | 80.4 Ų | 80.4 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -1.4 | -177.3 | -68.3 | -15.3 | 0 | 0 | 0 | 115.3 | S527 | S527-N529 PolarHBondContact O-N 2.8Š|
| 530 | L | 38.6 | Very low | 55.5 | Low | 131 Ų | 131 | 82.3 Ų | 82.3 | 69% | 0.686 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -104.8 | 104.9 | 175.6 | -142.9 | 79.6 | 0 | 0 | 0 | 108.4 | S527 I532 | S527-L530 PolarHBondContact O-N 3.11Å; S527-L530 WeakPolarHBondContact OG-CB 3.37Å; L530-I532 PolarHBondContact O-N 2.78Å |
| 531 | H | 38.9 | Very low | 56.4 | Low | 120 Ų | 120 | 77.3 Ų | 77.3 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | trans | -51.8 | 113.2 | 169.9 | -81.9 | -97.1 | 0 | 0 | 0 | 108.8 | H533 | H531-H533 PolarHBondContact O-CD2 2.93Å; H531-H533 VanDerWaalsContact O-CD2 3.25Å; H531-H533 PolarHBondContact O-N 3.2Å | ||
| 532 | I | 44.9 | Very low | 57.7 | Low | 67 Ų | 67 | 75.8 Ų | 75.8 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | trans | -65.9 | 105.5 | 175.1 | -64.1 | 132.6 | 0 | 0 | 0 | 107.5 | P523 S524 L530 L534 | P523-I532 HydrophobicContact CB-CD1 3.68Å; S524-I532 VanDerWaalsContact O-CD1 3.3Å; S524-I532 WeakPolarHBondContact O-CD1 3.45Å; L530-I532 PolarHBondContact O-N 2.78Å; I532-L534 VanDerWaalsContact C-N 3.34Å; I532-L534 HydrophobicContact CG2-CG 4.42Å; I532-L534 PolarHBondContact O-N 2.94Å; I532-L534 VanDerWaalsContact O-N 3.08Å | ||
| 533 | H | 52.6 | Low | 59.9 | Low | 94 Ų | 94 | 70.8 Ų | 70.8 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | trans | -81 | 83 | 175.1 | -79.4 | -83.3 | 0 | 0 | 0 | 109.5 | R6 H531 Y1244 | R6-H533 HydrophobicContact CB-CB 4.09Å; H531-H533 PolarHBondContact O-CD2 2.93Å; H531-H533 VanDerWaalsContact O-CD2 3.25Å; H531-H533 PolarHBondContact O-N 3.2Å; H533-Y1244 HydrophobicContact CB-CE1 4.4Å | ||
| 534 | L | 63.5 | Low | 62.2 | Low | 66 Ų | 66 | 67.9 Ų | 67.9 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 140 | 157.6 | -77.9 | 146.1 | 0 | 0 | 0 | 108.3 | Y521 I532 S536 | Y521-L534 HydrophobicContact CD2-CD2 3.97Å; Y521-L534 HydrophobicContact CG-CD2 4.02Å; I532-L534 VanDerWaalsContact C-N 3.34Å; I532-L534 HydrophobicContact CG2-CG 4.42Å; I532-L534 PolarHBondContact O-N 2.94Å; I532-L534 VanDerWaalsContact O-N 3.08Å; L534-S536 PolarHBondContact O-N 2.77Å |
| 535 | P | 71.4 | Confident | 64.7 | Low | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 133.1 | 174.7 | -19.4 | 28.7 | 0 | 0 | 0 | 109.7 | W4 F488 Q504 Y1244 | W4-P535 HydrophobicContact CB-CG 4.11Å; W4-P535 HydrophobicContact CD2-CG 3.43Å; W4-P535 VanDerWaalsContact CD2-CG 3.43Å; W4-P535 HydrophobicContact CE3-CG 3.75Å; W4-P535 HydrophobicContact CG-CG 3.62Å; W4-P535 HydrophobicContact CZ2-CG 4.47Å; W4-P535 HydrophobicContact CZ3-CG 4.37Å; F488-P535 HydrophobicContact CE1-CB 3.93Å; F488-P535 HydrophobicContact CZ-CB 3.69Å; F488-P535 HydrophobicContact CZ-CG 4.1Å; Q504-P535 PolarHBondContact NE2-O 2.92Å; P535-Y1244 HydrophobicContact CB-CD1 4.17Å; P535-Y1244 HydrophobicContact CB-CD2 4.32Å; P535-Y1244 HydrophobicContact CB-CE1 4.26Å; P535-Y1244 HydrophobicContact CB-CE2 4.43Å; P535-Y1244 HydrophobicContact CB-CG 4.22Å; P535-Y1244 HydrophobicContact CG-CD1 3.74Å; P535-Y1244 HydrophobicContact CG-CD2 4.46Å; P535-Y1244 HydrophobicContact CG-CE1 4.23Å; P535-Y1244 HydrophobicContact CG-CG 3.89Å |
| 536 | S | 70.3 | Confident | 67.2 | Low | 30 Ų | 30 | 57.2 Ų | 57.2 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 154.9 | 172.3 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | L534 R538 Q575 | L534-S536 PolarHBondContact O-N 2.77Å; S536-R538 PolarHBondContact O-N 3.46Å; S536-R538 PolarHBondContact O-NE 2.87Å; S536-R538 VanDerWaalsContact O-NE 3.1Å; S536-R538 PolarHBondContact OG-NH2 2.9Å; S536-Q575 PolarHBondContact OG-OE1 3.08Å |
| 537 | A | 75 | Confident | 69.6 | Low | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -52.6 | 133.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | H502 Y503 Q504 Q575 P576 V1229 | H502-A537 HydrophobicContact CB-CB 3.93Å; Y503-A537 WeakPolarHBondContact O-CA 3.47Å; Q504-A537 HydrophobicContact CB-CB 3.83Å; Q504-A537 HydrophobicContact CG-CB 4.27Å; A537-Q575 WeakPolarHBondContact O-CB 3.49Å; A537-P576 WeakPolarHBondContact O-CD 3.25Å; A537-V1229 HydrophobicContact CB-CB 4.45Å; A537-V1229 HydrophobicContact CB-CG2 3.86Å |
| 538 | R | 84.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -158.1 | 166.5 | -173.3 | 61.2 | -174.6 | 62.5 | -169.3 | -4 | 113.4 | F488 G489 Y503 S536 A541 G572 T574 | F488-R538 HydrophobicContact CB-CG 4.12Å; F488-R538 VanDerWaalsContact CB-O 3.29Å; F488-R538 WeakPolarHBondContact CB-O 3.11Å; F488-R538 HydrophobicContact CD1-CG 3.9Å; F488-R538 HydrophobicContact CD2-CG 4.25Å; F488-R538 HydrophobicContact CE1-CG 4.39Å; F488-R538 HydrophobicContact CG-CG 3.84Å; G489-R538 PolarHBondContact N-O 3.37Å; Y503-R538 PolarHBondContact O-N 3.09Å; S536-R538 PolarHBondContact O-N 3.46Å; S536-R538 PolarHBondContact O-NE 2.87Å; S536-R538 VanDerWaalsContact O-NE 3.1Å; S536-R538 PolarHBondContact OG-NH2 2.9Å; R538-A541 HydrophobicContact CG-CB 3.99Å; R538-G572 PolarHBondContact NH1-O 2.73Å; R538-T574 CarbonylContact C-O 3.54Å; R538-T574 WeakPolarHBondContact CA-O 3.25Å; R538-T574 VanDerWaalsContact CB-O 3.25Å; R538-T574 WeakPolarHBondContact CB-O 3.15Å | ||
| 539 | R | 88.7 | Confident | 73.6 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 159.5 | 169.9 | 68.6 | -179.9 | -174.3 | 122.9 | -6.1 | 110.5 | S474 A490 A541 G573 T574 | S474-R539 CarbonylContact O-C 3.56Å; S474-R539 WeakPolarHBondContact O-CA 3.42Å; A490-R539 HydrophobicContact CB-CB 3.86Å; A490-R539 HydrophobicContact CB-CG 4.31Å; R539-A541 PolarHBondContact O-N 2.9Å; R539-A541 VanDerWaalsContact O-N 3.16Å; R539-G573 CarbonylContact O-C 3.58Å; R539-G573 WeakPolarHBondContact O-CA 3.33Å; R539-T574 WeakPolarHBondContact CG-OG1 3.18Å; R539-T574 PolarHBondContact N-O 2.9Å; R539-T574 PolarHBondContact NE-OG1 3.06Å; R539-T574 PolarHBondContact O-N 3.46Å |
| 540 | R | 90.3 | Very high | 75.1 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 59.5 | 22.6 | 178.5 | -55 | 174.6 | 163.5 | -171.8 | -7.3 | 113.5 | V15 N16 H17 S474 | V15-R540 HydrophobicContact CB-CB 3.84Å; V15-R540 HydrophobicContact CB-CG 4.49Å; V15-R540 HydrophobicContact CG1-CB 4.2Å; N16-R540 PolarHBondContact ND2-NH1 2.85Å; N16-R540 PolarHBondContact ND2-NH2 3.01Å; N16-R540 WeakPolarHBondContact OD1-CD 3.15Å; N16-R540 VanDerWaalsContact OD1-CG 3.26Å; N16-R540 WeakPolarHBondContact OD1-CG 3.29Å; N16-R540 PolarHBondContact OD1-NE 3.01Å; H17-R540 PolarHBondContact CE1-O 3.45Å; H17-R540 VanDerWaalsContact CE1-O 3.3Å; S474-R540 PolarHBondContact O-N 2.85Å |
| 541 | A | 91.7 | Very high | 76.1 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -81.5 | 148.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S476 R538 R539 V570 G572 | S476-A541 PolarHBondContact OG-O 3.12Å; R538-A541 HydrophobicContact CG-CB 3.99Å; R539-A541 PolarHBondContact O-N 2.9Å; R539-A541 VanDerWaalsContact O-N 3.16Å; A541-V570 HydrophobicContact CB-CG1 3.96Å; A541-G572 VanDerWaalsContact CB-O 3.26Å; A541-G572 WeakPolarHBondContact CB-O 3.46Å | ||
| 542 | V | 92.3 | Very high | 76.6 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | H17 A19 V570 F571 | H17-V542 VanDerWaalsContact CD2-CG2 3.47Å; H17-V542 WeakPolarHBondContact CD2-CG2 3.33Å; H17-V542 WeakPolarHBondContact O-CG2 3.32Å; A19-V542 HydrophobicContact CB-CB 4.28Å; A19-V542 HydrophobicContact CB-CG1 3.58Å; V542-V570 VanDerWaalsContact O-CA 3.27Å; V542-V570 WeakPolarHBondContact O-CA 3.48Å; V542-F571 PolarHBondContact N-O 3.47Å; V542-F571 VanDerWaalsContact N-O 3.1Å; V542-F571 PolarHBondContact O-N 3.43Å |
| 543 | A | 92.5 | Very high | 76.5 | Confident | 13 Ų | 13 | 40 Ų | 40 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | W478 V568 F569 V570 | W478-A543 HydrophobicContact CE3-CB 3.55Å; W478-A543 HydrophobicContact CZ3-CB 3.81Å; A543-V568 HydrophobicContact CB-CG1 3.84Å; A543-F569 CarbonylContact C-O 3.48Å; A543-F569 WeakPolarHBondContact CA-O 3.33Å; A543-V570 HydrophobicContact CB-CG2 3.89Å |
| 544 | C | 92.1 | Very high | 75.8 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.081 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121 | 180 | -164.1 | 0 | 0 | 0 | 0 | 110 | I20 C21 I26 V568 F569 | I20-C544 VanDerWaalsContact C-SG 3.53Å; C21-C544 PolarHBondContact N-SG 2.86Å; I26-C544 HydrophobicContact CG2-CB 4.3Å; C544-V568 CarbonylContact O-C 3.47Å; C544-V568 WeakPolarHBondContact O-CA 3.41Å; C544-F569 PolarHBondContact N-O 2.79Å; C544-F569 PolarHBondContact O-N 3.37Å |
| 545 | L | 91.9 | Very high | 74.7 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.7 | 177.7 | 177.4 | 68.5 | 0 | 0 | 0 | 110.5 | W478 S479 Y480 V547 P566 V568 F1248 | W478-L545 HydrophobicContact CB-CB 4.38Å; S479-L545 VanDerWaalsContact O-CD2 3.23Å; S479-L545 WeakPolarHBondContact O-CD2 3.08Å; Y480-L545 HydrophobicContact CD2-CD2 4.1Å; Y480-L545 HydrophobicContact CG-CD2 4.41Å; L545-V547 HydrophobicContact CD1-CG2 4.36Å; L545-V547 HydrophobicContact CD2-CG2 4.06Å; L545-V547 HydrophobicContact CG-CG2 4.03Å; L545-P566 HydrophobicContact CD1-CB 4.41Å; L545-V568 HydrophobicContact CD1-CG2 3.84Å; L545-F1248 HydrophobicContact CD1-CE2 4.13Å |
| 546 | Y | 89.8 | Confident | 73.2 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.3 | 167.7 | 172.6 | -106.4 | 0 | 0 | 0 | 110.1 | D24 I53 A548 Q564 P566 R567 | D24-Y546 HydrophobicContact CB-CE2 4.45Å; D24-Y546 VanDerWaalsContact OD1-CE2 3.24Å; D24-Y546 WeakPolarHBondContact OD1-CE2 3.43Å; D24-Y546 PolarHBondContact OD1-OH 3.32Å; I53-Y546 HydrophobicContact CD1-CD1 4.15Å; I53-Y546 HydrophobicContact CD1-CD2 3.24Å; I53-Y546 HydrophobicContact CD1-CE1 4.48Å; I53-Y546 HydrophobicContact CD1-CE2 3.65Å; I53-Y546 HydrophobicContact CD1-CG 3.5Å; I53-Y546 HydrophobicContact CG2-CD1 4.34Å; I53-Y546 HydrophobicContact CG2-CE1 4.11Å; Y546-A548 HydrophobicContact CE1-CB 4.16Å; Y546-Q564 HydrophobicContact CE1-CB 4.44Å; Y546-Q564 VanDerWaalsContact CE1-OE1 3.29Å; Y546-Q564 PolarHBondContact OH-OE1 3.3Å; Y546-P566 CarbonylContact O-C 3.55Å; Y546-P566 VanDerWaalsContact O-CA 3.29Å; Y546-P566 WeakPolarHBondContact O-CA 3.26Å; Y546-R567 PolarHBondContact N-O 3.37Å; Y546-R567 PolarHBondContact O-N 3.08Å |
| 547 | V | 85.2 | Confident | 71.6 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | trans | -125.8 | 125.2 | 168.2 | -174 | 0 | 0 | 0 | 0 | 106.5 | W361 T365 Y480 L545 P566 | W361-V547 PolarHBondContact NE1-O 3.01Å; T365-V547 HydrophobicContact CG2-CB 3.7Å; T365-V547 HydrophobicContact CG2-CG2 3.97Å; Y480-V547 HydrophobicContact CD2-CG2 4.44Å; Y480-V547 HydrophobicContact CE2-CG2 4.25Å; L545-V547 HydrophobicContact CD1-CG2 4.36Å; L545-V547 HydrophobicContact CD2-CG2 4.06Å; L545-V547 HydrophobicContact CG-CG2 4.03Å; V547-P566 HydrophobicContact CG2-CB 4.33Å | ||
| 548 | A | 82 | Confident | 69.9 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | W361 Y546 Q564 | W361-A548 PolarHBondContact NE1-O 2.69Å; Y546-A548 HydrophobicContact CE1-CB 4.16Å; A548-Q564 HydrophobicContact CB-CB 4.02Å |
| 549 | P | 74.3 | Confident | 67.6 | Low | 58 Ų | 58 | 76.3 Ų | 76.3 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.8 | 177.9 | 22 | -31.2 | 0 | 0 | 0 | 111 | W361 S551 | W361-P549 HydrophobicContact CD2-CB 4.35Å; W361-P549 VanDerWaalsContact CE2-CA 3.43Å; W361-P549 HydrophobicContact CE3-CB 4.46Å; W361-P549 HydrophobicContact CH2-CB 3.83Å; W361-P549 HydrophobicContact CZ2-CB 3.66Å; W361-P549 HydrophobicContact CZ2-CG 4.26Å; W361-P549 HydrophobicContact CZ3-CB 4.23Å; P549-S551 PolarHBondContact O-N 2.8Å |
| 550 | P | 67.9 | Low | 65.3 | Low | 62 Ų | 62 | 80 Ų | 80 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 118.1 | 173.5 | 24.4 | -31.4 | 0 | 0 | 0 | 108.5 | R358 W361 T552 | R358-P550 HydrophobicContact CB-CG 4.42Å; W361-P550 HydrophobicContact CB-CG 4.27Å; W361-P550 HydrophobicContact CG-CG 4.47Å; P550-T552 PolarHBondContact O-N 3.22Å |
| 551 | S | 59.7 | Low | 62.9 | Low | 101 Ų | 101 | 82.2 Ų | 82.2 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 127.4 | 173.7 | 48.2 | 0 | 0 | 0 | 0 | 108.9 | P549 | P549-S551 PolarHBondContact O-N 2.8Š|
| 552 | T | 48.9 | Very low | 60.5 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 64% | 0.644 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -51 | 136.1 | 166.5 | 38 | 0 | 0 | 0 | 0 | 107.8 | P550 Y554 | P550-T552 PolarHBondContact O-N 3.22Å; T552-Y554 PolarHBondContact O-N 3.33Å |
| 553 | P | 41.5 | Very low | 58.5 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 75% | 0.747 | 49% | 0.493 | S | S | * | . | trans | -73.2 | 60.1 | 178.8 | 30.9 | -33.9 | 0 | 0 | 0 | 109.5 | ||||
| 554 | Y | 39.6 | Very low | 57 | Low | 201 Ų | 201 | 99.2 Ų | 99.2 | 79% | 0.788 | 50% | 0.503 | S | S | * | . | trans | -86.4 | 131.7 | 162.1 | -103.2 | -88.5 | 0 | 0 | 0 | 107.8 | T552 D556 | T552-Y554 PolarHBondContact O-N 3.33Å; Y554-D556 PolarHBondContact O-N 3.45Å | ||
| 555 | R | 38.8 | Very low | 56 | Low | 244 Ų | 244 | 102.1 Ų | 102.1 | 92% | 0.921 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -61.6 | 5.1 | -165 | -73.8 | -169.7 | -174.8 | -172.2 | 3.1 | 116.6 | Y557 | R555-Y557 PolarHBondContact O-N 2.82Š|
| 556 | D | 41.2 | Very low | 55.7 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | trans | -82.8 | 77.9 | 176.7 | -66.9 | -23.2 | 0 | 0 | 0 | 109.2 | Y554 N558 | Y554-D556 PolarHBondContact O-N 3.45Å; D556-N558 PolarHBondContact O-N 2.97Å | ||
| 557 | Y | 35.5 | Very low | 55.6 | Low | 212 Ų | 212 | 103.7 Ų | 103.7 | 83% | 0.831 | 52% | 0.522 | S | S | * | . | trans | -62.9 | 80.8 | 169.9 | -145 | -86.2 | 0 | 0 | 0 | 107.8 | R555 P559 | R555-Y557 PolarHBondContact O-N 2.82Å; Y557-P559 WeakPolarHBondContact O-CD 3.21Å | ||
| 558 | N | 39 | Very low | 55.9 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 42% | 0.422 | 52% | 0.516 | S | S | . | . | trans | -89.2 | 100.7 | 166.3 | -156.2 | -17.7 | 0 | 0 | 0 | 106.4 | D556 T560 L561 | D556-N558 PolarHBondContact O-N 2.97Å; N558-T560 VanDerWaalsContact CG-OG1 3.22Å; N558-T560 PolarHBondContact O-N 3.11Å; N558-T560 PolarHBondContact OD1-OG1 2.84Å; N558-L561 HydrophobicContact CB-CD1 4.3Å; N558-L561 PolarHBondContact O-N 2.9Å | ||
| 559 | P | 36.7 | Very low | 56.3 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.7 | -178 | 25.5 | -34.1 | 0 | 0 | 0 | 112.7 | Y557 I562 | Y557-P559 WeakPolarHBondContact O-CD 3.21Å; P559-I562 WeakPolarHBondContact O-CG1 3.37Å; P559-I562 PolarHBondContact O-N 3.06Å |
| 560 | T | 39.7 | Very low | 57.1 | Low | 104 Ų | 104 | 98.9 Ų | 98.9 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.8 | 172.4 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | N558 I562 | N558-T560 VanDerWaalsContact CG-OG1 3.22Å; N558-T560 PolarHBondContact O-N 3.11Å; N558-T560 PolarHBondContact OD1-OG1 2.84Å; T560-I562 PolarHBondContact O-N 3.15Å |
| 561 | L | 41.3 | Very low | 58.2 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -75 | 60.7 | 154.4 | -89.7 | 98.6 | 0 | 0 | 0 | 108.4 | N558 R563 | N558-L561 HydrophobicContact CB-CD1 4.3Å; N558-L561 PolarHBondContact O-N 2.9Å; L561-R563 PolarHBondContact O-N 2.91Å |
| 562 | I | 41.1 | Very low | 59.5 | Low | 115 Ų | 115 | 91.4 Ų | 91.4 | 59% | 0.59 | 44% | 0.437 | S | S | * | . | trans | -45.9 | 114.2 | 158.5 | -63.2 | 169.6 | 0 | 0 | 0 | 104.4 | P559 T560 Q564 | P559-I562 WeakPolarHBondContact O-CG1 3.37Å; P559-I562 PolarHBondContact O-N 3.06Å; T560-I562 PolarHBondContact O-N 3.15Å; I562-Q564 PolarHBondContact O-N 2.89Å | ||
| 563 | R | 49.6 | Very low | 61.3 | Low | 205 Ų | 205 | 86.4 Ų | 86.4 | 77% | 0.774 | 41% | 0.407 | S | S | * | . | trans | -40.9 | 105.9 | 169.3 | -67.6 | -179.9 | -177 | -156.3 | 0.5 | 106.3 | L561 H565 | L561-R563 PolarHBondContact O-N 2.91Å; R563-H565 PolarHBondContact O-N 3.01Å | ||
| 564 | Q | 61.6 | Low | 63.2 | Low | 69 Ų | 69 | 81.3 Ų | 81.3 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 120.3 | -177.5 | -69.1 | -174.6 | 3.7 | 0 | 0 | 105.7 | H54 Y546 A548 I562 | H54-Q564 PolarHBondContact ND1-NE2 3.38Å; Y546-Q564 HydrophobicContact CE1-CB 4.44Å; Y546-Q564 VanDerWaalsContact CE1-OE1 3.29Å; Y546-Q564 PolarHBondContact OH-OE1 3.3Å; A548-Q564 HydrophobicContact CB-CB 4.02Å; I562-Q564 PolarHBondContact O-N 2.89Å |
| 565 | H | 71.4 | Confident | 64.9 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 146.9 | 177.6 | -71.6 | -90.6 | 0 | 0 | 0 | 108.5 | R563 R567 F1248 | R563-H565 PolarHBondContact O-N 3.01Å; H565-R567 PolarHBondContact O-N 2.81Å; H565-F1248 PolarHBondContact ND1-O 2.79Å |
| 566 | P | 84.6 | Confident | 66.1 | Low | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -51 | 142.9 | 169.3 | -20.2 | 29.5 | 0 | 0 | 0 | 109.4 | Y480 L545 Y546 V547 F1248 | Y480-P566 HydrophobicContact CE1-CB 4.33Å; Y480-P566 HydrophobicContact CE1-CG 3.95Å; Y480-P566 HydrophobicContact CE2-CB 4.39Å; Y480-P566 HydrophobicContact CE2-CG 4.06Å; Y480-P566 VanDerWaalsContact OH-CG 3.3Å; Y480-P566 WeakPolarHBondContact OH-CG 3.39Å; L545-P566 HydrophobicContact CD1-CB 4.41Å; Y546-P566 CarbonylContact O-C 3.55Å; Y546-P566 VanDerWaalsContact O-CA 3.29Å; Y546-P566 WeakPolarHBondContact O-CA 3.26Å; V547-P566 HydrophobicContact CG2-CB 4.33Å; P566-F1248 HydrophobicContact CB-CD2 3.72Å; P566-F1248 HydrophobicContact CB-CE2 4.17Å; P566-F1248 WeakPolarHBondContact O-CD2 3.46Å |
| 567 | R | 87.9 | Confident | 66.5 | Low | 41 Ų | 41 | 61.5 Ų | 61.5 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140 | -178.4 | -75.6 | -179 | -77.3 | 171.1 | -1.4 | 110.1 | Y546 H565 F569 F1246 N1247 | Y546-R567 PolarHBondContact N-O 3.37Å; Y546-R567 PolarHBondContact O-N 3.08Å; H565-R567 PolarHBondContact O-N 2.81Å; R567-F569 HydrophobicContact CB-CD2 4.39Å; R567-F569 HydrophobicContact CB-CE2 3.79Å; R567-F569 HydrophobicContact CB-CZ 4.44Å; R567-F1246 CarbonylContact C-O 3.5Å; R567-F1246 VanDerWaalsContact CA-O 3.23Å; R567-F1246 WeakPolarHBondContact CA-O 3.46Å; R567-N1247 WeakPolarHBondContact CD-OD1 3.27Å; R567-N1247 WeakPolarHBondContact CG-OD1 3.46Å |
| 568 | V | 90.8 | Very high | 66.7 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.3 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | W478 A543 C544 L545 T1245 F1246 F1248 | W478-V568 HydrophobicContact CD2-CG1 3.94Å; W478-V568 HydrophobicContact CD2-CG2 4.05Å; W478-V568 HydrophobicContact CE3-CG1 3.93Å; W478-V568 HydrophobicContact CG-CG1 4.48Å; W478-V568 HydrophobicContact CG-CG2 4.16Å; W478-V568 HydrophobicContact CH2-CG1 4.44Å; W478-V568 HydrophobicContact CZ2-CG1 4.45Å; W478-V568 HydrophobicContact CZ2-CG2 4.24Å; W478-V568 HydrophobicContact CZ3-CG1 4.19Å; A543-V568 HydrophobicContact CB-CG1 3.84Å; C544-V568 CarbonylContact O-C 3.47Å; C544-V568 WeakPolarHBondContact O-CA 3.41Å; L545-V568 HydrophobicContact CD1-CG2 3.84Å; V568-T1245 CarbonylContact O-C 3.57Å; V568-T1245 VanDerWaalsContact O-CA 3.3Å; V568-T1245 WeakPolarHBondContact O-CA 3.42Å; V568-F1246 HydrophobicContact CB-CB 3.99Å; V568-F1246 HydrophobicContact CG2-CD1 4.46Å; V568-F1246 PolarHBondContact N-O 3.4Å; V568-F1246 PolarHBondContact O-N 3.03Å; V568-F1248 HydrophobicContact CG2-CE2 3.81Å; V568-F1248 HydrophobicContact CG2-CZ 4.13Å |
| 569 | F | 91.3 | Very high | 66.3 | Low | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.2 | 176.3 | -67.2 | -102.1 | 0 | 0 | 0 | 109.7 | L7 I26 W51 I53 A543 C544 R567 Y1244 | L7-F569 HydrophobicContact CD1-CD1 3.76Å; L7-F569 HydrophobicContact CD1-CE1 3.77Å; I26-F569 HydrophobicContact CD1-CB 3.52Å; I26-F569 HydrophobicContact CD1-CD1 3.88Å; I26-F569 HydrophobicContact CD1-CD2 3.27Å; I26-F569 HydrophobicContact CD1-CE1 4.39Å; I26-F569 HydrophobicContact CD1-CE2 3.86Å; I26-F569 HydrophobicContact CD1-CG 3.27Å; I26-F569 HydrophobicContact CD1-CZ 4.38Å; W51-F569 AromaticContact NE1-CE1 3.71Å; I53-F569 HydrophobicContact CD1-CE2 4.39Å; I53-F569 HydrophobicContact CG1-CZ 4.38Å; I53-F569 HydrophobicContact CG2-CZ 4.44Å; A543-F569 CarbonylContact C-O 3.48Å; A543-F569 WeakPolarHBondContact CA-O 3.33Å; C544-F569 PolarHBondContact N-O 2.79Å; C544-F569 PolarHBondContact O-N 3.37Å; R567-F569 HydrophobicContact CB-CD2 4.39Å; R567-F569 HydrophobicContact CB-CE2 3.79Å; R567-F569 HydrophobicContact CB-CZ 4.44Å; F569-Y1244 CarbonylContact C-O 3.54Å; F569-Y1244 WeakPolarHBondContact CA-O 3.12Å |
| 570 | V | 90.7 | Very high | 66 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.9 | 177 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | W4 F488 A541 V542 A543 C1243 Y1244 | W4-V570 HydrophobicContact CH2-CB 4.21Å; W4-V570 HydrophobicContact CH2-CG2 3.34Å; W4-V570 HydrophobicContact CZ2-CG2 4.5Å; W4-V570 HydrophobicContact CZ3-CB 3.99Å; W4-V570 HydrophobicContact CZ3-CG2 3.58Å; F488-V570 HydrophobicContact CE2-CG1 3.96Å; F488-V570 HydrophobicContact CE2-CG2 4.17Å; A541-V570 HydrophobicContact CB-CG1 3.96Å; V542-V570 VanDerWaalsContact O-CA 3.27Å; V542-V570 WeakPolarHBondContact O-CA 3.48Å; A543-V570 HydrophobicContact CB-CG2 3.89Å; V570-C1243 CarbonylContact O-C 3.51Å; V570-C1243 VanDerWaalsContact O-CA 3.31Å; V570-C1243 WeakPolarHBondContact O-CA 3.4Å; V570-Y1244 PolarHBondContact N-O 3.45Å; V570-Y1244 PolarHBondContact O-N 3.21Å |
| 571 | F | 90.8 | Very high | 65.4 | Low | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.1 | -178.4 | 175.7 | -105.7 | 0 | 0 | 0 | 112.1 | A10 P11 R14 H17 V28 W58 V542 S1241 C1243 | A10-F571 HydrophobicContact CB-CD2 4.42Å; A10-F571 HydrophobicContact CB-CE2 4.08Å; P11-F571 HydrophobicContact CG-CE1 4.49Å; P11-F571 HydrophobicContact CG-CE2 3.85Å; P11-F571 HydrophobicContact CG-CZ 3.62Å; R14-F571 HydrophobicContact CG-CE1 3.82Å; R14-F571 HydrophobicContact CG-CZ 4.35Å; H17-F571 AromaticContact CD2-CD1 3.87Å; H17-F571 PolarHBondContact CE1-O 2.75Å; H17-F571 AromaticContact NE2-CD1 3.58Å; H17-F571 PolarHBondContact NE2-O 2.9Å; V28-F571 HydrophobicContact CB-CD1 4.37Å; V28-F571 HydrophobicContact CB-CE1 4.49Å; V28-F571 HydrophobicContact CG1-CD1 3.8Å; V28-F571 HydrophobicContact CG1-CE1 3.79Å; V28-F571 HydrophobicContact CG2-CD1 3.81Å; V28-F571 HydrophobicContact CG2-CE1 4.33Å; V28-F571 HydrophobicContact CG2-CG 4.38Å; W58-F571 HydrophobicContact CH2-CD2 4.27Å; W58-F571 HydrophobicContact CH2-CE2 4.49Å; W58-F571 HydrophobicContact CH2-CG 4.38Å; W58-F571 AromaticContact CZ2-CD2 3.91Å; W58-F571 HydrophobicContact CZ2-CD2 3.91Å; W58-F571 HydrophobicContact CZ2-CE2 4.14Å; W58-F571 HydrophobicContact CZ2-CG 4.41Å; V542-F571 PolarHBondContact N-O 3.47Å; V542-F571 VanDerWaalsContact N-O 3.1Å; V542-F571 PolarHBondContact O-N 3.43Å; F571-S1241 VanDerWaalsContact CE2-O 3.26Å; F571-S1241 WeakPolarHBondContact CE2-O 3.34Å; F571-C1243 HydrophobicContact CD2-CB 4.03Å |
| 572 | G | 88.2 | Confident | 64.6 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 70.3 | -154.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R538 A541 L1240 D1242 | R538-G572 PolarHBondContact NH1-O 2.73Å; A541-G572 VanDerWaalsContact CB-O 3.26Å; A541-G572 WeakPolarHBondContact CB-O 3.46Å; G572-L1240 WeakPolarHBondContact CA-O 3.44Å; G572-D1242 PolarHBondContact N-O 2.87Å; G572-D1242 VanDerWaalsContact N-O 3.09Å | ||
| 573 | G | 86.8 | Confident | 63.9 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | 102.6 | 166.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R14 V15 R539 L1240 | R14-G573 PolarHBondContact O-N 2.85Å; V15-G573 VanDerWaalsContact CG1-C 3.45Å; R539-G573 CarbonylContact O-C 3.58Å; R539-G573 WeakPolarHBondContact O-CA 3.33Å; G573-L1240 WeakPolarHBondContact O-CB 3.29Å; G573-L1240 PolarHBondContact O-N 3.16Å | ||
| 574 | T | 81.8 | Confident | 62.6 | Low | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.4 | 169.1 | 32.7 | 0 | 0 | 0 | 0 | 110.4 | V15 R538 R539 L1237 V1238 E1239 | V15-T574 HydrophobicContact CG1-CG2 3.57Å; R538-T574 CarbonylContact C-O 3.54Å; R538-T574 WeakPolarHBondContact CA-O 3.25Å; R538-T574 VanDerWaalsContact CB-O 3.25Å; R538-T574 WeakPolarHBondContact CB-O 3.15Å; R539-T574 WeakPolarHBondContact CG-OG1 3.18Å; R539-T574 PolarHBondContact N-O 2.9Å; R539-T574 PolarHBondContact NE-OG1 3.06Å; R539-T574 PolarHBondContact O-N 3.46Å; T574-L1237 HydrophobicContact CG2-CB 3.93Å; T574-V1238 WeakPolarHBondContact CA-O 3.29Å; T574-E1239 HydrophobicContact CG2-CG 3.84Å |
| 575 | Q | 74.9 | Confident | 60.8 | Low | 50 Ų | 50 | 61.6 Ų | 61.6 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 155.3 | 170.5 | 64.4 | 176.9 | 15.8 | 0 | 0 | 110.5 | S536 A537 L1237 V1238 L1240 | S536-Q575 PolarHBondContact OG-OE1 3.08Å; A537-Q575 WeakPolarHBondContact O-CB 3.49Å; Q575-L1237 WeakPolarHBondContact O-CD2 3.2Å; Q575-V1238 HydrophobicContact CG-CB 4.44Å; Q575-V1238 PolarHBondContact N-O 2.57Å; Q575-V1238 VanDerWaalsContact N-O 3.12Å; Q575-V1238 PolarHBondContact O-N 3.15Å; Q575-L1240 HydrophobicContact CB-CD1 4.26Å; Q575-L1240 HydrophobicContact CG-CD1 4.24Å; Q575-L1240 HydrophobicContact CG-CD2 4.19Å; Q575-L1240 HydrophobicContact CG-CG 4.28Å |
| 576 | P | 63.1 | Low | 58.6 | Low | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 144.9 | 165 | 26 | -30.7 | 0 | 0 | 0 | 108.6 | H502 A537 V1229 | H502-P576 HydrophobicContact CB-CG 4.12Å; A537-P576 WeakPolarHBondContact O-CD 3.25Å; P576-V1229 HydrophobicContact CB-CG1 4.13Å; P576-V1229 HydrophobicContact CG-CB 3.99Å; P576-V1229 HydrophobicContact CG-CG1 3.71Å |
| 577 | R | 49.4 | Very low | 55.6 | Low | 97 Ų | 97 | 67.9 Ų | 67.9 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -70 | 157.7 | 177.8 | -141.3 | 177.7 | -142.2 | -163.5 | 1.1 | 107.6 | L579 E1235 K1236 V1238 | R577-L579 PolarHBondContact O-N 3.36Å; R577-E1235 HydrophobicContact CB-CB 3.78Å; R577-E1235 HydrophobicContact CB-CG 4.12Å; R577-E1235 WeakPolarHBondContact CB-OE2 3.48Å; R577-E1235 PolarHBondContact N-OE2 3.17Å; R577-E1235 VanDerWaalsContact N-OE2 3.16Å; R577-K1236 WeakPolarHBondContact CD-O 3.33Å; R577-K1236 WeakPolarHBondContact CG-O 3.31Å; R577-K1236 PolarHBondContact NE-O 3.05Å; R577-V1238 HydrophobicContact CG-CG2 4.02Å |
| 578 | A | 40.5 | Very low | 52.6 | Low | 36 Ų | 36 | 73.5 Ų | 73.5 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 126 | 160 | 0 | 0 | 0 | 0 | 0 | 106.4 | N580 | A578-N580 VanDerWaalsContact C-N 3.31Å; A578-N580 PolarHBondContact O-N 3.48Å |
| 579 | L | 31.2 | Very low | 49.3 | Very low | 87 Ų | 87 | 80.2 Ų | 80.2 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -51.6 | 100.6 | 166 | -82.9 | 163.8 | 0 | 0 | 0 | 107.3 | R577 E581 E1235 | R577-L579 PolarHBondContact O-N 3.36Å; L579-E581 PolarHBondContact O-N 3.1Å; L579-E1235 WeakPolarHBondContact CA-OE1 3.48Å; L579-E1235 WeakPolarHBondContact CD2-OE1 3.26Å; L579-E1235 WeakPolarHBondContact CG-OE1 3.18Å; L579-E1235 PolarHBondContact N-OE1 3.46Å | ||
| 580 | N | 29.1 | Very low | 46 | Very low | 124 Ų | 124 | 83.1 Ų | 83.1 | 66% | 0.663 | 45% | 0.452 | S | S | * | . | trans | -67.2 | 128.3 | 168 | -89.3 | -15.7 | 0 | 0 | 0 | 106.5 | A578 K582 | A578-N580 VanDerWaalsContact C-N 3.31Å; A578-N580 PolarHBondContact O-N 3.48Å; N580-K582 PolarHBondContact O-N 3.48Å | ||
| 581 | E | 26.6 | Very low | 42.9 | Very low | 155 Ų | 155 | 91 Ų | 91 | 72% | 0.724 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -66.4 | 21.9 | -176.2 | -146.2 | 171.7 | -154.8 | 0 | 0 | 113.9 | L579 I583 | L579-E581 PolarHBondContact O-N 3.1Å; E581-I583 VanDerWaalsContact C-N 3.32Å; E581-I583 PolarHBondContact O-N 2.87Å |
| 582 | K | 25.1 | Very low | 39.6 | Very low | 181 Ų | 181 | 96.9 Ų | 96.9 | 79% | 0.787 | 52% | 0.52 | S | S | * | . | trans | -90.1 | 70.1 | 164.3 | -77.3 | -172.3 | 174.1 | -174.8 | 0 | 108.7 | N580 S584 | N580-K582 PolarHBondContact O-N 3.48Å; K582-S584 PolarHBondContact O-N 3.29Å | ||
| 583 | I | 25.7 | Very low | 36.5 | Very low | 153 Ų | 153 | 104.3 Ų | 104.3 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | trans | -75.2 | 81.4 | 143.9 | -60.6 | 178.1 | 0 | 0 | 0 | 104.1 | E581 L585 | E581-I583 VanDerWaalsContact C-N 3.32Å; E581-I583 PolarHBondContact O-N 2.87Å; I583-L585 PolarHBondContact O-N 3.35Å | ||
| 584 | S | 24.4 | Very low | 33.3 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | trans | -49.7 | 106.7 | 159.6 | 32.7 | 0 | 0 | 0 | 0 | 106.7 | K582 I586 | K582-S584 PolarHBondContact O-N 3.29Å; S584-I586 PolarHBondContact O-N 2.89Å | ||
| 585 | L | 23.7 | Very low | 30.3 | Very low | 171 Ų | 171 | 118.9 Ų | 118.9 | 90% | 0.895 | 63% | 0.627 | S | S | * | * | trans | -56.5 | 78.5 | 159.9 | -74.5 | 155.1 | 0 | 0 | 0 | 107.1 | I583 S587 | I583-L585 PolarHBondContact O-N 3.35Å; L585-S587 VanDerWaalsContact C-N 3.32Å; L585-S587 PolarHBondContact O-N 2.86Å | ||
| 586 | I | 23.9 | Very low | 27.7 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | trans | -83.2 | 95.8 | 166.2 | -64 | 176.3 | 0 | 0 | 0 | 104.9 | S584 N588 | S584-I586 PolarHBondContact O-N 2.89Å; I586-N588 PolarHBondContact O-N 2.9Å | ||
| 587 | S | 22.9 | Very low | 25.6 | Very low | 85 Ų | 85 | 129 Ų | 129 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | trans | -45.5 | 119.3 | 156 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | L585 N589 | L585-S587 VanDerWaalsContact C-N 3.32Å; L585-S587 PolarHBondContact O-N 2.86Å; S587-N589 VanDerWaalsContact C-N 3.28Å; S587-N589 PolarHBondContact O-N 3.24Å | ||
| 588 | N | 23 | Very low | 24.1 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -63.6 | 93.6 | 158.9 | -80.9 | -6.4 | 0 | 0 | 0 | 108 | I586 | I586-N588 PolarHBondContact O-N 2.9Š| ||
| 589 | N | 23.2 | Very low | 23.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | -94 | 85.6 | 156.6 | -87.2 | -10.3 | 0 | 0 | 0 | 106.9 | S587 | S587-N589 VanDerWaalsContact C-N 3.28Å; S587-N589 PolarHBondContact O-N 3.24Å | ||
| 590 | G | 21.2 | Very low | 22.6 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 115.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 591 | H | 24.9 | Very low | 22.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -140.5 | 107.4 | 158.3 | -93.5 | -46 | 0 | 0 | 0 | 108.6 | ||||
| 592 | N | 21.3 | Very low | 21.8 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | 22 | 119.8 | 125.6 | -57.1 | -10.3 | 0 | 0 | 0 | 115.4 | |||||
| 593 | D | 23.3 | Very low | 21.5 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | 176.9 | 152 | 85.4 | -103.3 | -38.4 | 0 | 0 | 0 | 112.5 | |||||
| 594 | S | 19.8 | Very low | 21.2 | Very low | 85 Ų | 85 | 136 Ų | 136 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | -67 | 163.8 | -174.9 | 64.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 595 | R | 18.5 | Very low | 20.8 | Very low | 229 Ų | 229 | 135.8 Ų | 135.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 81.8 | 113 | 154.6 | -58.4 | 165.7 | -177 | -175.7 | 0.7 | 117.3 | ||||
| 596 | S | 21.4 | Very low | 20.6 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | 167.8 | 131.6 | 93.8 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 597 | I | 18.2 | Very low | 20.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 129.5 | 170.6 | -63.7 | 154.2 | 0 | 0 | 0 | 109.5 | ||||
| 598 | N | 19.3 | Very low | 20.2 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 159.7 | 151.5 | 130.6 | -94.1 | -26.3 | 0 | 0 | 0 | 113.8 | ||||
| 599 | E | 20.2 | Very low | 20 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 89.8 | 86.7 | 156.4 | -74.4 | 170.5 | -162.7 | 0 | 0 | 119.5 | ||||
| 600 | S | 18.9 | Very low | 19.7 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 45.7 | 115.8 | 113.3 | 62.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 601 | S | 18.9 | Very low | 19.6 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 57.6 | 103.9 | 133.3 | 64.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 602 | T | 20.6 | Very low | 19.3 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -154.8 | 118.1 | 131.9 | 31.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 603 | S | 17.3 | Very low | 19.3 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 116.6 | 167.8 | 37.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 604 | Y | 19.9 | Very low | 19.2 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | trans | -141.3 | 109.6 | 156.1 | -90.8 | -80.6 | 0 | 0 | 0 | 109.3 | ||||
| 605 | G | 16.7 | Very low | 19.2 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 138.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 606 | M | 19 | Very low | 19.4 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -149.6 | 108.2 | 159.3 | -107.3 | 165.2 | 67.9 | 0 | 0 | 108.4 | P608 | M606-P608 WeakPolarHBondContact O-CD 3.3Š| ||
| 607 | F | 17.9 | Very low | 19.4 | Very low | 205 Ų | 205 | 152 Ų | 152 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.9 | 170 | -82.2 | -94.2 | 0 | 0 | 0 | 111.1 | ||
| 608 | P | 20.5 | Very low | 19.6 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 117 | 162.2 | -0.3 | 19.2 | 0 | 0 | 0 | 109.1 | M606 | M606-P608 WeakPolarHBondContact O-CD 3.3Š|
| 609 | H | 18.9 | Very low | 19.8 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 130.9 | 174.7 | -105.7 | -99.1 | 0 | 0 | 0 | 113.3 | S611 | H609-S611 PolarHBondContact O-N 3.46Š|
| 610 | R | 18.1 | Very low | 20.1 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.8 | 154.2 | -65.7 | 176.8 | -177.5 | -137 | -12.1 | 109.1 | D38 | D38-R610 IonicContact OD1-CZ 3.64Å; D38-R610 IonicContact OD1-NH2 3.24Å; D38-R610 PolarHBondContact OD1-NH2 2.71Å; D38-R610 IonicContact OD2-CZ 3.57Å; D38-R610 IonicContact OD2-NH1 3.42Å; D38-R610 PolarHBondContact OD2-NH1 3.3Å; D38-R610 IonicContact OD2-NH2 3.26Å; D38-R610 PolarHBondContact OD2-NH2 3.15Å |
| 611 | S | 18.2 | Very low | 20.5 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -167.1 | 127 | 151.2 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | H609 | H609-S611 PolarHBondContact O-N 3.46Š| ||
| 612 | L | 18.7 | Very low | 21.1 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | 79.2 | 79.3 | 144.3 | -57.6 | 158.3 | 0 | 0 | 0 | 118.6 | ||||
| 613 | F | 20.8 | Very low | 21.8 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 95% | 0.947 | 71% | 0.713 | S | S | * | * | trans | -112.5 | 89.1 | 147.7 | -81.6 | -76.3 | 0 | 0 | 0 | 108.8 | ||||
| 614 | N | 21 | Very low | 22.4 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | -139.8 | 139.4 | 164.7 | -132.6 | -5.7 | 0 | 0 | 0 | 108.6 | ||||
| 615 | L | 20.7 | Very low | 22.9 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 65% | 0.654 | 67% | 0.665 | S | S | * | * | trans | 81.6 | 84.2 | 173.7 | -64.1 | 126.2 | 0 | 0 | 0 | 117.8 | ||||
| 616 | N | 22.3 | Very low | 23.7 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 65% | 0.651 | S | S | * | * | trans | -141.6 | 78.3 | 134.7 | -96.7 | -27.2 | 0 | 0 | 0 | 107.9 | G618 | N616-G618 PolarHBondContact O-N 2.85Š| ||
| 617 | W | 21 | Very low | 24.2 | Very low | 224 Ų | 224 | 125 Ų | 125 | 85% | 0.848 | 63% | 0.633 | S | S | * | * | trans | -75.7 | 57.7 | 159.4 | -78.1 | -8.6 | 0 | 0 | 0 | 108.9 | N619 | W617-N619 PolarHBondContact O-N 3.2Š| ||
| 618 | G | 22.9 | Very low | 24.5 | Very low | 57 Ų | 57 | 117.6 Ų | 117.6 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | trans | -68.5 | 100.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | N616 N620 | N616-G618 PolarHBondContact O-N 2.85Å; G618-N620 PolarHBondContact O-N 3.03Å | ||
| 619 | N | 23.9 | Very low | 25.1 | Very low | 139 Ų | 139 | 115.5 Ų | 115.5 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | trans | 27.4 | 70.7 | 168.5 | -70.3 | -27.2 | 0 | 0 | 0 | 112.5 | W617 R621 | W617-N619 PolarHBondContact O-N 3.2Å; N619-R621 PolarHBondContact O-N 3.42Å | ||
| 620 | N | 25.1 | Very low | 25.4 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | trans | -57.3 | 88.7 | 176.8 | -80 | -23.4 | 0 | 0 | 0 | 107.8 | G618 T622 | G618-N620 PolarHBondContact O-N 3.03Å; N620-T622 PolarHBondContact O-N 3.03Å | ||
| 621 | R | 27.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 38% | 0.377 | 59% | 0.593 | S | S | . | * | trans | -61.5 | 115.1 | 169.9 | -73.1 | -176.2 | -178 | 172 | 4.3 | 103.9 | N619 Q623 E625 V626 N723 | N619-R621 PolarHBondContact O-N 3.42Å; R621-Q623 PolarHBondContact O-N 3.44Å; R621-E625 VanDerWaalsContact CA-OE2 3.26Å; R621-E625 WeakPolarHBondContact CA-OE2 3.45Å; R621-E625 HydrophobicContact CB-CB 4.25Å; R621-V626 HydrophobicContact CB-CG2 4.01Å; R621-N723 PolarHBondContact NH2-ND2 2.88Å | ||
| 622 | T | 32.1 | Very low | 26 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | trans | -56.8 | 145.3 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 106.8 | N620 N624 E625 V626 | N620-T622 PolarHBondContact O-N 3.03Å; T622-N624 PolarHBondContact O-N 3.08Å; T622-E625 PolarHBondContact N-OE2 2.86Å; T622-E625 WeakPolarHBondContact O-CA 3.34Å; T622-E625 WeakPolarHBondContact O-CB 3.21Å; T622-E625 PolarHBondContact O-N 3.32Å; T622-E625 PolarHBondContact OG1-OE2 2.82Å; T622-V626 PolarHBondContact O-N 3.02Å | ||
| 623 | Q | 35 | Very low | 26.5 | Very low | 29 Ų | 29 | 116.3 Ų | 116.3 | 14% | 0.136 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -57.6 | -22.1 | -179.4 | -168.5 | 173.4 | -1.9 | 0 | 0 | 111.8 | R621 E625 V626 L627 | R621-Q623 PolarHBondContact O-N 3.44Å; Q623-E625 VanDerWaalsContact C-N 3.29Å; Q623-E625 PolarHBondContact O-N 2.8Å; Q623-V626 PolarHBondContact O-N 2.8Å; Q623-L627 HydrophobicContact CG-CD1 3.87Å; Q623-L627 HydrophobicContact CG-CG 4.08Å; Q623-L627 VanDerWaalsContact O-CB 3.29Å; Q623-L627 WeakPolarHBondContact O-CB 3.26Å; Q623-L627 VanDerWaalsContact O-CG 3.26Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 2.91Å |
| 624 | N | 29.3 | Very low | 26.8 | Very low | 68 Ų | 68 | 110.9 Ų | 110.9 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.1 | -34 | 167.3 | -68.8 | -23.8 | 0 | 0 | 0 | 113.6 | T622 G628 L629 | T622-N624 PolarHBondContact O-N 3.08Å; N624-G628 PolarHBondContact O-N 3.02Å; N624-L629 HydrophobicContact CB-CB 4.34Å; N624-L629 WeakPolarHBondContact O-CA 3.35Å; N624-L629 WeakPolarHBondContact O-CB 3.26Å; N624-L629 PolarHBondContact O-N 3.01Å |
| 625 | E | 31.9 | Very low | 27.1 | Very low | 61 Ų | 61 | 107.1 Ų | 107.1 | 29% | 0.285 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.8 | -32.7 | 175.2 | -68.5 | 168.8 | 147.1 | 0 | 0 | 112.4 | R621 T622 Q623 G628 | R621-E625 VanDerWaalsContact CA-OE2 3.26Å; R621-E625 WeakPolarHBondContact CA-OE2 3.45Å; R621-E625 HydrophobicContact CB-CB 4.25Å; T622-E625 PolarHBondContact N-OE2 2.86Å; T622-E625 WeakPolarHBondContact O-CA 3.34Å; T622-E625 WeakPolarHBondContact O-CB 3.21Å; T622-E625 PolarHBondContact O-N 3.32Å; T622-E625 PolarHBondContact OG1-OE2 2.82Å; Q623-E625 VanDerWaalsContact C-N 3.29Å; Q623-E625 PolarHBondContact O-N 2.8Å; E625-G628 PolarHBondContact O-N 3.27Å |
| 626 | V | 32.5 | Very low | 27.4 | Very low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -42.3 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | R621 T622 Q623 G628 | R621-V626 HydrophobicContact CB-CG2 4.01Å; T622-V626 PolarHBondContact O-N 3.02Å; Q623-V626 PolarHBondContact O-N 2.8Å; V626-G628 PolarHBondContact O-N 2.96Å |
| 627 | L | 28.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | 4.3 | 177.4 | -63.8 | 173.5 | 0 | 0 | 0 | 113.5 | Q623 L629 | Q623-L627 HydrophobicContact CG-CD1 3.87Å; Q623-L627 HydrophobicContact CG-CG 4.08Å; Q623-L627 VanDerWaalsContact O-CB 3.29Å; Q623-L627 WeakPolarHBondContact O-CB 3.26Å; Q623-L627 VanDerWaalsContact O-CG 3.26Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 2.91Å; L627-L629 HydrophobicContact CB-CD1 3.92Å; L627-L629 HydrophobicContact CB-CG 3.9Å; L627-L629 HydrophobicContact CD1-CD1 4.2Å; L627-L629 PolarHBondContact O-N 2.82Å |
| 628 | G | 25.2 | Very low | 27.7 | Very low | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 15.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | N624 E625 V626 R630 | N624-G628 PolarHBondContact O-N 3.02Å; E625-G628 PolarHBondContact O-N 3.27Å; V626-G628 PolarHBondContact O-N 2.96Å; G628-R630 VanDerWaalsContact C-N 3.29Å; G628-R630 PolarHBondContact O-N 3.39Å |
| 629 | L | 32.1 | Very low | 27.8 | Very low | 80 Ų | 80 | 102.9 Ų | 102.9 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | trans | -79.4 | -6.2 | -173.8 | -63.2 | 174.1 | 0 | 0 | 0 | 114 | N624 L627 R631 | N624-L629 HydrophobicContact CB-CB 4.34Å; N624-L629 WeakPolarHBondContact O-CA 3.35Å; N624-L629 WeakPolarHBondContact O-CB 3.26Å; N624-L629 PolarHBondContact O-N 3.01Å; L627-L629 HydrophobicContact CB-CD1 3.92Å; L627-L629 HydrophobicContact CB-CG 3.9Å; L627-L629 HydrophobicContact CD1-CD1 4.2Å; L627-L629 PolarHBondContact O-N 2.82Å; L629-R631 PolarHBondContact O-N 3.06Å | ||
| 630 | R | 25.5 | Very low | 28 | Very low | 155 Ų | 155 | 97.9 Ų | 97.9 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -74.3 | 91.1 | 158.7 | -145.8 | 175.3 | -170 | -177.8 | 0.4 | 107.3 | G628 N632 | G628-R630 VanDerWaalsContact C-N 3.29Å; G628-R630 PolarHBondContact O-N 3.39Å; R630-N632 PolarHBondContact O-N 3.38Å |
| 631 | R | 24.5 | Very low | 28.2 | Very low | 231 Ų | 231 | 93.6 Ų | 93.6 | 87% | 0.872 | 49% | 0.487 | S | S | * | . | trans | -55.6 | 74.3 | 171 | -71.5 | -176.1 | 176.6 | -179.5 | -1.1 | 110.8 | L629 | L629-R631 PolarHBondContact O-N 3.06Š| ||
| 632 | N | 26 | Very low | 28.3 | Very low | 116 Ų | 116 | 89.3 Ų | 89.3 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | trans | -103.7 | 96.5 | 156.1 | -77.8 | 4.8 | 0 | 0 | 0 | 105.6 | R630 S634 | R630-N632 PolarHBondContact O-N 3.38Å; N632-S634 PolarHBondContact O-N 2.81Å | ||
| 633 | T | 27.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 86.2 Ų | 86.2 | 75% | 0.748 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -9.4 | 118.9 | 159.2 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | S635 | T633-S635 PolarHBondContact O-N 3.12Š|
| 634 | S | 26.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 86.8 Ų | 86.8 | 72% | 0.72 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 34.8 | 152.5 | 63.5 | 0 | 0 | 0 | 0 | 120.4 | N632 | N632-S634 PolarHBondContact O-N 2.81Š|
| 635 | S | 28.6 | Very low | 28.4 | Very low | 67 Ų | 67 | 85.6 Ų | 85.6 | 47% | 0.469 | 45% | 0.454 | S | S | . | . | trans | -108.8 | 99.8 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | T633 K637 | T633-S635 PolarHBondContact O-N 3.12Å; S635-K637 PolarHBondContact O-N 2.9Å | ||
| 636 | L | 26.7 | Very low | 28.6 | Very low | 157 Ų | 157 | 87.4 Ų | 87.4 | 82% | 0.822 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 117.1 | 169.3 | -79.2 | 146.3 | 0 | 0 | 0 | 109.5 | ||
| 637 | K | 25.1 | Very low | 28.5 | Very low | 143 Ų | 143 | 86.7 Ų | 86.7 | 62% | 0.622 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 118.7 | -177.9 | -70.9 | 178.7 | 179.1 | 175.2 | 0 | 111.1 | S635 | S635-K637 PolarHBondContact O-N 2.9Š|
| 638 | S | 24.1 | Very low | 28.4 | Very low | 32 Ų | 32 | 88.3 Ų | 88.3 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 142.9 | 174.4 | -45.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 639 | F | 25.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 90.8 Ų | 90.8 | 61% | 0.614 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -97 | 135.1 | 178.8 | -61.4 | -87.7 | 0 | 0 | 0 | 110.8 | ||
| 640 | V | 27.8 | Very low | 28.1 | Very low | 33 Ų | 33 | 91.9 Ų | 91.9 | 20% | 0.2 | 49% | 0.494 | C | S | . | . | trans | -125.5 | 119.5 | 168.7 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | I695 | V640-I695 HydrophobicContact CG1-CG2 4.14Š| ||
| 641 | S | 28.9 | Very low | 28 | Very low | 25 Ų | 25 | 91.3 Ų | 91.3 | 18% | 0.175 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.3 | 172.7 | -35.4 | 0 | 0 | 0 | 0 | 110.3 | I694 | S641-I694 CarbonylContact C-O 3.47Å |
| 642 | I | 31.2 | Very low | 27.9 | Very low | 9 Ų | 9 | 85.7 Ų | 85.7 | 5% | 0.046 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.1 | -178.3 | -52.5 | -83.9 | 0 | 0 | 0 | 106.8 | L693 L724 F725 L726 I727 | I642-L693 HydrophobicContact CB-CD1 4.31Å; I642-L693 HydrophobicContact CD1-CD1 3.5Å; I642-L693 VanDerWaalsContact CD1-CD1 3.5Å; I642-L693 HydrophobicContact CG1-CD1 4.47Å; I642-L693 HydrophobicContact CG2-CD1 3.61Å; I642-L724 HydrophobicContact CD1-CB 4.29Å; I642-L724 HydrophobicContact CD1-CD2 3.23Å; I642-L724 HydrophobicContact CD1-CG 3.51Å; I642-L724 HydrophobicContact CG1-CB 3.8Å; I642-L724 HydrophobicContact CG1-CD2 3.51Å; I642-L724 HydrophobicContact CG1-CG 3.6Å; I642-L724 HydrophobicContact CG2-CD2 4.49Å; I642-F725 WeakPolarHBondContact CA-O 3.46Å; I642-F725 VanDerWaalsContact CB-O 3.23Å; I642-F725 WeakPolarHBondContact CB-O 3.43Å; I642-F725 PolarHBondContact N-O 2.96Å; I642-L726 HydrophobicContact CB-CD1 4.18Å; I642-L726 HydrophobicContact CG2-CD1 3.74Å; I642-L726 WeakPolarHBondContact O-CA 3.5Å; I642-I727 PolarHBondContact O-N 3.48Å; I642-I727 VanDerWaalsContact O-N 3.11Å |
| 643 | L | 32.1 | Very low | 27.8 | Very low | 13 Ų | 13 | 88 Ų | 88 | 7% | 0.068 | 52% | 0.516 | C | S | . | . | trans | -128.9 | 123.6 | 173.2 | -170.7 | 91.6 | 0 | 0 | 0 | 107.3 | V645 Y692 I694 I727 L732 | L643-V645 HydrophobicContact CD2-CG2 3.52Å; L643-V645 HydrophobicContact CG-CG2 4.02Å; L643-Y692 CarbonylContact O-C 3.49Å; L643-I694 HydrophobicContact CB-CB 4.35Å; L643-I694 HydrophobicContact CB-CD1 4.46Å; L643-I694 HydrophobicContact CB-CG1 4.41Å; L643-I694 HydrophobicContact CD2-CD1 3.71Å; L643-I694 HydrophobicContact CD2-CG1 4.45Å; L643-I727 HydrophobicContact CD1-CB 4.23Å; L643-I727 WeakPolarHBondContact CD1-O 3.44Å; L643-L732 HydrophobicContact CD1-CD2 4.19Å; L643-L732 HydrophobicContact CD2-CD2 3.94Å | ||
| 644 | C | 33.8 | Very low | 27.6 | Very low | 40 Ų | 40 | 87 Ų | 87 | 27% | 0.27 | 51% | 0.512 | S | S | . | . | trans | -110.1 | 121 | 170.8 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | Y692 | C644-Y692 WeakPolarHBondContact CA-O 3.4Š| ||
| 645 | V | 32.5 | Very low | 27.5 | Very low | 44 Ų | 44 | 88.8 Ų | 88.8 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | trans | -115.4 | 120.7 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | L643 Y692 | L643-V645 HydrophobicContact CD2-CG2 3.52Å; L643-V645 HydrophobicContact CG-CG2 4.02Å; V645-Y692 HydrophobicContact CB-CD2 4.29Å | ||
| 646 | Q | 34.2 | Very low | 27.4 | Very low | 98 Ų | 98 | 94.9 Ų | 94.9 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | trans | -99.3 | 124.8 | 170.8 | -173.5 | 163.4 | -35.2 | 0 | 0 | 108.7 | N648 T689 | Q646-N648 PolarHBondContact O-N 3.35Å; Q646-T689 HydrophobicContact CG-CG2 4.24Å | ||
| 647 | S | 31.1 | Very low | 27.2 | Very low | 62 Ų | 62 | 90.5 Ų | 90.5 | 43% | 0.434 | 53% | 0.527 | S | S | . | . | trans | -82.4 | 103.1 | 176.1 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | S649 | S647-S649 PolarHBondContact O-N 3.16Š| ||
| 648 | N | 27.8 | Very low | 27 | Very low | 135 Ų | 135 | 90.7 Ų | 90.7 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | trans | -77.6 | 100.8 | 173.5 | -71.5 | -8.6 | 0 | 0 | 0 | 109.9 | Q646 | Q646-N648 PolarHBondContact O-N 3.35Š| ||
| 649 | S | 25.4 | Very low | 26.9 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 71% | 0.713 | 57% | 0.566 | S | S | * | * | trans | -98.8 | 83.7 | 165.7 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | S647 | S647-S649 PolarHBondContact O-N 3.16Š| ||
| 650 | S | 23.7 | Very low | 26.7 | Very low | 103 Ų | 103 | 97 Ų | 97 | 72% | 0.72 | 57% | 0.569 | S | S | * | * | trans | -160.3 | 83.7 | 172 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 651 | T | 24.1 | Very low | 26.4 | Very low | 142 Ų | 142 | 102.8 Ų | 102.8 | 87% | 0.871 | 60% | 0.598 | S | S | * | * | trans | -137.4 | 101.3 | 156.5 | 51.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 652 | S | 23.3 | Very low | 26.1 | Very low | 114 Ų | 114 | 106.6 Ų | 106.6 | 80% | 0.797 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.6 | 169.9 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 653 | D | 23.9 | Very low | 25.5 | Very low | 165 Ų | 165 | 113.3 Ų | 113.3 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 132.8 | 167.2 | -89.6 | -39.2 | 0 | 0 | 0 | 111.4 | ||
| 654 | P | 23.6 | Very low | 25.1 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 130.4 | 157.1 | 32.9 | -20.7 | 0 | 0 | 0 | 110.7 | ||
| 655 | D | 23.7 | Very low | 24.5 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | 57.5 | 112.1 | 147 | -59.1 | -36.1 | 0 | 0 | 0 | 120.1 | ||||
| 656 | H | 26.6 | Very low | 24.2 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | -176.9 | 114.1 | 105.3 | -94.2 | -59.5 | 0 | 0 | 0 | 112.9 | |||||
| 657 | G | 22 | Very low | 23.6 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | 71.2 | 88.2 | 114.3 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 658 | N | 21.4 | Very low | 23.2 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | 29.9 | 111.3 | 126.9 | -71.4 | -21.4 | 0 | 0 | 0 | 119.4 | |||||
| 659 | I | 22.1 | Very low | 23 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -131.7 | 107.4 | 137.5 | -61 | -178 | 0 | 0 | 0 | 108.8 | ||||
| 660 | I | 21.2 | Very low | 22.8 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 67% | 0.672 | 78% | 0.781 | S | S | * | * | trans | -81.1 | 140.4 | 166.7 | -62.6 | 168.7 | 0 | 0 | 0 | 107.4 | ||||
| 661 | L | 21.2 | Very low | 22.7 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 156.3 | 115.1 | 135.4 | -84.3 | 158.8 | 0 | 0 | 0 | 110.4 | ||||
| 662 | S | 22.5 | Very low | 22.6 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 165.5 | 116.3 | 113 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 663 | N | 19.9 | Very low | 22.6 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 45.7 | 121.6 | 131.7 | -64.3 | -12.1 | 0 | 0 | 0 | 121.7 | ||||
| 664 | S | 23.6 | Very low | 22.4 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 147.7 | 100.8 | 115.3 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 665 | T | 21.1 | Very low | 22.3 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | 48.3 | 110.2 | 103.4 | 55.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 666 | T | 25.9 | Very low | 22.2 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 174.4 | 116.1 | 115.2 | 32.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 667 | N | 21.6 | Very low | 21.9 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | 41.8 | 122.1 | 129.7 | -69.2 | -12.4 | 0 | 0 | 0 | 122.2 | |||||
| 668 | S | 22.7 | Very low | 21.9 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 105 | 135.2 | 115.8 | 70.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 669 | S | 22.9 | Very low | 21.9 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 69.8 | 107.8 | 156.6 | 57.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 670 | L | 21.2 | Very low | 21.9 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | 61.4 | 96.5 | 81.8 | -93.7 | 128.9 | 0 | 0 | 0 | 115 | |||||
| 671 | S | 23.2 | Very low | 22 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -173.9 | 106.6 | 138.6 | 48.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 672 | T | 21.3 | Very low | 22.1 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | 33.5 | 94.3 | 95.5 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 673 | S | 22.1 | Very low | 22.3 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | 167 | 139.5 | 121 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 674 | A | 21.1 | Very low | 22.8 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 56.9 | 99.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q676 | A674-Q676 PolarHBondContact O-N 2.9Š| ||
| 675 | T | 21.5 | Very low | 23.3 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 56.9 | 65.7 | 131.1 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | S677 | T675-S677 PolarHBondContact O-N 2.7Š| ||
| 676 | Q | 21.1 | Very low | 23.9 | Very low | 179 Ų | 179 | 117.5 Ų | 117.5 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -71 | 107.9 | 156 | -85.5 | -177.1 | -18.2 | 0 | 0 | 109.1 | A674 S678 | A674-Q676 PolarHBondContact O-N 2.9Å; Q676-S678 PolarHBondContact O-N 3.44Å; Q676-S678 VanDerWaalsContact O-N 3.08Å | ||
| 677 | S | 21.1 | Very low | 24.4 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | trans | -34.9 | 101.7 | 137.1 | 52 | 0 | 0 | 0 | 0 | 110.6 | T675 | T675-S677 PolarHBondContact O-N 2.7Š| ||
| 678 | S | 21.7 | Very low | 25.4 | Very low | 92 Ų | 92 | 110 Ų | 110 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | trans | -135 | 132.2 | 167.2 | 57 | 0 | 0 | 0 | 0 | 109.4 | Q676 | Q676-S678 PolarHBondContact O-N 3.44Å; Q676-S678 VanDerWaalsContact O-N 3.08Å | ||
| 679 | S | 21.7 | Very low | 26.4 | Very low | 111 Ų | 111 | 107.2 Ų | 107.2 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | 57.3 | 70.5 | 170.5 | 58.2 | 0 | 0 | 0 | 0 | 115.6 | S681 | S679-S681 PolarHBondContact O-N 2.87Š| ||
| 680 | S | 22.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 104 Ų | 104 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | trans | -56.9 | 106.9 | 133.3 | 55.9 | 0 | 0 | 0 | 0 | 105.6 | S682 | S680-S682 PolarHBondContact O-N 2.81Š| ||
| 681 | S | 22.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 96.7 Ų | 96.7 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | trans | -37.5 | 110.2 | 167 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | S679 | S679-S681 PolarHBondContact O-N 2.87Š| ||
| 682 | S | 23.2 | Very low | 30.2 | Very low | 103 Ų | 103 | 94.6 Ų | 94.6 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | trans | -47.9 | 124.2 | 158.7 | 26.6 | 0 | 0 | 0 | 0 | 105.6 | S680 S684 | S680-S682 PolarHBondContact O-N 2.81Å; S682-S684 PolarHBondContact O-N 3.06Å | ||
| 683 | P | 27.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 89 Ų | 89 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | trans | -54.6 | 119.3 | -179.9 | 22.1 | -29.6 | 0 | 0 | 0 | 105.7 | N685 | P683-N685 PolarHBondContact O-N 3.28Å; P683-N685 VanDerWaalsContact O-N 3.12Å | ||
| 684 | S | 29.1 | Very low | 32.9 | Very low | 86 Ų | 86 | 85.5 Ų | 85.5 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | trans | -38.4 | 124.7 | 172 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | S682 T686 | S682-S684 PolarHBondContact O-N 3.06Å; S684-T686 PolarHBondContact O-N 2.98Å | ||
| 685 | N | 34 | Very low | 34.3 | Very low | 165 Ų | 165 | 81.9 Ų | 81.9 | 88% | 0.882 | 51% | 0.505 | S | S | * | . | trans | -55.8 | 82.3 | 172.6 | -85.7 | -16.9 | 0 | 0 | 0 | 108 | P683 P687 | P683-N685 PolarHBondContact O-N 3.28Å; P683-N685 VanDerWaalsContact O-N 3.12Å; N685-P687 WeakPolarHBondContact O-CD 3.27Å | ||
| 686 | T | 34.4 | Very low | 35.6 | Very low | 45 Ų | 45 | 78.2 Ų | 78.2 | 28% | 0.276 | 48% | 0.479 | S | S | . | . | trans | -69.5 | 118.4 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 104.7 | S684 V688 P835 | S684-T686 PolarHBondContact O-N 2.98Å; T686-V688 PolarHBondContact O-N 2.89Å; T686-P835 VanDerWaalsContact CB-CG 3.46Å; T686-P835 HydrophobicContact CG2-CG 3.34Å | ||
| 687 | P | 36.2 | Very low | 36.9 | Very low | 82 Ų | 82 | 70 Ų | 70 | 53% | 0.532 | 44% | 0.441 | S | S | . | . | trans | -62.6 | 100.8 | -174.3 | 23.6 | -31.8 | 0 | 0 | 0 | 108.8 | N685 T689 | N685-P687 WeakPolarHBondContact O-CD 3.27Å; P687-T689 PolarHBondContact O-N 2.92Å; P687-T689 VanDerWaalsContact O-N 3.12Å | ||
| 688 | V | 42.3 | Very low | 38 | Very low | 41 Ų | 41 | 65.2 Ų | 65.2 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | trans | -69.6 | 106 | 172.7 | 172.3 | 0 | 0 | 0 | 0 | 106.4 | T686 N690 L836 R838 | T686-V688 PolarHBondContact O-N 2.89Å; V688-N690 PolarHBondContact O-N 2.83Å; V688-L836 WeakPolarHBondContact CA-O 3.23Å; V688-L836 VanDerWaalsContact CG1-O 3.29Å; V688-L836 WeakPolarHBondContact CG1-O 3.39Å; V688-L836 HydrophobicContact CG2-CB 4.38Å; V688-R838 HydrophobicContact CG1-CB 4.06Å; V688-R838 HydrophobicContact CG1-CG 3.64Å | ||
| 689 | T | 43.1 | Very low | 39 | Very low | 49 Ų | 49 | 62.6 Ų | 62.6 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | trans | -74.9 | 112 | 173 | -32.3 | 0 | 0 | 0 | 0 | 107.9 | Q646 P687 F691 S837 R838 | Q646-T689 HydrophobicContact CG-CG2 4.24Å; P687-T689 PolarHBondContact O-N 2.92Å; P687-T689 VanDerWaalsContact O-N 3.12Å; T689-F691 HydrophobicContact CG2-CE2 3.94Å; T689-F691 HydrophobicContact CG2-CZ 3.84Å; T689-S837 WeakPolarHBondContact O-CA 3.43Å; T689-R838 PolarHBondContact O-N 2.87Å | ||
| 690 | N | 49.8 | Very low | 40.1 | Very low | 35 Ų | 35 | 62.5 Ų | 62.5 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.3 | 172.8 | -61.9 | -59.1 | 0 | 0 | 0 | 108.8 | V688 Y692 R838 | V688-N690 PolarHBondContact O-N 2.83Å; N690-Y692 HydrophobicContact CB-CD2 4.5Å; N690-Y692 HydrophobicContact CB-CE2 3.68Å; N690-R838 CarbonylContact C-O 3.56Å; N690-R838 VanDerWaalsContact CA-O 3.29Å; N690-R838 WeakPolarHBondContact CA-O 3.35Å; N690-R838 VanDerWaalsContact OD1-CB 3.26Å; N690-R838 WeakPolarHBondContact OD1-CB 3.3Å |
| 691 | F | 47 | Very low | 41.1 | Very low | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.2 | 171.5 | -66.1 | -84.4 | 0 | 0 | 0 | 108 | T689 A802 R838 F839 H840 | T689-F691 HydrophobicContact CG2-CE2 3.94Å; T689-F691 HydrophobicContact CG2-CZ 3.84Å; F691-A802 HydrophobicContact CE1-CB 3.65Å; F691-A802 HydrophobicContact CE2-CB 4.24Å; F691-A802 HydrophobicContact CZ-CB 3.48Å; F691-A802 VanDerWaalsContact CZ-CB 3.48Å; F691-R838 PolarHBondContact N-O 3.07Å; F691-F839 HydrophobicContact CB-CD2 3.48Å; F691-F839 VanDerWaalsContact CB-CD2 3.48Å; F691-F839 HydrophobicContact CB-CE2 3.99Å; F691-F839 HydrophobicContact CB-CG 4.39Å; F691-F839 HydrophobicContact CG-CD2 4.33Å; F691-F839 CarbonylContact O-C 3.6Å; F691-F839 WeakPolarHBondContact O-CA 3.26Å; F691-H840 PolarHBondContact O-N 3.36Å |
| 692 | Y | 50.4 | Low | 42 | Very low | 63 Ų | 63 | 54.5 Ų | 54.5 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145.7 | 175.7 | -62.7 | -91.9 | 0 | 0 | 0 | 109.2 | L643 C644 V645 N690 H840 I842 | L643-Y692 CarbonylContact O-C 3.49Å; C644-Y692 WeakPolarHBondContact CA-O 3.4Å; V645-Y692 HydrophobicContact CB-CD2 4.29Å; N690-Y692 HydrophobicContact CB-CD2 4.5Å; N690-Y692 HydrophobicContact CB-CE2 3.68Å; Y692-H840 CarbonylContact C-O 3.51Å; Y692-H840 WeakPolarHBondContact CA-O 3.29Å; Y692-H840 HydrophobicContact CD1-CB 3.61Å; Y692-H840 AromaticContact CD1-CD2 3.88Å; Y692-H840 HydrophobicContact CE1-CB 3.91Å; Y692-H840 AromaticContact CE1-CD2 3.38Å; Y692-H840 WeakPolarHBondContact CE1-CD2 3.17Å; Y692-H840 AromaticContact CE1-CG 3.78Å; Y692-H840 HydrophobicContact CG-CB 4.4Å; Y692-H840 AromaticContact CZ-CD2 3.69Å; Y692-I842 HydrophobicContact CD1-CD1 3.9Å; Y692-I842 HydrophobicContact CE1-CD1 4.44Å |
| 693 | L | 50 | Low | 42.8 | Very low | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 99.2 | 172 | 172.9 | 60.9 | 0 | 0 | 0 | 106.7 | I642 I695 F839 H840 I841 I842 V910 | I642-L693 HydrophobicContact CB-CD1 4.31Å; I642-L693 HydrophobicContact CD1-CD1 3.5Å; I642-L693 VanDerWaalsContact CD1-CD1 3.5Å; I642-L693 HydrophobicContact CG1-CD1 4.47Å; I642-L693 HydrophobicContact CG2-CD1 3.61Å; L693-I695 HydrophobicContact CG-CG1 4.42Å; L693-F839 HydrophobicContact CB-CE1 4.08Å; L693-F839 HydrophobicContact CB-CZ 3.84Å; L693-F839 HydrophobicContact CD2-CE1 4.13Å; L693-F839 HydrophobicContact CD2-CZ 4.06Å; L693-H840 PolarHBondContact N-O 3.22Å; L693-I841 HydrophobicContact CB-CG1 4.25Å; L693-I841 HydrophobicContact CD2-CD1 4.1Å; L693-I841 HydrophobicContact CD2-CG1 4Å; L693-I841 HydrophobicContact CD2-CG2 4.13Å; L693-I841 HydrophobicContact CG-CG2 4.26Å; L693-I841 CarbonylContact O-C 3.57Å; L693-I841 VanDerWaalsContact O-CA 3.29Å; L693-I841 WeakPolarHBondContact O-CA 3.14Å; L693-I842 PolarHBondContact O-N 3.19Å; L693-V910 HydrophobicContact CD2-CG1 4.24Å |
| 694 | I | 49.9 | Very low | 43.3 | Very low | 41 Ų | 41 | 49 Ų | 49 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.2 | -178.3 | -52.8 | -177 | 0 | 0 | 0 | 109.5 | S641 L643 I696 I842 V844 | S641-I694 CarbonylContact C-O 3.47Å; L643-I694 HydrophobicContact CB-CB 4.35Å; L643-I694 HydrophobicContact CB-CD1 4.46Å; L643-I694 HydrophobicContact CB-CG1 4.41Å; L643-I694 HydrophobicContact CD2-CD1 3.71Å; L643-I694 HydrophobicContact CD2-CG1 4.45Å; I694-I696 HydrophobicContact CG2-CG1 4.41Å; I694-I842 CarbonylContact C-O 3.54Å; I694-I842 VanDerWaalsContact CA-O 3.32Å; I694-I842 WeakPolarHBondContact CA-O 3.29Å; I694-I842 HydrophobicContact CG1-CB 4.41Å; I694-V844 HydrophobicContact CG2-CG2 3.69Å |
| 695 | I | 50.4 | Low | 43.6 | Very low | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.8 | 177.6 | -63.8 | 169.3 | 0 | 0 | 0 | 108.6 | V640 L693 I841 I842 F843 V844 V910 | V640-I695 HydrophobicContact CG1-CG2 4.14Å; L693-I695 HydrophobicContact CG-CG1 4.42Å; I695-I841 HydrophobicContact CD1-CG2 3.77Å; I695-I841 HydrophobicContact CG1-CG2 4.5Å; I695-I842 PolarHBondContact N-O 2.79Å; I695-F843 HydrophobicContact CB-CD1 3.82Å; I695-F843 HydrophobicContact CB-CE1 3.98Å; I695-F843 HydrophobicContact CD1-CD1 4.23Å; I695-F843 HydrophobicContact CD1-CE1 3.54Å; I695-F843 HydrophobicContact CD1-CE2 4.41Å; I695-F843 HydrophobicContact CD1-CZ 3.65Å; I695-F843 HydrophobicContact CG1-CE1 4.36Å; I695-F843 HydrophobicContact CG2-CD1 3.73Å; I695-F843 HydrophobicContact CG2-CE1 3.79Å; I695-F843 CarbonylContact O-C 3.5Å; I695-F843 WeakPolarHBondContact O-CA 3.04Å; I695-V844 PolarHBondContact O-N 2.66Å; I695-V910 HydrophobicContact CD1-CG2 4.06Å |
| 696 | I | 49.5 | Very low | 43.7 | Very low | 61 Ų | 61 | 52.8 Ų | 52.8 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.6 | 178.7 | -55 | 175.8 | 0 | 0 | 0 | 109.4 | I694 V844 | I694-I696 HydrophobicContact CG2-CG1 4.41Å; I696-V844 CarbonylContact C-O 3.57Å; I696-V844 WeakPolarHBondContact CA-O 3.08Å |
| 697 | I | 47.8 | Very low | 43.6 | Very low | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.6 | 175.4 | -63.8 | 170.2 | 0 | 0 | 0 | 108.3 | L701 F843 V844 A845 L869 L902 I903 | I697-L701 HydrophobicContact CG2-CB 4.06Å; I697-L701 HydrophobicContact CG2-CD1 4.3Å; I697-F843 HydrophobicContact CD1-CB 4.39Å; I697-F843 HydrophobicContact CD1-CD1 3.88Å; I697-F843 HydrophobicContact CG1-CD1 4.5Å; I697-V844 PolarHBondContact N-O 3.11Å; I697-A845 HydrophobicContact CB-CB 4.32Å; I697-A845 WeakPolarHBondContact O-CA 3.08Å; I697-L869 HydrophobicContact CD1-CD1 3.76Å; I697-L902 HydrophobicContact CD1-CD2 4.08Å; I697-L902 HydrophobicContact CG1-CD2 4.37Å; I697-L902 HydrophobicContact CG2-CD2 3.55Å; I697-I903 HydrophobicContact CD1-CG1 4.05Å |
| 698 | P | 44.1 | Very low | 43.5 | Very low | 24 Ų | 24 | 56.6 Ų | 56.6 | 16% | 0.156 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 141.2 | 175.9 | -26.5 | 30.8 | 0 | 0 | 0 | 113.7 | Y700 L701 | P698-Y700 VanDerWaalsContact C-N 3.3Å; P698-Y700 HydrophobicContact CB-CD1 3.76Å; P698-Y700 HydrophobicContact CB-CE1 3.33Å; P698-Y700 HydrophobicContact CB-CE2 4.48Å; P698-Y700 HydrophobicContact CB-CG 4.5Å; P698-Y700 HydrophobicContact CG-CE1 4.14Å; P698-Y700 PolarHBondContact O-N 3.5Å; P698-L701 HydrophobicContact CB-CD1 4.48Å; P698-L701 HydrophobicContact CG-CD1 4.28Å; P698-L701 WeakPolarHBondContact O-CB 3.31Å; P698-L701 PolarHBondContact O-N 2.81Å |
| 699 | S | 44 | Very low | 43.1 | Very low | 37 Ų | 37 | 57.9 Ų | 57.9 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.4 | -41.1 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | L701 C702 N703 N846 | S699-L701 PolarHBondContact O-N 2.99Å; S699-C702 WeakPolarHBondContact O-CB 3.19Å; S699-C702 PolarHBondContact O-N 2.9Å; S699-N703 PolarHBondContact O-N 2.98Å; S699-N703 VanDerWaalsContact O-N 3.16Å; S699-N846 WeakPolarHBondContact CA-O 3.49Å; S699-N846 WeakPolarHBondContact CB-O 3.48Å |
| 700 | Y | 44.5 | Very low | 42.5 | Very low | 110 Ų | 110 | 60.4 Ų | 60.4 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -21.2 | -178.8 | 65.7 | -99.2 | 0 | 0 | 0 | 113.6 | P698 | P698-Y700 VanDerWaalsContact C-N 3.3Å; P698-Y700 HydrophobicContact CB-CD1 3.76Å; P698-Y700 HydrophobicContact CB-CE1 3.33Å; P698-Y700 HydrophobicContact CB-CE2 4.48Å; P698-Y700 HydrophobicContact CB-CG 4.5Å; P698-Y700 HydrophobicContact CG-CE1 4.14Å; P698-Y700 PolarHBondContact O-N 3.5Å |
| 701 | L | 42.7 | Very low | 41.7 | Very low | 33 Ų | 33 | 61.7 Ų | 61.7 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.2 | -26.5 | 173 | -66.9 | 174.8 | 0 | 0 | 0 | 111.9 | I697 P698 S699 S704 L902 | I697-L701 HydrophobicContact CG2-CB 4.06Å; I697-L701 HydrophobicContact CG2-CD1 4.3Å; P698-L701 HydrophobicContact CB-CD1 4.48Å; P698-L701 HydrophobicContact CG-CD1 4.28Å; P698-L701 WeakPolarHBondContact O-CB 3.31Å; P698-L701 PolarHBondContact O-N 2.81Å; S699-L701 PolarHBondContact O-N 2.99Å; L701-S704 PolarHBondContact O-OG 3.07Å; L701-L902 HydrophobicContact CB-CD2 4.21Å; L701-L902 HydrophobicContact CD1-CD2 4.29Å |
| 702 | C | 42.5 | Very low | 40.8 | Very low | 18 Ų | 18 | 65.7 Ų | 65.7 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78.3 | -34.9 | 176.7 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | S699 S704 A845 | S699-C702 WeakPolarHBondContact O-CB 3.19Å; S699-C702 PolarHBondContact O-N 2.9Å; C702-S704 VanDerWaalsContact C-N 3.33Å; C702-S704 PolarHBondContact O-N 2.69Å; C702-A845 WeakPolarHBondContact SG-CB 3.33Å |
| 703 | N | 38.8 | Very low | 39.9 | Very low | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -79.1 | 72.7 | 176.1 | -75.5 | -10 | 0 | 0 | 0 | 111.6 | S699 | S699-N703 PolarHBondContact O-N 2.98Å; S699-N703 VanDerWaalsContact O-N 3.16Å |
| 704 | S | 38.3 | Very low | 39 | Very low | 15 Ų | 15 | 71.5 Ų | 71.5 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | trans | -130.2 | 70.5 | -168.9 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | L701 C702 L706 L707 T898 | L701-S704 PolarHBondContact O-OG 3.07Å; C702-S704 VanDerWaalsContact C-N 3.33Å; C702-S704 PolarHBondContact O-N 2.69Å; S704-L706 PolarHBondContact O-N 3.4Å; S704-L707 PolarHBondContact O-N 2.98Å; S704-L707 VanDerWaalsContact OG-CD1 3.29Å; S704-L707 WeakPolarHBondContact OG-CD1 3.5Å; S704-T898 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 705 | H | 35.2 | Very low | 38.2 | Very low | 187 Ų | 187 | 73.9 Ų | 73.9 | 87% | 0.866 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -59.2 | -17.6 | 142.3 | -84.1 | -71.3 | 0 | 0 | 0 | 111.9 | ||
| 706 | L | 37.4 | Very low | 37.3 | Very low | 144 Ų | 144 | 79.1 Ų | 79.1 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -75.4 | -17.2 | 176.5 | -81.6 | 153.6 | 0 | 0 | 0 | 114.9 | S704 N708 | S704-L706 PolarHBondContact O-N 3.4Å; L706-N708 VanDerWaalsContact C-N 3.34Å; L706-N708 PolarHBondContact O-N 3.12Å |
| 707 | L | 32.1 | Very low | 36.5 | Very low | 58 Ų | 58 | 80 Ų | 80 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -75.8 | -20.9 | -178.3 | -98.3 | 166.3 | 0 | 0 | 0 | 113.2 | S704 G709 L710 T898 L902 | S704-L707 PolarHBondContact O-N 2.98Å; S704-L707 VanDerWaalsContact OG-CD1 3.29Å; S704-L707 WeakPolarHBondContact OG-CD1 3.5Å; L707-G709 PolarHBondContact O-N 3.02Å; L707-G709 VanDerWaalsContact O-N 3.14Å; L707-L710 HydrophobicContact CD2-CD1 3.98Å; L707-L710 PolarHBondContact O-N 3.33Å; L707-T898 HydrophobicContact CB-CG2 4.15Å; L707-T898 HydrophobicContact CD1-CG2 4.16Å; L707-L902 HydrophobicContact CD1-CD1 4.17Å |
| 708 | N | 33.4 | Very low | 35.7 | Very low | 149 Ų | 149 | 82.2 Ų | 82.2 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -70.8 | -6.1 | 179.7 | -79.8 | -15.5 | 0 | 0 | 0 | 114.4 | L706 | L706-N708 VanDerWaalsContact C-N 3.34Å; L706-N708 PolarHBondContact O-N 3.12Å |
| 709 | G | 34.3 | Very low | 35.1 | Very low | 68 Ų | 68 | 86.3 Ų | 86.3 | 70% | 0.701 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -114.6 | -5.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | L707 S711 | L707-G709 PolarHBondContact O-N 3.02Å; L707-G709 VanDerWaalsContact O-N 3.14Å; G709-S711 PolarHBondContact O-N 3.26Å |
| 710 | L | 30.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 94.1 Ų | 94.1 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | trans | -78.5 | 110.9 | -172 | -69.5 | 177.7 | 0 | 0 | 0 | 111.1 | L707 L714 | L707-L710 HydrophobicContact CD2-CD1 3.98Å; L707-L710 PolarHBondContact O-N 3.33Å; L710-L714 HydrophobicContact CD2-CD1 3.89Å | ||
| 711 | S | 31.7 | Very low | 33.6 | Very low | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | trans | -55.6 | 148.8 | 176.3 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | G709 L713 L714 | G709-S711 PolarHBondContact O-N 3.26Å; S711-L713 PolarHBondContact O-N 2.74Å; S711-L714 PolarHBondContact O-N 2.9Å | ||
| 712 | P | 29.3 | Very low | 32.8 | Very low | 102 Ų | 102 | 94.3 Ų | 94.3 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -6.5 | -175.9 | 21.3 | -31.7 | 0 | 0 | 0 | 115.4 | L714 I715 | P712-L714 VanDerWaalsContact C-N 3.31Å; P712-L714 PolarHBondContact O-N 3.01Å; P712-I715 HydrophobicContact CB-CD1 4.26Å; P712-I715 PolarHBondContact O-N 2.95Å |
| 713 | L | 30.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 97.9 Ų | 97.9 | 72% | 0.723 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -31 | 175.1 | -83.8 | 155.2 | 0 | 0 | 0 | 113 | S711 I715 | S711-L713 PolarHBondContact O-N 2.74Å; L713-I715 VanDerWaalsContact C-N 3.35Å |
| 714 | L | 32.2 | Very low | 31.6 | Very low | 55 Ų | 55 | 99.4 Ų | 99.4 | 29% | 0.288 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -79.8 | -14 | 178 | -84.6 | 157.1 | 0 | 0 | 0 | 113.8 | L710 S711 P712 N716 D717 F718 | L710-L714 HydrophobicContact CD2-CD1 3.89Å; S711-L714 PolarHBondContact O-N 2.9Å; P712-L714 VanDerWaalsContact C-N 3.31Å; P712-L714 PolarHBondContact O-N 3.01Å; L714-N716 VanDerWaalsContact C-N 3.29Å; L714-N716 PolarHBondContact O-N 2.84Å; L714-D717 PolarHBondContact O-N 3.14Å; L714-F718 PolarHBondContact O-N 3.13Å; L714-F718 VanDerWaalsContact O-N 3.12Å |
| 715 | I | 33 | Very low | 31.1 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -34.1 | 176.6 | -66.1 | 172.8 | 0 | 0 | 0 | 110.7 | P712 L713 F718 I719 | P712-I715 HydrophobicContact CB-CD1 4.26Å; P712-I715 PolarHBondContact O-N 2.95Å; L713-I715 VanDerWaalsContact C-N 3.35Å; I715-F718 WeakPolarHBondContact O-CB 3.47Å; I715-F718 PolarHBondContact O-N 2.88Å; I715-I719 PolarHBondContact O-N 3.28Å |
| 716 | N | 31.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 99.3 Ų | 99.3 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.6 | -31.5 | 177.1 | -88.1 | -16.1 | 0 | 0 | 0 | 112.9 | L714 F718 I719 | L714-N716 VanDerWaalsContact C-N 3.29Å; L714-N716 PolarHBondContact O-N 2.84Å; N716-F718 VanDerWaalsContact C-N 3.31Å; N716-I719 PolarHBondContact O-N 3.18Å |
| 717 | D | 32.2 | Very low | 30.3 | Very low | 78 Ų | 78 | 94.6 Ų | 94.6 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.9 | -30.8 | 174.1 | -70.8 | -25.4 | 0 | 0 | 0 | 111.2 | L714 I719 R720 | L714-D717 PolarHBondContact O-N 3.14Å; D717-I719 VanDerWaalsContact C-N 3.26Å; D717-I719 PolarHBondContact O-N 3.03Å; D717-R720 PolarHBondContact O-N 3.44Å; D717-R720 VanDerWaalsContact O-N 3.15Å |
| 718 | F | 31.4 | Very low | 30.5 | Very low | 54 Ų | 54 | 94.4 Ų | 94.4 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -62.4 | -29.1 | 173.6 | -119 | -84.8 | 0 | 0 | 0 | 113.7 | L714 I715 N716 R720 L721 L902 I905 | L714-F718 PolarHBondContact O-N 3.13Å; L714-F718 VanDerWaalsContact O-N 3.12Å; I715-F718 WeakPolarHBondContact O-CB 3.47Å; I715-F718 PolarHBondContact O-N 2.88Å; N716-F718 VanDerWaalsContact C-N 3.31Å; F718-R720 PolarHBondContact O-N 3.26Å; F718-L721 HydrophobicContact CD1-CD1 4.05Å; F718-L721 HydrophobicContact CE1-CD1 4.32Å; F718-L721 WeakPolarHBondContact O-CD1 3.34Å; F718-L721 WeakPolarHBondContact O-CG 3.26Å; F718-L902 HydrophobicContact CZ-CD1 4.14Å; F718-I905 HydrophobicContact CB-CG2 4.43Å; F718-I905 HydrophobicContact CD1-CG2 3.88Å; F718-I905 HydrophobicContact CG-CG2 4.44Å |
| 719 | I | 30.6 | Very low | 30.4 | Very low | 110 Ų | 110 | 93.7 Ų | 93.7 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.6 | 179.1 | -65.4 | 170.3 | 0 | 0 | 0 | 111.4 | I715 N716 D717 L721 | I715-I719 PolarHBondContact O-N 3.28Å; N716-I719 PolarHBondContact O-N 3.18Å; D717-I719 VanDerWaalsContact C-N 3.26Å; D717-I719 PolarHBondContact O-N 3.03Å; I719-L721 VanDerWaalsContact C-N 3.28Å; I719-L721 PolarHBondContact O-N 2.86Å |
| 720 | R | 29.1 | Very low | 30.5 | Very low | 201 Ų | 201 | 95.7 Ų | 95.7 | 76% | 0.758 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 21.3 | -177.8 | -64.1 | -171.5 | 175.3 | -161.3 | -0.8 | 114.8 | D717 F718 S722 | D717-R720 PolarHBondContact O-N 3.44Å; D717-R720 VanDerWaalsContact O-N 3.15Å; F718-R720 PolarHBondContact O-N 3.26Å; R720-S722 PolarHBondContact O-N 3.44Å |
| 721 | L | 27.9 | Very low | 30.7 | Very low | 55 Ų | 55 | 96.1 Ų | 96.1 | 29% | 0.288 | 50% | 0.499 | S | S | . | . | trans | -70.7 | 71.5 | 175.8 | -74.5 | 166.9 | 0 | 0 | 0 | 111.8 | F718 I719 | F718-L721 HydrophobicContact CD1-CD1 4.05Å; F718-L721 HydrophobicContact CE1-CD1 4.32Å; F718-L721 WeakPolarHBondContact O-CD1 3.34Å; F718-L721 WeakPolarHBondContact O-CG 3.26Å; I719-L721 VanDerWaalsContact C-N 3.28Å; I719-L721 PolarHBondContact O-N 2.86Å | ||
| 722 | S | 27.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 94.5 Ų | 94.5 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | trans | -114.3 | 71 | 174.2 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | R720 | R720-S722 PolarHBondContact O-N 3.44Š| ||
| 723 | N | 28.3 | Very low | 31.1 | Very low | 94 Ų | 94 | 91.7 Ų | 91.7 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | trans | -154.1 | 103.9 | 156.5 | -74.4 | -57.5 | 0 | 0 | 0 | 108.3 | R621 | R621-N723 PolarHBondContact NH2-ND2 2.88Š| ||
| 724 | L | 27.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 91.5 Ų | 91.5 | 63% | 0.628 | 46% | 0.463 | S | S | * | . | trans | -83.3 | 128.7 | 171.4 | -87.5 | 87.8 | 0 | 0 | 0 | 108.9 | I642 | I642-L724 HydrophobicContact CD1-CB 4.29Å; I642-L724 HydrophobicContact CD1-CD2 3.23Å; I642-L724 HydrophobicContact CD1-CG 3.51Å; I642-L724 HydrophobicContact CG1-CB 3.8Å; I642-L724 HydrophobicContact CG1-CD2 3.51Å; I642-L724 HydrophobicContact CG1-CG 3.6Å; I642-L724 HydrophobicContact CG2-CD2 4.49Å | ||
| 725 | F | 27.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 94.4 Ų | 94.4 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.6 | 165.8 | -81.8 | -85.7 | 0 | 0 | 0 | 110.5 | I642 | I642-F725 WeakPolarHBondContact CA-O 3.46Å; I642-F725 VanDerWaalsContact CB-O 3.23Å; I642-F725 WeakPolarHBondContact CB-O 3.43Å; I642-F725 PolarHBondContact N-O 2.96Å |
| 726 | L | 27.3 | Very low | 31.5 | Very low | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.5 | 173.1 | -135.8 | 87.1 | 0 | 0 | 0 | 109.6 | I642 T795 | I642-L726 HydrophobicContact CB-CD1 4.18Å; I642-L726 HydrophobicContact CG2-CD1 3.74Å; I642-L726 WeakPolarHBondContact O-CA 3.5Å; L726-T795 HydrophobicContact CD2-CG2 3.77Å |
| 727 | I | 29.4 | Very low | 31.6 | Very low | 44 Ų | 44 | 92.4 Ų | 92.4 | 23% | 0.226 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 140.1 | 173.9 | -60.5 | 174.8 | 0 | 0 | 0 | 109 | I642 L643 E731 L732 | I642-I727 PolarHBondContact O-N 3.48Å; I642-I727 VanDerWaalsContact O-N 3.11Å; L643-I727 HydrophobicContact CD1-CB 4.23Å; L643-I727 WeakPolarHBondContact CD1-O 3.44Å; I727-E731 HydrophobicContact CG2-CB 4.1Å; I727-L732 HydrophobicContact CD1-CD1 4.41Å; I727-L732 HydrophobicContact CG2-CB 4.17Å; I727-L732 HydrophobicContact CG2-CD1 4.08Å |
| 728 | S | 34.5 | Very low | 31.4 | Very low | 54 Ų | 54 | 95.3 Ų | 95.3 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -77 | 153.6 | 173.1 | 70.1 | 0 | 0 | 0 | 0 | 112 | D730 E731 L732 | S728-D730 VanDerWaalsContact C-N 3.26Å; S728-D730 PolarHBondContact O-N 3.24Å; S728-E731 PolarHBondContact N-OE2 3.35Å; S728-E731 PolarHBondContact O-N 3Å; S728-E731 WeakPolarHBondContact OG-CB 3.25Å; S728-E731 VanDerWaalsContact OG-CD 3.22Å; S728-E731 VanDerWaalsContact OG-CG 3.22Å; S728-E731 WeakPolarHBondContact OG-CG 3.49Å; S728-E731 PolarHBondContact OG-N 2.9Å; S728-E731 PolarHBondContact OG-OE2 2.95Å; S728-L732 PolarHBondContact O-N 3.46Å |
| 729 | F | 32.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 100.6 Ų | 100.6 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | 178.8 | -174.4 | -95.2 | 0 | 0 | 0 | 112.5 | L732 S733 | F729-L732 PolarHBondContact O-N 2.92Å; F729-S733 WeakPolarHBondContact O-CB 3.3Å; F729-S733 PolarHBondContact O-N 3.42Å |
| 730 | D | 36.9 | Very low | 31.1 | Very low | 111 Ų | 111 | 101.2 Ų | 101.2 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.8 | -44.1 | 179.7 | -88.8 | -3.5 | 0 | 0 | 0 | 112.6 | S728 L732 S733 Q734 | S728-D730 VanDerWaalsContact C-N 3.26Å; S728-D730 PolarHBondContact O-N 3.24Å; D730-L732 VanDerWaalsContact C-N 3.26Å; D730-L732 PolarHBondContact O-N 3.47Å; D730-S733 WeakPolarHBondContact O-CB 3.14Å; D730-S733 PolarHBondContact O-N 2.74Å; D730-Q734 WeakPolarHBondContact O-CG 3.5Å; D730-Q734 PolarHBondContact O-N 3.13Å |
| 731 | E | 34.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 175.8 | -74 | 165.8 | 147.6 | 0 | 0 | 111.2 | I727 S728 L735 | I727-E731 HydrophobicContact CG2-CB 4.1Å; S728-E731 PolarHBondContact N-OE2 3.35Å; S728-E731 PolarHBondContact O-N 3Å; S728-E731 WeakPolarHBondContact OG-CB 3.25Å; S728-E731 VanDerWaalsContact OG-CD 3.22Å; S728-E731 VanDerWaalsContact OG-CG 3.22Å; S728-E731 WeakPolarHBondContact OG-CG 3.49Å; S728-E731 PolarHBondContact OG-N 2.9Å; S728-E731 PolarHBondContact OG-OE2 2.95Å; E731-L735 WeakPolarHBondContact O-CB 3.34Å; E731-L735 PolarHBondContact O-N 3.21Å |
| 732 | L | 33.6 | Very low | 30.7 | Very low | 30 Ų | 30 | 102.1 Ų | 102.1 | 16% | 0.157 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 176.4 | -157.7 | 88.1 | 0 | 0 | 0 | 111.9 | L643 I727 S728 F729 D730 Q734 L735 F736 | L643-L732 HydrophobicContact CD1-CD2 4.19Å; L643-L732 HydrophobicContact CD2-CD2 3.94Å; I727-L732 HydrophobicContact CD1-CD1 4.41Å; I727-L732 HydrophobicContact CG2-CB 4.17Å; I727-L732 HydrophobicContact CG2-CD1 4.08Å; S728-L732 PolarHBondContact O-N 3.46Å; F729-L732 PolarHBondContact O-N 2.92Å; D730-L732 VanDerWaalsContact C-N 3.26Å; D730-L732 PolarHBondContact O-N 3.47Å; L732-Q734 VanDerWaalsContact C-N 3.3Å; L732-Q734 PolarHBondContact O-N 2.91Å; L732-L735 WeakPolarHBondContact O-CB 3.37Å; L732-L735 PolarHBondContact O-N 3.39Å; L732-F736 HydrophobicContact CD1-CE2 3.92Å; L732-F736 HydrophobicContact CD2-CD2 4.22Å; L732-F736 HydrophobicContact CD2-CE2 3.9Å; L732-F736 HydrophobicContact CG-CD2 3.84Å; L732-F736 HydrophobicContact CG-CE2 3.61Å; L732-F736 VanDerWaalsContact O-CD2 3.22Å; L732-F736 WeakPolarHBondContact O-CD2 3.04Å; L732-F736 PolarHBondContact O-N 2.71Å; L732-F736 VanDerWaalsContact O-N 3.08Å |
| 733 | S | 35.9 | Very low | 30.6 | Very low | 43 Ų | 43 | 103.5 Ų | 103.5 | 30% | 0.301 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | F729 D730 F736 N737 | F729-S733 WeakPolarHBondContact O-CB 3.3Å; F729-S733 PolarHBondContact O-N 3.42Å; D730-S733 WeakPolarHBondContact O-CB 3.14Å; D730-S733 PolarHBondContact O-N 2.74Å; S733-F736 PolarHBondContact O-N 3.44Å; S733-N737 WeakPolarHBondContact O-CB 3.38Å; S733-N737 VanDerWaalsContact O-CG 3.26Å; S733-N737 PolarHBondContact O-N 3Å; S733-N737 PolarHBondContact O-ND2 2.98Å; S733-N737 VanDerWaalsContact O-ND2 3.13Å; S733-N737 PolarHBondContact OG-ND2 3.01Å |
| 734 | Q | 34.5 | Very low | 30.4 | Very low | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 176 | -71 | 177.4 | 9 | 0 | 0 | 112.1 | D730 L732 F736 N737 L738 | D730-Q734 WeakPolarHBondContact O-CG 3.5Å; D730-Q734 PolarHBondContact O-N 3.13Å; L732-Q734 VanDerWaalsContact C-N 3.3Å; L732-Q734 PolarHBondContact O-N 2.91Å; Q734-F736 VanDerWaalsContact C-N 3.26Å; Q734-F736 PolarHBondContact O-N 3.28Å; Q734-N737 PolarHBondContact O-N 3.42Å; Q734-L738 PolarHBondContact O-N 2.99Å |
| 735 | L | 34.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 107.9 Ų | 107.9 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.5 | -33.6 | 177.5 | -126.1 | 138 | 0 | 0 | 0 | 112.9 | E731 L732 | E731-L735 WeakPolarHBondContact O-CB 3.34Å; E731-L735 PolarHBondContact O-N 3.21Å; L732-L735 WeakPolarHBondContact O-CB 3.37Å; L732-L735 PolarHBondContact O-N 3.39Å |
| 736 | F | 34 | Very low | 30.2 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 39% | 0.386 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -97.2 | -11.3 | 179.6 | -69.9 | -62.4 | 0 | 0 | 0 | 114.9 | L732 S733 Q734 P866 | L732-F736 HydrophobicContact CD1-CE2 3.92Å; L732-F736 HydrophobicContact CD2-CD2 4.22Å; L732-F736 HydrophobicContact CD2-CE2 3.9Å; L732-F736 HydrophobicContact CG-CD2 3.84Å; L732-F736 HydrophobicContact CG-CE2 3.61Å; L732-F736 VanDerWaalsContact O-CD2 3.22Å; L732-F736 WeakPolarHBondContact O-CD2 3.04Å; L732-F736 PolarHBondContact O-N 2.71Å; L732-F736 VanDerWaalsContact O-N 3.08Å; S733-F736 PolarHBondContact O-N 3.44Å; Q734-F736 VanDerWaalsContact C-N 3.26Å; Q734-F736 PolarHBondContact O-N 3.28Å; F736-P866 HydrophobicContact CE1-CG 4.04Å |
| 737 | N | 34.8 | Very low | 30.2 | Very low | 76 Ų | 76 | 111.8 Ų | 111.8 | 41% | 0.406 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -97.7 | 1.1 | 177.5 | -77.5 | -33.7 | 0 | 0 | 0 | 114.2 | S733 Q734 K739 I755 | S733-N737 WeakPolarHBondContact O-CB 3.38Å; S733-N737 VanDerWaalsContact O-CG 3.26Å; S733-N737 PolarHBondContact O-N 3Å; S733-N737 PolarHBondContact O-ND2 2.98Å; S733-N737 VanDerWaalsContact O-ND2 3.13Å; S733-N737 PolarHBondContact OG-ND2 3.01Å; Q734-N737 PolarHBondContact O-N 3.42Å; N737-K739 PolarHBondContact O-N 2.92Å; N737-I755 WeakPolarHBondContact OD1-CD1 3.47Å |
| 738 | L | 28 | Very low | 30.1 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | trans | -57.9 | 96.5 | 171.7 | -87.3 | 158.6 | 0 | 0 | 0 | 110.2 | Q734 T740 | Q734-L738 PolarHBondContact O-N 2.99Å; L738-T740 PolarHBondContact O-N 2.9Å | ||
| 739 | K | 29.4 | Very low | 29.8 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | trans | -64 | 122.4 | 166.5 | -74.7 | -179 | 176.8 | 178.1 | 0 | 107.2 | N737 N741 | N737-K739 PolarHBondContact O-N 2.92Å; K739-N741 PolarHBondContact O-N 2.73Å | ||
| 740 | T | 25.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -60.8 | 107.8 | 164.7 | 49 | 0 | 0 | 0 | 0 | 107.4 | L738 T742 | L738-T740 PolarHBondContact O-N 2.9Å; T740-T742 PolarHBondContact O-N 2.86Å | ||
| 741 | N | 24.2 | Very low | 29.1 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 88% | 0.882 | 66% | 0.659 | S | S | * | * | trans | -66.6 | 81.1 | 174.9 | -77.3 | -20.8 | 0 | 0 | 0 | 109.3 | K739 | K739-N741 PolarHBondContact O-N 2.73Š| ||
| 742 | T | 24.3 | Very low | 29 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | trans | -106.3 | 111.8 | 161.1 | 47.2 | 0 | 0 | 0 | 0 | 107.2 | T740 D744 | T740-T742 PolarHBondContact O-N 2.86Å; T742-D744 VanDerWaalsContact C-N 3.32Å; T742-D744 PolarHBondContact O-N 3.44Å | ||
| 743 | S | 25 | Very low | 29 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -60.3 | 89.1 | 170.7 | 52.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 744 | D | 25.5 | Very low | 29 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -133.5 | 104 | 161.4 | -89.3 | -35.7 | 0 | 0 | 0 | 108.7 | T742 N746 | T742-D744 VanDerWaalsContact C-N 3.32Å; T742-D744 PolarHBondContact O-N 3.44Å; D744-N746 PolarHBondContact O-N 3.32Å | ||
| 745 | N | 24.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 85% | 0.845 | 67% | 0.666 | S | S | * | * | trans | -55.8 | 101.3 | 161 | -93.7 | -26.3 | 0 | 0 | 0 | 108.5 | ||||
| 746 | N | 26.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 67% | 0.667 | S | S | * | * | trans | 165.7 | 137 | 135 | -87.1 | -36.5 | 0 | 0 | 0 | 111.5 | D744 | D744-N746 PolarHBondContact O-N 3.32Š| ||
| 747 | N | 26.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | 68.4 | 103.9 | 160 | -73.7 | -23.9 | 0 | 0 | 0 | 119.4 | ||||
| 748 | N | 27.4 | Very low | 28.5 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | 42.7 | 126 | 125.5 | -69.6 | -21.2 | 0 | 0 | 0 | 120.3 | |||||
| 749 | N | 28.6 | Very low | 28.7 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 81% | 0.807 | 67% | 0.665 | S | S | * | * | trans | 88 | 22 | 145.5 | -76 | -12.8 | 0 | 0 | 0 | 122.2 | N751 | N749-N751 PolarHBondContact O-N 2.81Š| ||
| 750 | N | 28 | Very low | 28.7 | Very low | 163 Ų | 163 | 120.1 Ų | 120.1 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -100.8 | 63.9 | 172.4 | -70.6 | -19.3 | 0 | 0 | 0 | 113.5 | ||||
| 751 | N | 27.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | trans | -86.4 | 133.5 | 160.3 | -80.6 | -9.6 | 0 | 0 | 0 | 109.2 | N749 | N749-N751 PolarHBondContact O-N 2.81Š| ||
| 752 | S | 32.2 | Very low | 28.9 | Very low | 54 Ų | 54 | 116.5 Ų | 116.5 | 38% | 0.378 | 63% | 0.628 | S | S | . | * | trans | -54 | 136 | -168.3 | 72.9 | 0 | 0 | 0 | 0 | 113 | F754 I755 | S752-F754 PolarHBondContact O-N 2.79Å; S752-I755 PolarHBondContact O-N 3.36Å | ||
| 753 | S | 33.4 | Very low | 29 | Very low | 88 Ų | 88 | 117 Ų | 117 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.9 | -13.8 | -176.2 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | Y757 | S753-Y757 PolarHBondContact O-N 3.49Å; S753-Y757 VanDerWaalsContact O-N 3.13Å |
| 754 | F | 34.1 | Very low | 28.8 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 38% | 0.382 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -79.7 | -37.3 | -176.7 | -169.2 | -106.9 | 0 | 0 | 0 | 113 | S752 K756 Y757 L758 | S752-F754 PolarHBondContact O-N 2.79Å; F754-K756 VanDerWaalsContact C-N 3.32Å; F754-K756 PolarHBondContact O-N 3.4Å; F754-Y757 WeakPolarHBondContact O-CB 3.48Å; F754-Y757 PolarHBondContact O-N 3.37Å; F754-Y757 VanDerWaalsContact O-N 3.15Å; F754-L758 HydrophobicContact CD1-CD1 4.02Å; F754-L758 HydrophobicContact CE1-CD1 3.5Å; F754-L758 VanDerWaalsContact CE1-CD1 3.5Å; F754-L758 HydrophobicContact CE1-CG 4.28Å; F754-L758 HydrophobicContact CZ-CD1 4.04Å; F754-L758 HydrophobicContact CZ-CG 4.42Å; F754-L758 PolarHBondContact O-N 2.79Å |
| 755 | I | 34.4 | Very low | 28.6 | Very low | 72 Ų | 72 | 122 Ų | 122 | 37% | 0.369 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64 | -41 | 174 | -67 | 179.8 | 0 | 0 | 0 | 110.2 | N737 S752 Y757 L758 Q759 | N737-I755 WeakPolarHBondContact OD1-CD1 3.47Å; S752-I755 PolarHBondContact O-N 3.36Å; I755-Y757 VanDerWaalsContact C-N 3.32Å; I755-Y757 PolarHBondContact O-N 2.85Å; I755-L758 PolarHBondContact O-N 3.49Å; I755-Q759 HydrophobicContact CG2-CG 4.41Å; I755-Q759 WeakPolarHBondContact O-CB 3.34Å; I755-Q759 WeakPolarHBondContact O-CG 3.34Å; I755-Q759 PolarHBondContact O-N 2.77Å |
| 756 | K | 31.8 | Very low | 28.5 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.5 | -36 | 173.5 | -76.6 | -175 | 177.4 | 176.2 | 0 | 112.5 | F754 S760 | F754-K756 VanDerWaalsContact C-N 3.32Å; F754-K756 PolarHBondContact O-N 3.4Å; K756-S760 VanDerWaalsContact O-CB 3.31Å; K756-S760 WeakPolarHBondContact O-CB 3.47Å; K756-S760 PolarHBondContact O-N 3.47Å |
| 757 | Y | 34.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.9 | -46.9 | 175.9 | -178.2 | -105.1 | 0 | 0 | 0 | 111.9 | S753 F754 I755 Q759 S760 I761 | S753-Y757 PolarHBondContact O-N 3.49Å; S753-Y757 VanDerWaalsContact O-N 3.13Å; F754-Y757 WeakPolarHBondContact O-CB 3.48Å; F754-Y757 PolarHBondContact O-N 3.37Å; F754-Y757 VanDerWaalsContact O-N 3.15Å; I755-Y757 VanDerWaalsContact C-N 3.32Å; I755-Y757 PolarHBondContact O-N 2.85Å; Y757-Q759 VanDerWaalsContact C-N 3.34Å; Y757-Q759 PolarHBondContact O-N 3.39Å; Y757-S760 PolarHBondContact O-N 2.97Å; Y757-S760 VanDerWaalsContact O-N 3.14Å; Y757-S760 PolarHBondContact O-OG 3.49Å; Y757-I761 HydrophobicContact CD1-CD1 4.03Å; Y757-I761 HydrophobicContact CE1-CD1 3.5Å; Y757-I761 VanDerWaalsContact CE1-CD1 3.5Å; Y757-I761 HydrophobicContact CE2-CD1 4.15Å; Y757-I761 PolarHBondContact O-N 3.35Å |
| 758 | L | 28.1 | Very low | 28.1 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 175.5 | -86.6 | 166.6 | 0 | 0 | 0 | 111.8 | F754 I755 S760 I761 | F754-L758 HydrophobicContact CD1-CD1 4.02Å; F754-L758 HydrophobicContact CE1-CD1 3.5Å; F754-L758 VanDerWaalsContact CE1-CD1 3.5Å; F754-L758 HydrophobicContact CE1-CG 4.28Å; F754-L758 HydrophobicContact CZ-CD1 4.04Å; F754-L758 HydrophobicContact CZ-CG 4.42Å; F754-L758 PolarHBondContact O-N 2.79Å; I755-L758 PolarHBondContact O-N 3.49Å; L758-S760 VanDerWaalsContact C-N 3.32Å; L758-S760 PolarHBondContact O-N 3.38Å; L758-I761 PolarHBondContact O-N 2.82Å |
| 759 | Q | 31.1 | Very low | 27.7 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.5 | -30.8 | 174.4 | -74.3 | 177.4 | -21.4 | 0 | 0 | 112.8 | I755 Y757 I761 L762 | I755-Q759 HydrophobicContact CG2-CG 4.41Å; I755-Q759 WeakPolarHBondContact O-CB 3.34Å; I755-Q759 WeakPolarHBondContact O-CG 3.34Å; I755-Q759 PolarHBondContact O-N 2.77Å; Y757-Q759 VanDerWaalsContact C-N 3.34Å; Y757-Q759 PolarHBondContact O-N 3.39Å; Q759-I761 VanDerWaalsContact C-N 3.26Å; Q759-I761 PolarHBondContact O-N 3.31Å; Q759-L762 PolarHBondContact O-N 3.02Å |
| 760 | S | 30 | Very low | 27.3 | Very low | 68 Ų | 68 | 125 Ų | 125 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -72.3 | -16.7 | 177.5 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | K756 Y757 L758 | K756-S760 VanDerWaalsContact O-CB 3.31Å; K756-S760 WeakPolarHBondContact O-CB 3.47Å; K756-S760 PolarHBondContact O-N 3.47Å; Y757-S760 PolarHBondContact O-N 2.97Å; Y757-S760 VanDerWaalsContact O-N 3.14Å; Y757-S760 PolarHBondContact O-OG 3.49Å; L758-S760 VanDerWaalsContact C-N 3.32Å; L758-S760 PolarHBondContact O-N 3.38Å |
| 761 | I | 28.1 | Very low | 27 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 49% | 0.492 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -91.5 | -13.5 | 178.5 | -63.5 | 169.8 | 0 | 0 | 0 | 111.1 | Y757 L758 Q759 | Y757-I761 HydrophobicContact CD1-CD1 4.03Å; Y757-I761 HydrophobicContact CE1-CD1 3.5Å; Y757-I761 VanDerWaalsContact CE1-CD1 3.5Å; Y757-I761 HydrophobicContact CE2-CD1 4.15Å; Y757-I761 PolarHBondContact O-N 3.35Å; L758-I761 PolarHBondContact O-N 2.82Å; Q759-I761 VanDerWaalsContact C-N 3.26Å; Q759-I761 PolarHBondContact O-N 3.31Å |
| 762 | L | 25.8 | Very low | 26.7 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -80.6 | 130.6 | 168.8 | -78.2 | 157.1 | 0 | 0 | 0 | 109.5 | Q759 H764 | Q759-L762 PolarHBondContact O-N 3.02Å; L762-H764 PolarHBondContact O-N 2.63Å |
| 763 | P | 25.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.2 | -171.4 | 22.2 | -30.1 | 0 | 0 | 0 | 111.9 | Q765 | P763-Q765 PolarHBondContact O-N 3.44Š|
| 764 | H | 21.8 | Very low | 25.6 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.796 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 123 | 178.6 | -70.9 | -78.3 | 0 | 0 | 0 | 114.1 | L762 | L762-H764 PolarHBondContact O-N 2.63Š|
| 765 | Q | 21.6 | Very low | 24.9 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | trans | -109.6 | 107.4 | 144.7 | -82.9 | -170.9 | -6 | 0 | 0 | 108.1 | P763 | P763-Q765 PolarHBondContact O-N 3.44Š| ||
| 766 | S | 21.3 | Very low | 24.3 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | -75.8 | 126.7 | 167.3 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 767 | N | 22.2 | Very low | 23.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | -156.4 | 149.3 | 145.2 | -98.5 | -24 | 0 | 0 | 0 | 112.1 | ||||
| 768 | H | 21.6 | Very low | 23.1 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -64.6 | 150.8 | -155.3 | -98.2 | -99.7 | 0 | 0 | 0 | 116.5 | ||||
| 769 | M | 20 | Very low | 22.7 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -50.2 | 137.1 | 163.4 | -66.1 | -156.8 | -172.7 | 0 | 0 | 112.3 | ||||
| 770 | N | 20.9 | Very low | 22.3 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | -141.1 | 120.5 | 141.9 | -98 | -22.7 | 0 | 0 | 0 | 108.9 | ||||
| 771 | A | 20 | Very low | 21.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -103.8 | 109.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 772 | H | 21.9 | Very low | 21.7 | Very low | 178 Ų | 178 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -165.8 | 102.9 | 161.8 | -89 | -56.8 | 0 | 0 | 0 | 105.1 | ||||
| 773 | S | 20.5 | Very low | 21.6 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 102.7 | 139.5 | 82 | 65 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 774 | T | 21.5 | Very low | 21.5 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 97.2 | 156.4 | 54.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 775 | S | 20.6 | Very low | 21.6 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 19.8 | 118.1 | 119.8 | 60.1 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 776 | N | 21.3 | Very low | 21.7 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | -177.7 | 126.8 | 126.6 | -93.3 | -18.7 | 0 | 0 | 0 | 111.2 | |||||
| 777 | N | 20 | Very low | 21.8 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 62.5 | 136.3 | 133.9 | -67.3 | -15.9 | 0 | 0 | 0 | 122.3 | ||||
| 778 | T | 20.4 | Very low | 21.9 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 78.5 | 97.3 | 142.7 | 48.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 779 | S | 20.2 | Very low | 22.1 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 23.4 | 104.3 | 123.2 | 59.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 780 | I | 22.1 | Very low | 22.4 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -133.1 | 119.6 | 153.3 | -66.3 | -179.4 | 0 | 0 | 0 | 108 | ||||
| 781 | N | 21.1 | Very low | 22.8 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -54 | 127.4 | 165.8 | -90.2 | -25.4 | 0 | 0 | 0 | 110.8 | ||||
| 782 | N | 24.9 | Very low | 23.3 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -134.2 | 95.5 | 153.1 | -99.1 | -11.4 | 0 | 0 | 0 | 108.5 | ||||
| 783 | N | 23.2 | Very low | 23.8 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | -69.9 | 156 | 156.1 | -78 | -23.8 | 0 | 0 | 0 | 109.3 | ||||
| 784 | N | 24.4 | Very low | 24.5 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | 89.5 | 78 | 170.2 | -57.4 | -14.8 | 0 | 0 | 0 | 116.9 | ||||
| 785 | S | 24 | Very low | 25 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -133.5 | 98.3 | 136.5 | 48.8 | 0 | 0 | 0 | 0 | 108.5 | N787 | S785-N787 PolarHBondContact O-N 3.05Š| ||
| 786 | N | 23.1 | Very low | 25.7 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -61.6 | 103.2 | 166.3 | -79.1 | -19.9 | 0 | 0 | 0 | 107.4 | N788 | N786-N788 VanDerWaalsContact C-N 3.34Å; N786-N788 PolarHBondContact O-N 2.96Å | ||
| 787 | N | 24.7 | Very low | 26.5 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -67.7 | 97.7 | 168 | -89.5 | -13.7 | 0 | 0 | 0 | 108 | S785 N789 | S785-N787 PolarHBondContact O-N 3.05Å; N787-N789 PolarHBondContact O-N 3.24Å | ||
| 788 | N | 24.2 | Very low | 27.2 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | trans | -64.3 | 94.5 | 171.5 | -68.4 | -23.4 | 0 | 0 | 0 | 108.5 | N786 V790 | N786-N788 VanDerWaalsContact C-N 3.34Å; N786-N788 PolarHBondContact O-N 2.96Å; N788-V790 PolarHBondContact O-N 3.15Å | ||
| 789 | N | 24.6 | Very low | 28.1 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | trans | -66 | 103.4 | 172 | -77.8 | -18.3 | 0 | 0 | 0 | 108.9 | N787 T791 | N787-N789 PolarHBondContact O-N 3.24Å; N789-T791 PolarHBondContact O-N 3.19Å | ||
| 790 | V | 27.9 | Very low | 29 | Very low | 86 Ų | 86 | 112.5 Ų | 112.5 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | trans | -62.7 | 124.1 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | N788 E794 L798 | N788-V790 PolarHBondContact O-N 3.15Å; V790-E794 VanDerWaalsContact CA-OE2 3.29Å; V790-E794 WeakPolarHBondContact CA-OE2 3.47Å; V790-E794 HydrophobicContact CG1-CB 3.54Å; V790-L798 HydrophobicContact CG1-CD1 4.43Å | ||
| 791 | T | 28.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 44% | 0.436 | 59% | 0.594 | S | S | . | * | trans | -72.9 | 158.5 | -177 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | N789 D793 E794 T795 | N789-T791 PolarHBondContact O-N 3.19Å; T791-D793 PolarHBondContact O-N 3.24Å; T791-E794 PolarHBondContact N-OE2 3.14Å; T791-E794 PolarHBondContact O-N 2.7Å; T791-E794 VanDerWaalsContact O-N 3.15Å; T791-E794 WeakPolarHBondContact OG1-CG 3.39Å; T791-E794 PolarHBondContact OG1-N 2.7Å; T791-E794 PolarHBondContact OG1-OE2 3.34Å; T791-T795 PolarHBondContact O-N 3.22Å; T791-T795 PolarHBondContact O-OG1 3.06Å; T791-T795 VanDerWaalsContact O-OG1 3.11Å | ||
| 792 | A | 30.4 | Very low | 30.3 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -55 | -36.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T795 I796 | A792-T795 PolarHBondContact O-N 3.12Å; A792-I796 WeakPolarHBondContact O-CG1 3.46Å; A792-I796 PolarHBondContact O-N 2.66Å |
| 793 | D | 33.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 98.2 Ų | 98.2 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -45.6 | 176.1 | -69.1 | -45.8 | 0 | 0 | 0 | 111.9 | T791 T795 I796 H797 | T791-D793 PolarHBondContact O-N 3.24Å; D793-T795 VanDerWaalsContact C-N 3.26Å; D793-T795 PolarHBondContact O-N 2.86Å; D793-I796 PolarHBondContact O-N 2.66Å; D793-H797 VanDerWaalsContact O-CB 3.3Å; D793-H797 WeakPolarHBondContact O-CB 3.29Å; D793-H797 PolarHBondContact O-N 3.16Å |
| 794 | E | 33.2 | Very low | 31.5 | Very low | 96 Ų | 96 | 94.7 Ų | 94.7 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -35.6 | 173.7 | -77.4 | 169.6 | 144.8 | 0 | 0 | 111.9 | V790 T791 H797 L798 | V790-E794 VanDerWaalsContact CA-OE2 3.29Å; V790-E794 WeakPolarHBondContact CA-OE2 3.47Å; V790-E794 HydrophobicContact CG1-CB 3.54Å; T791-E794 PolarHBondContact N-OE2 3.14Å; T791-E794 PolarHBondContact O-N 2.7Å; T791-E794 VanDerWaalsContact O-N 3.15Å; T791-E794 WeakPolarHBondContact OG1-CG 3.39Å; T791-E794 PolarHBondContact OG1-N 2.7Å; T791-E794 PolarHBondContact OG1-OE2 3.34Å; E794-H797 PolarHBondContact O-N 3.46Å; E794-L798 VanDerWaalsContact O-CB 3.3Å; E794-L798 WeakPolarHBondContact O-CB 3.32Å; E794-L798 WeakPolarHBondContact O-CG 3.34Å; E794-L798 PolarHBondContact O-N 3.46Å |
| 795 | T | 32.6 | Very low | 32 | Very low | 43 Ų | 43 | 92.2 Ų | 92.2 | 26% | 0.264 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 112 | L726 T791 A792 D793 H797 L798 F799 | L726-T795 HydrophobicContact CD2-CG2 3.77Å; T791-T795 PolarHBondContact O-N 3.22Å; T791-T795 PolarHBondContact O-OG1 3.06Å; T791-T795 VanDerWaalsContact O-OG1 3.11Å; A792-T795 PolarHBondContact O-N 3.12Å; D793-T795 VanDerWaalsContact C-N 3.26Å; D793-T795 PolarHBondContact O-N 2.86Å; T795-H797 VanDerWaalsContact C-N 3.28Å; T795-H797 PolarHBondContact O-N 2.81Å; T795-L798 PolarHBondContact O-N 2.88Å; T795-F799 WeakPolarHBondContact O-CB 3.4Å; T795-F799 PolarHBondContact O-N 2.99Å |
| 796 | I | 35.2 | Very low | 32.5 | Very low | 93 Ų | 93 | 88.3 Ų | 88.3 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 172.2 | -69.1 | 167.7 | 0 | 0 | 0 | 110.1 | A792 D793 F799 H800 | A792-I796 WeakPolarHBondContact O-CG1 3.46Å; A792-I796 PolarHBondContact O-N 2.66Å; D793-I796 PolarHBondContact O-N 2.66Å; I796-F799 WeakPolarHBondContact O-CB 3.33Å; I796-F799 PolarHBondContact O-N 3.24Å; I796-H800 WeakPolarHBondContact O-CB 3.34Å; I796-H800 PolarHBondContact O-N 3.23Å |
| 797 | H | 38.5 | Very low | 33 | Very low | 128 Ų | 128 | 84 Ų | 84 | 59% | 0.593 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | 177.4 | -139.1 | 34.2 | 0 | 0 | 0 | 111.4 | D793 E794 T795 F799 H800 L801 | D793-H797 VanDerWaalsContact O-CB 3.3Å; D793-H797 WeakPolarHBondContact O-CB 3.29Å; D793-H797 PolarHBondContact O-N 3.16Å; E794-H797 PolarHBondContact O-N 3.46Å; T795-H797 VanDerWaalsContact C-N 3.28Å; T795-H797 PolarHBondContact O-N 2.81Å; H797-F799 VanDerWaalsContact C-N 3.32Å; H797-F799 PolarHBondContact O-N 2.99Å; H797-H800 PolarHBondContact O-N 2.88Å; H797-L801 VanDerWaalsContact O-CB 3.25Å; H797-L801 WeakPolarHBondContact O-CB 3.33Å; H797-L801 WeakPolarHBondContact O-CD1 3.12Å; H797-L801 WeakPolarHBondContact O-CG 3.11Å; H797-L801 PolarHBondContact O-N 2.9Å |
| 798 | L | 35.6 | Very low | 33.3 | Very low | 81 Ų | 81 | 80.1 Ų | 80.1 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 172.8 | -75.7 | 166.1 | 0 | 0 | 0 | 111.7 | V790 E794 T795 L801 A802 | V790-L798 HydrophobicContact CG1-CD1 4.43Å; E794-L798 VanDerWaalsContact O-CB 3.3Å; E794-L798 WeakPolarHBondContact O-CB 3.32Å; E794-L798 WeakPolarHBondContact O-CG 3.34Å; E794-L798 PolarHBondContact O-N 3.46Å; T795-L798 PolarHBondContact O-N 2.88Å; L798-L801 PolarHBondContact O-N 3.07Å; L798-A802 VanDerWaalsContact O-CB 3.23Å; L798-A802 WeakPolarHBondContact O-CB 3.44Å; L798-A802 PolarHBondContact O-N 2.89Å |
| 799 | F | 38 | Very low | 33.5 | Very low | 61 Ų | 61 | 77.6 Ų | 77.6 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 175.1 | -169.7 | -88.4 | 0 | 0 | 0 | 112 | T795 I796 H797 L801 A802 W803 F839 | T795-F799 WeakPolarHBondContact O-CB 3.4Å; T795-F799 PolarHBondContact O-N 2.99Å; I796-F799 WeakPolarHBondContact O-CB 3.33Å; I796-F799 PolarHBondContact O-N 3.24Å; H797-F799 VanDerWaalsContact C-N 3.32Å; H797-F799 PolarHBondContact O-N 2.99Å; F799-L801 VanDerWaalsContact C-N 3.33Å; F799-A802 PolarHBondContact O-N 3.02Å; F799-W803 WeakPolarHBondContact O-CB 3.5Å; F799-W803 PolarHBondContact O-N 3.04Å; F799-F839 HydrophobicContact CE2-CE2 4.48Å |
| 800 | H | 38.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.407 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.6 | -101.3 | -70.8 | 0 | 0 | 0 | 111.4 | I796 H797 W803 L804 | I796-H800 WeakPolarHBondContact O-CB 3.34Å; I796-H800 PolarHBondContact O-N 3.23Å; H797-H800 PolarHBondContact O-N 2.88Å; H800-W803 PolarHBondContact O-N 3.35Å; H800-L804 WeakPolarHBondContact O-CB 3.22Å; H800-L804 WeakPolarHBondContact O-CD1 3.42Å; H800-L804 WeakPolarHBondContact O-CG 3.18Å; H800-L804 PolarHBondContact O-N 2.9Å |
| 801 | L | 36.5 | Very low | 33.4 | Very low | 84 Ų | 84 | 83.9 Ų | 83.9 | 44% | 0.44 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.5 | -88.1 | 157 | 0 | 0 | 0 | 111.2 | H797 L798 F799 W803 L804 I805 | H797-L801 VanDerWaalsContact O-CB 3.25Å; H797-L801 WeakPolarHBondContact O-CB 3.33Å; H797-L801 WeakPolarHBondContact O-CD1 3.12Å; H797-L801 WeakPolarHBondContact O-CG 3.11Å; H797-L801 PolarHBondContact O-N 2.9Å; L798-L801 PolarHBondContact O-N 3.07Å; F799-L801 VanDerWaalsContact C-N 3.33Å; L801-W803 VanDerWaalsContact C-N 3.33Å; L801-W803 PolarHBondContact O-N 3Å; L801-L804 CarbonylContact O-C 3.51Å; L801-L804 PolarHBondContact O-N 2.77Å; L801-I805 VanDerWaalsContact O-CB 3.31Å; L801-I805 WeakPolarHBondContact O-CB 3.48Å; L801-I805 WeakPolarHBondContact O-CD1 3.19Å; L801-I805 WeakPolarHBondContact O-CG1 3.36Å; L801-I805 PolarHBondContact O-N 2.95Å |
| 802 | A | 35 | Very low | 33.2 | Very low | 15 Ų | 15 | 86.3 Ų | 86.3 | 12% | 0.124 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F691 L798 F799 I805 L806 | F691-A802 HydrophobicContact CE1-CB 3.65Å; F691-A802 HydrophobicContact CE2-CB 4.24Å; F691-A802 HydrophobicContact CZ-CB 3.48Å; F691-A802 VanDerWaalsContact CZ-CB 3.48Å; L798-A802 VanDerWaalsContact O-CB 3.23Å; L798-A802 WeakPolarHBondContact O-CB 3.44Å; L798-A802 PolarHBondContact O-N 2.89Å; F799-A802 PolarHBondContact O-N 3.02Å; A802-I805 PolarHBondContact O-N 2.88Å; A802-L806 PolarHBondContact O-N 2.9Å |
| 803 | W | 38.2 | Very low | 32.7 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 24% | 0.235 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -72.8 | -38.8 | 177.2 | -165.9 | -93.9 | 0 | 0 | 0 | 112.8 | F799 H800 L801 I805 L806 T807 L914 V918 | F799-W803 WeakPolarHBondContact O-CB 3.5Å; F799-W803 PolarHBondContact O-N 3.04Å; H800-W803 PolarHBondContact O-N 3.35Å; L801-W803 VanDerWaalsContact C-N 3.33Å; L801-W803 PolarHBondContact O-N 3Å; W803-I805 VanDerWaalsContact C-N 3.32Å; W803-L806 HydrophobicContact CE3-CD1 4.28Å; W803-L806 WeakPolarHBondContact O-CB 3.45Å; W803-L806 PolarHBondContact O-N 3.45Å; W803-T807 WeakPolarHBondContact O-CB 3.24Å; W803-T807 WeakPolarHBondContact O-CG2 3.38Å; W803-T807 PolarHBondContact O-N 3.34Å; W803-T807 PolarHBondContact O-OG1 3.02Å; W803-L914 HydrophobicContact CH2-CD1 4.48Å; W803-L914 HydrophobicContact CH2-CD2 4.46Å; W803-L914 HydrophobicContact CZ2-CD2 4.39Å; W803-V918 VanDerWaalsContact NE1-CG2 3.26Å |
| 804 | L | 35.9 | Very low | 32.2 | Very low | 64 Ų | 64 | 89.3 Ų | 89.3 | 34% | 0.335 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 171.2 | -76.1 | 163.6 | 0 | 0 | 0 | 110.4 | H800 L801 L806 T807 N808 | H800-L804 WeakPolarHBondContact O-CB 3.22Å; H800-L804 WeakPolarHBondContact O-CD1 3.42Å; H800-L804 WeakPolarHBondContact O-CG 3.18Å; H800-L804 PolarHBondContact O-N 2.9Å; L801-L804 CarbonylContact O-C 3.51Å; L801-L804 PolarHBondContact O-N 2.77Å; L804-L806 VanDerWaalsContact C-N 3.32Å; L804-L806 PolarHBondContact O-N 2.81Å; L804-T807 PolarHBondContact O-N 3.48Å; L804-T807 VanDerWaalsContact O-N 3.13Å; L804-N808 VanDerWaalsContact CD2-ND2 3.3Å; L804-N808 WeakPolarHBondContact CD2-ND2 3.45Å; L804-N808 WeakPolarHBondContact O-CA 3.42Å; L804-N808 VanDerWaalsContact O-CB 3.22Å; L804-N808 WeakPolarHBondContact O-CB 3.4Å; L804-N808 PolarHBondContact O-N 3.48Å |
| 805 | I | 34.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 94.6 Ų | 94.6 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175 | -70.6 | 161.3 | 0 | 0 | 0 | 110.5 | L801 A802 W803 T807 | L801-I805 VanDerWaalsContact O-CB 3.31Å; L801-I805 WeakPolarHBondContact O-CB 3.48Å; L801-I805 WeakPolarHBondContact O-CD1 3.19Å; L801-I805 WeakPolarHBondContact O-CG1 3.36Å; L801-I805 PolarHBondContact O-N 2.95Å; A802-I805 PolarHBondContact O-N 2.88Å; W803-I805 VanDerWaalsContact C-N 3.32Å; I805-T807 VanDerWaalsContact C-N 3.31Å; I805-T807 PolarHBondContact O-N 2.78Å |
| 806 | L | 33.9 | Very low | 31 | Very low | 23 Ų | 23 | 98.9 Ų | 98.9 | 12% | 0.12 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.7 | -30.9 | 173.7 | -87.3 | 159.3 | 0 | 0 | 0 | 113.5 | A802 W803 L804 S837 Q876 | A802-L806 PolarHBondContact O-N 2.9Å; W803-L806 HydrophobicContact CE3-CD1 4.28Å; W803-L806 WeakPolarHBondContact O-CB 3.45Å; W803-L806 PolarHBondContact O-N 3.45Å; L804-L806 VanDerWaalsContact C-N 3.32Å; L804-L806 PolarHBondContact O-N 2.81Å; L806-S837 VanDerWaalsContact CD2-OG 3.23Å; L806-S837 WeakPolarHBondContact CD2-OG 3.44Å; L806-Q876 HydrophobicContact CD2-CB 4.3Å |
| 807 | T | 34.7 | Very low | 30.4 | Very low | 52 Ų | 52 | 99.1 Ų | 99.1 | 32% | 0.319 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -109.4 | -25.1 | -170 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | W803 L804 I805 | W803-T807 WeakPolarHBondContact O-CB 3.24Å; W803-T807 WeakPolarHBondContact O-CG2 3.38Å; W803-T807 PolarHBondContact O-N 3.34Å; W803-T807 PolarHBondContact O-OG1 3.02Å; L804-T807 PolarHBondContact O-N 3.48Å; L804-T807 VanDerWaalsContact O-N 3.13Å; I805-T807 VanDerWaalsContact C-N 3.31Å; I805-T807 PolarHBondContact O-N 2.78Å |
| 808 | N | 31.2 | Very low | 29.6 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 29% | 0.294 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -102.7 | 9.5 | -171.1 | -89.6 | -12.2 | 0 | 0 | 0 | 115.8 | L804 K810 | L804-N808 VanDerWaalsContact CD2-ND2 3.3Å; L804-N808 WeakPolarHBondContact CD2-ND2 3.45Å; L804-N808 WeakPolarHBondContact O-CA 3.42Å; L804-N808 VanDerWaalsContact O-CB 3.22Å; L804-N808 WeakPolarHBondContact O-CB 3.4Å; L804-N808 PolarHBondContact O-N 3.48Å; N808-K810 PolarHBondContact O-N 3.48Å |
| 809 | N | 27.8 | Very low | 29.1 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 17.5 | 167.8 | -89.7 | -8.2 | 0 | 0 | 0 | 114.4 | F811 | N809-F811 VanDerWaalsContact C-N 3.32Š|
| 810 | K | 26.7 | Very low | 28.4 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -4.4 | 169.5 | -80.5 | -170 | 173.5 | -176.9 | 0 | 115.1 | N808 | N808-K810 PolarHBondContact O-N 3.48Š|
| 811 | F | 23.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 112.2 Ų | 112.2 | 82% | 0.82 | 59% | 0.59 | S | S | * | * | trans | -114.8 | 65.4 | -176.2 | -79.4 | -82.6 | 0 | 0 | 0 | 113 | N809 | N809-F811 VanDerWaalsContact C-N 3.32Š| ||
| 812 | S | 22.5 | Very low | 27.1 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | trans | -154.1 | 63.6 | 157.4 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 813 | A | 21.5 | Very low | 26.6 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | trans | -137.2 | 124.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 814 | H | 21.7 | Very low | 25.9 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.806 | 66% | 0.658 | S | S | * | * | trans | 80.1 | 100 | 166.3 | -54 | -70 | 0 | 0 | 0 | 118.5 | ||||
| 815 | K | 21.2 | Very low | 25.3 | Very low | 207 Ų | 207 | 127 Ų | 127 | 90% | 0.9 | 68% | 0.679 | S | S | * | * | -166.1 | 95.7 | 106.4 | -102.6 | 173.6 | -177.3 | 178.5 | 0 | 110.5 | |||||
| 816 | T | 21.1 | Very low | 24.6 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -74.9 | 123.6 | 159.9 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 817 | S | 21.5 | Very low | 24 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -166.6 | 120.1 | 151.1 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 818 | H | 22.4 | Very low | 23.3 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 67.5 | 100.7 | 154.7 | -60 | -60.9 | 0 | 0 | 0 | 119.3 | ||||
| 819 | N | 24.7 | Very low | 22.9 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | -167.4 | 147.2 | 98.3 | -96 | -27.4 | 0 | 0 | 0 | 112.6 | |||||
| 820 | N | 22.7 | Very low | 22.6 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -44.4 | 137.7 | 179.4 | -59.8 | -49.4 | 0 | 0 | 0 | 113.5 | ||||
| 821 | I | 26.2 | Very low | 22.4 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | -170.8 | 138.3 | 121.3 | -89.2 | 147.7 | 0 | 0 | 0 | 108.8 | |||||
| 822 | S | 22.9 | Very low | 22.4 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -48 | 148.1 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 823 | N | 23 | Very low | 22.6 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 42.5 | 100.2 | 138.8 | -61.9 | -11.7 | 0 | 0 | 0 | 117.4 | ||||
| 824 | N | 24 | Very low | 23 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 168.4 | 134.8 | 121.3 | -87.3 | -28.3 | 0 | 0 | 0 | 110.9 | |||||
| 825 | I | 23.4 | Very low | 23.7 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 73.4 | 91 | 162.1 | -54.3 | 159.7 | 0 | 0 | 0 | 114.8 | C827 | I825-C827 HydrophobicContact CG2-CB 4.49Å; I825-C827 PolarHBondContact O-N 3.02Å; I825-C827 VanDerWaalsContact O-N 3.08Å | ||
| 826 | S | 19.8 | Very low | 24.8 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -56.3 | 95.3 | 150.9 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 827 | C | 20.8 | Very low | 26 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | trans | -134.9 | 98.9 | 151.4 | -101.4 | 0 | 0 | 0 | 0 | 106 | I825 R829 | I825-C827 HydrophobicContact CG2-CB 4.49Å; I825-C827 PolarHBondContact O-N 3.02Å; I825-C827 VanDerWaalsContact O-N 3.08Å; C827-R829 PolarHBondContact O-N 3.15Å | ||
| 828 | E | 20.9 | Very low | 27.4 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -47.6 | 109.3 | 171.2 | -70 | 172.1 | 151.7 | 0 | 0 | 108.7 | N830 | E828-N830 VanDerWaalsContact C-N 3.25Å; E828-N830 PolarHBondContact O-N 3.37Å | ||
| 829 | R | 21.5 | Very low | 28.9 | Very low | 220 Ų | 220 | 119.9 Ų | 119.9 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | trans | -68.9 | 93.5 | 168 | -76.6 | -175.7 | -158.9 | 173.9 | 6.1 | 106.9 | C827 Y831 | C827-R829 PolarHBondContact O-N 3.15Å; R829-Y831 VanDerWaalsContact C-N 3.27Å; R829-Y831 PolarHBondContact O-N 3.05Å | ||
| 830 | N | 22.2 | Very low | 30.5 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 71% | 0.711 | 60% | 0.595 | S | S | * | * | trans | -57.2 | 89.2 | 166 | -73.3 | -32.8 | 0 | 0 | 0 | 109.2 | E828 M832 | E828-N830 VanDerWaalsContact C-N 3.25Å; E828-N830 PolarHBondContact O-N 3.37Å; N830-M832 HydrophobicContact CB-CG 4.44Å; N830-M832 PolarHBondContact O-N 3.32Å | ||
| 831 | Y | 22.5 | Very low | 32.2 | Very low | 209 Ų | 209 | 107 Ų | 107 | 82% | 0.82 | 56% | 0.559 | S | S | * | * | trans | -68.4 | 82.8 | 152.6 | -82.7 | -84.8 | 0 | 0 | 0 | 106.2 | R829 P833 | R829-Y831 VanDerWaalsContact C-N 3.27Å; R829-Y831 PolarHBondContact O-N 3.05Å; Y831-P833 WeakPolarHBondContact O-CD 3.23Å | ||
| 832 | M | 23 | Very low | 33.7 | Very low | 130 Ų | 130 | 100 Ų | 100 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | trans | -69.2 | 116 | 169.4 | -87 | -160.4 | 74.3 | 0 | 0 | 107.6 | N830 C834 | N830-M832 HydrophobicContact CB-CG 4.44Å; N830-M832 PolarHBondContact O-N 3.32Å; M832-C834 PolarHBondContact O-N 3.45Å | ||
| 833 | P | 27.5 | Very low | 35.2 | Very low | 85 Ų | 85 | 95.6 Ų | 95.6 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | trans | -57.4 | 130.8 | 170.1 | 23.2 | -30.3 | 0 | 0 | 0 | 108.2 | Y831 P835 | Y831-P833 WeakPolarHBondContact O-CD 3.23Å; P833-P835 VanDerWaalsContact O-CD 3.23Å; P833-P835 WeakPolarHBondContact O-CD 3.23Å | ||
| 834 | C | 30.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 89.8 Ų | 89.8 | 73% | 0.73 | 46% | 0.462 | S | S | * | . | trans | -53.3 | 112 | -178.8 | -159 | 0 | 0 | 0 | 0 | 108.8 | M832 | M832-C834 PolarHBondContact O-N 3.45Š| ||
| 835 | P | 36.1 | Very low | 37.9 | Very low | 31 Ų | 31 | 82.6 Ų | 82.6 | 20% | 0.201 | 42% | 0.424 | C | S | . | . | trans | -96.7 | 137.1 | -157.6 | 36.1 | -33.3 | 0 | 0 | 0 | 111.4 | T686 P833 | T686-P835 VanDerWaalsContact CB-CG 3.46Å; T686-P835 HydrophobicContact CG2-CG 3.34Å; P833-P835 VanDerWaalsContact O-CD 3.23Å; P833-P835 WeakPolarHBondContact O-CD 3.23Å | ||
| 836 | L | 43.2 | Very low | 39 | Very low | 56 Ų | 56 | 78.6 Ų | 78.6 | 29% | 0.293 | 40% | 0.404 | S | S | . | . | trans | 64 | 85.3 | 169.4 | -60.7 | 121 | 0 | 0 | 0 | 115.4 | V688 Y875 Q876 | V688-L836 WeakPolarHBondContact CA-O 3.23Å; V688-L836 VanDerWaalsContact CG1-O 3.29Å; V688-L836 WeakPolarHBondContact CG1-O 3.39Å; V688-L836 HydrophobicContact CG2-CB 4.38Å; L836-Y875 HydrophobicContact CD2-CD2 4.45Å; L836-Q876 WeakPolarHBondContact CD2-O 3.15Å; L836-Q876 WeakPolarHBondContact CG-O 3.48Å | ||
| 837 | S | 46.8 | Very low | 40 | Very low | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | trans | -77.9 | 140.4 | 151.8 | 35.6 | 0 | 0 | 0 | 0 | 109.6 | T689 L806 | T689-S837 WeakPolarHBondContact O-CA 3.43Å; L806-S837 VanDerWaalsContact CD2-OG 3.23Å; L806-S837 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 838 | R | 51.9 | Low | 40.8 | Very low | 110 Ų | 110 | 70.1 Ų | 70.1 | 42% | 0.415 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.7 | 176.1 | -74.8 | -175.7 | -179.5 | 155.1 | 1.9 | 108.9 | V688 T689 N690 F691 F874 | V688-R838 HydrophobicContact CG1-CB 4.06Å; V688-R838 HydrophobicContact CG1-CG 3.64Å; T689-R838 PolarHBondContact O-N 2.87Å; N690-R838 CarbonylContact C-O 3.56Å; N690-R838 VanDerWaalsContact CA-O 3.29Å; N690-R838 WeakPolarHBondContact CA-O 3.35Å; N690-R838 VanDerWaalsContact OD1-CB 3.26Å; N690-R838 WeakPolarHBondContact OD1-CB 3.3Å; F691-R838 PolarHBondContact N-O 3.07Å; R838-F874 CarbonylContact C-O 3.58Å; R838-F874 WeakPolarHBondContact CA-O 3.37Å |
| 839 | F | 52 | Low | 41.3 | Very low | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.4 | -179.9 | -169.5 | -92.1 | 0 | 0 | 0 | 109.5 | F691 L693 F799 I841 T873 F874 | F691-F839 HydrophobicContact CB-CD2 3.48Å; F691-F839 VanDerWaalsContact CB-CD2 3.48Å; F691-F839 HydrophobicContact CB-CE2 3.99Å; F691-F839 HydrophobicContact CB-CG 4.39Å; F691-F839 HydrophobicContact CG-CD2 4.33Å; F691-F839 CarbonylContact O-C 3.6Å; F691-F839 WeakPolarHBondContact O-CA 3.26Å; L693-F839 HydrophobicContact CB-CE1 4.08Å; L693-F839 HydrophobicContact CB-CZ 3.84Å; L693-F839 HydrophobicContact CD2-CE1 4.13Å; L693-F839 HydrophobicContact CD2-CZ 4.06Å; F799-F839 HydrophobicContact CE2-CE2 4.48Å; F839-I841 HydrophobicContact CD1-CD1 4.4Å; F839-I841 HydrophobicContact CD1-CG1 3.88Å; F839-I841 HydrophobicContact CE1-CD1 3.9Å; F839-I841 HydrophobicContact CE1-CG1 3.51Å; F839-T873 CarbonylContact O-C 3.36Å; F839-T873 WeakPolarHBondContact O-CA 3.43Å; F839-F874 HydrophobicContact CB-CB 4.25Å; F839-F874 HydrophobicContact CD1-CD2 4.08Å; F839-F874 PolarHBondContact N-O 2.84Å; F839-F874 PolarHBondContact O-N 3.41Å |
| 840 | H | 59 | Low | 41.7 | Very low | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.5 | -177.9 | -63.2 | -76.7 | 0 | 0 | 0 | 110.4 | F691 Y692 L693 I842 Q871 Y872 T873 | F691-H840 PolarHBondContact O-N 3.36Å; Y692-H840 CarbonylContact C-O 3.51Å; Y692-H840 WeakPolarHBondContact CA-O 3.29Å; Y692-H840 HydrophobicContact CD1-CB 3.61Å; Y692-H840 AromaticContact CD1-CD2 3.88Å; Y692-H840 HydrophobicContact CE1-CB 3.91Å; Y692-H840 AromaticContact CE1-CD2 3.38Å; Y692-H840 WeakPolarHBondContact CE1-CD2 3.17Å; Y692-H840 AromaticContact CE1-CG 3.78Å; Y692-H840 HydrophobicContact CG-CB 4.4Å; Y692-H840 AromaticContact CZ-CD2 3.69Å; L693-H840 PolarHBondContact N-O 3.22Å; H840-I842 HydrophobicContact CB-CG1 4.49Å; H840-Q871 PolarHBondContact ND1-NE2 3.4Å; H840-Y872 CarbonylContact C-O 3.56Å; H840-Y872 VanDerWaalsContact CA-O 3.27Å; H840-Y872 WeakPolarHBondContact CA-O 3.41Å; H840-T873 WeakPolarHBondContact CE1-CG2 2.93Å; H840-T873 PolarHBondContact CE1-OG1 3.4Å; H840-T873 VanDerWaalsContact ND1-CG2 3.34Å; H840-T873 WeakPolarHBondContact ND1-CG2 3.41Å; H840-T873 PolarHBondContact ND1-OG1 3.34Å |
| 841 | I | 58.7 | Low | 42 | Very low | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.6 | 169.2 | -50.7 | -176.6 | 0 | 0 | 0 | 108.5 | L693 I695 F839 F843 Q871 Y872 F874 | L693-I841 HydrophobicContact CB-CG1 4.25Å; L693-I841 HydrophobicContact CD2-CD1 4.1Å; L693-I841 HydrophobicContact CD2-CG1 4Å; L693-I841 HydrophobicContact CD2-CG2 4.13Å; L693-I841 HydrophobicContact CG-CG2 4.26Å; L693-I841 CarbonylContact O-C 3.57Å; L693-I841 VanDerWaalsContact O-CA 3.29Å; L693-I841 WeakPolarHBondContact O-CA 3.14Å; I695-I841 HydrophobicContact CD1-CG2 3.77Å; I695-I841 HydrophobicContact CG1-CG2 4.5Å; F839-I841 HydrophobicContact CD1-CD1 4.4Å; F839-I841 HydrophobicContact CD1-CG1 3.88Å; F839-I841 HydrophobicContact CE1-CD1 3.9Å; F839-I841 HydrophobicContact CE1-CG1 3.51Å; I841-F843 HydrophobicContact CG2-CD2 4.4Å; I841-F843 HydrophobicContact CG2-CE2 3.79Å; I841-F843 HydrophobicContact CG2-CZ 4.2Å; I841-Q871 CarbonylContact O-C 3.59Å; I841-Q871 VanDerWaalsContact O-CA 3.31Å; I841-Q871 WeakPolarHBondContact O-CA 2.86Å; I841-Y872 PolarHBondContact N-O 3.26Å; I841-Y872 PolarHBondContact O-N 2.94Å; I841-F874 HydrophobicContact CD1-CD2 4.45Å; I841-F874 HydrophobicContact CD1-CE2 3.61Å; I841-F874 HydrophobicContact CD1-CZ 4.3Å; I841-F874 HydrophobicContact CG1-CD2 4.41Å; I841-F874 HydrophobicContact CG1-CE2 3.87Å |
| 842 | I | 57.1 | Low | 42.2 | Very low | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.3 | -176.2 | -54.9 | 177.3 | 0 | 0 | 0 | 109 | Y692 L693 I694 I695 H840 V844 I868 Q871 | Y692-I842 HydrophobicContact CD1-CD1 3.9Å; Y692-I842 HydrophobicContact CE1-CD1 4.44Å; L693-I842 PolarHBondContact O-N 3.19Å; I694-I842 CarbonylContact C-O 3.54Å; I694-I842 VanDerWaalsContact CA-O 3.32Å; I694-I842 WeakPolarHBondContact CA-O 3.29Å; I694-I842 HydrophobicContact CG1-CB 4.41Å; I695-I842 PolarHBondContact N-O 2.79Å; H840-I842 HydrophobicContact CB-CG1 4.49Å; I842-V844 HydrophobicContact CG2-CG2 3.93Å; I842-I868 HydrophobicContact CG2-CB 4.48Å; I842-I868 HydrophobicContact CG2-CD1 4.33Å; I842-I868 HydrophobicContact CG2-CG1 4.1Å; I842-I868 HydrophobicContact CG2-CG2 3.66Å; I842-Q871 HydrophobicContact CG1-CB 4.36Å; I842-Q871 HydrophobicContact CG1-CG 3.96Å |
| 843 | F | 56.1 | Low | 42.4 | Very low | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.9 | 172 | -67.7 | -91.3 | 0 | 0 | 0 | 109.5 | I695 I697 I841 I868 L869 K870 Y872 I903 C906 L907 | I695-F843 HydrophobicContact CB-CD1 3.82Å; I695-F843 HydrophobicContact CB-CE1 3.98Å; I695-F843 HydrophobicContact CD1-CD1 4.23Å; I695-F843 HydrophobicContact CD1-CE1 3.54Å; I695-F843 HydrophobicContact CD1-CE2 4.41Å; I695-F843 HydrophobicContact CD1-CZ 3.65Å; I695-F843 HydrophobicContact CG1-CE1 4.36Å; I695-F843 HydrophobicContact CG2-CD1 3.73Å; I695-F843 HydrophobicContact CG2-CE1 3.79Å; I695-F843 CarbonylContact O-C 3.5Å; I695-F843 WeakPolarHBondContact O-CA 3.04Å; I697-F843 HydrophobicContact CD1-CB 4.39Å; I697-F843 HydrophobicContact CD1-CD1 3.88Å; I697-F843 HydrophobicContact CG1-CD1 4.5Å; I841-F843 HydrophobicContact CG2-CD2 4.4Å; I841-F843 HydrophobicContact CG2-CE2 3.79Å; I841-F843 HydrophobicContact CG2-CZ 4.2Å; F843-I868 CarbonylContact O-C 3.49Å; F843-I868 WeakPolarHBondContact O-CA 3.36Å; F843-L869 HydrophobicContact CB-CB 4.26Å; F843-L869 PolarHBondContact O-N 3.06Å; F843-K870 HydrophobicContact CD2-CB 4.44Å; F843-K870 PolarHBondContact N-O 3.28Å; F843-K870 PolarHBondContact O-N 3.47Å; F843-Y872 HydrophobicContact CD2-CD2 4.16Å; F843-Y872 HydrophobicContact CD2-CE2 4.04Å; F843-Y872 AromaticContact CE2-CD2 3.83Å; F843-Y872 HydrophobicContact CE2-CD2 3.83Å; F843-Y872 AromaticContact CE2-CE2 3.73Å; F843-Y872 HydrophobicContact CE2-CE2 3.73Å; F843-I903 HydrophobicContact CB-CD1 4.46Å; F843-I903 HydrophobicContact CB-CG1 4.35Å; F843-I903 HydrophobicContact CD1-CG1 4.14Å; F843-I903 HydrophobicContact CD1-CG2 4.4Å; F843-I903 HydrophobicContact CD2-CG2 3.91Å; F843-I903 HydrophobicContact CE1-CG2 4.3Å; F843-I903 HydrophobicContact CE2-CG2 3.81Å; F843-I903 HydrophobicContact CG-CG1 4.12Å; F843-I903 HydrophobicContact CG-CG2 4.2Å; F843-I903 HydrophobicContact CZ-CG2 4.01Å; F843-C906 HydrophobicContact CE1-CB 3.83Å; F843-C906 HydrophobicContact CZ-CB 4.44Å; F843-L907 HydrophobicContact CE2-CD1 3.87Å; F843-L907 HydrophobicContact CE2-CG 4.29Å; F843-L907 HydrophobicContact CZ-CD1 4.08Å; F843-L907 HydrophobicContact CZ-CG 4.1Å |
| 844 | V | 53 | Low | 42.2 | Very low | 21 Ų | 21 | 58.7 Ų | 58.7 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.3 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | I694 I695 I696 I697 I842 P866 V867 I868 | I694-V844 HydrophobicContact CG2-CG2 3.69Å; I695-V844 PolarHBondContact O-N 2.66Å; I696-V844 CarbonylContact C-O 3.57Å; I696-V844 WeakPolarHBondContact CA-O 3.08Å; I697-V844 PolarHBondContact N-O 3.11Å; I842-V844 HydrophobicContact CG2-CG2 3.93Å; V844-P866 HydrophobicContact CG1-CB 3.77Å; V844-V867 CarbonylContact C-O 3.56Å; V844-V867 WeakPolarHBondContact CA-O 3.19Å; V844-I868 HydrophobicContact CG2-CG1 4.18Å |
| 845 | A | 50.1 | Low | 41.9 | Very low | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I697 C702 P866 V867 L869 | I697-A845 HydrophobicContact CB-CB 4.32Å; I697-A845 WeakPolarHBondContact O-CA 3.08Å; C702-A845 WeakPolarHBondContact SG-CB 3.33Å; A845-P866 CarbonylContact O-C 3.55Å; A845-P866 WeakPolarHBondContact O-CA 3.11Å; A845-V867 PolarHBondContact N-O 3Å; A845-V867 PolarHBondContact O-N 3.44Å; A845-L869 HydrophobicContact CB-CD1 3.44Å; A845-L869 VanDerWaalsContact CB-CD1 3.44Å; A845-L869 HydrophobicContact CB-CD2 4.05Å; A845-L869 HydrophobicContact CB-CG 3.73Å |
| 846 | N | 46 | Very low | 41.4 | Very low | 65 Ų | 65 | 69.2 Ų | 69.2 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106 | 174.1 | -147.4 | 10.7 | 0 | 0 | 0 | 108.6 | S699 Y864 K865 | S699-N846 WeakPolarHBondContact CA-O 3.49Å; S699-N846 WeakPolarHBondContact CB-O 3.48Å; N846-Y864 WeakPolarHBondContact OD1-CB 3.28Å; N846-K865 PolarHBondContact OD1-O 3.32Å |
| 847 | C | 40.2 | Very low | 40.4 | Very low | 15 Ų | 15 | 74.7 Ų | 74.7 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137 | -175.6 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | K865 V867 | C847-K865 PolarHBondContact N-O 3.32Å; C847-K865 PolarHBondContact O-N 3.18Å; C847-V867 HydrophobicContact CB-CG2 3.98Å |
| 848 | S | 37.7 | Very low | 39.4 | Very low | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.2 | 168.7 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 849 | M | 31 | Very low | 38.1 | Very low | 131 Ų | 131 | 82.5 Ų | 82.5 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 135.9 | 175.1 | -68.6 | -82.3 | 81.8 | 0 | 0 | 111 | ||
| 850 | S | 31.4 | Very low | 36.9 | Very low | 88 Ų | 88 | 86.7 Ų | 86.7 | 62% | 0.615 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 145.4 | -176.2 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | S852 | S850-S852 VanDerWaalsContact C-N 3.27Å; S850-S852 PolarHBondContact O-N 3.3Å |
| 851 | P | 27.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 92.8 Ų | 92.8 | 81% | 0.805 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -80.4 | 16.6 | -162.3 | -8.4 | 26.7 | 0 | 0 | 0 | 116.1 | S853 | P851-S853 PolarHBondContact O-N 3Š|
| 852 | S | 27.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 99 Ų | 99 | 80% | 0.804 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -69.8 | 3.3 | -171 | 41.9 | 0 | 0 | 0 | 0 | 115.3 | S850 | S850-S852 VanDerWaalsContact C-N 3.27Å; S850-S852 PolarHBondContact O-N 3.3Å |
| 853 | S | 25.9 | Very low | 33 | Very low | 98 Ų | 98 | 104.3 Ų | 104.3 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -141.6 | 85.9 | 170 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | P851 | P851-S853 PolarHBondContact O-N 3Š|
| 854 | L | 23.9 | Very low | 32.2 | Very low | 156 Ų | 156 | 109.3 Ų | 109.3 | 82% | 0.817 | 60% | 0.599 | S | S | * | * | trans | 173.5 | 94.4 | 145.2 | -89.7 | 156.6 | 0 | 0 | 0 | 108.2 | F856 | L854-F856 PolarHBondContact O-N 2.9Å; L854-F856 VanDerWaalsContact O-N 3.08Å | ||
| 855 | L | 23.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 114.4 Ų | 114.4 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -78.5 | 52.4 | 172 | -117.8 | 159 | 0 | 0 | 0 | 109.5 | ||||
| 856 | F | 26 | Very low | 31 | Very low | 192 Ų | 192 | 117.4 Ų | 117.4 | 84% | 0.842 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -148.2 | 125.4 | 173.2 | -80.1 | -72.3 | 0 | 0 | 0 | 112.2 | L854 S858 | L854-F856 PolarHBondContact O-N 2.9Å; L854-F856 VanDerWaalsContact O-N 3.08Å; F856-S858 PolarHBondContact O-N 3.05Å |
| 857 | N | 22.7 | Very low | 31.1 | Very low | 171 Ų | 171 | 115.5 Ų | 115.5 | 91% | 0.914 | 63% | 0.629 | S | S | * | * | trans | -52 | 110 | 172.5 | -72.7 | -26 | 0 | 0 | 0 | 112.2 | ||||
| 858 | S | 25 | Very low | 31.5 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | trans | -168 | 132.1 | 139.3 | 65.2 | 0 | 0 | 0 | 0 | 109.2 | F856 T860 | F856-S858 PolarHBondContact O-N 3.05Å; S858-T860 PolarHBondContact O-N 3.37Å; S858-T860 PolarHBondContact OG-OG1 2.98Å | ||
| 859 | E | 24.7 | Very low | 32.3 | Very low | 210 Ų | 210 | 116.1 Ų | 116.1 | 98% | 0.981 | 63% | 0.628 | S | S | * | * | trans | -72.9 | 39.1 | -174.5 | -66.9 | 177.2 | 141.1 | 0 | 0 | 113.6 | ||||
| 860 | T | 28.1 | Very low | 33.4 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 63% | 0.632 | 60% | 0.603 | S | S | * | * | trans | -107.4 | 122.6 | -170.8 | 57 | 0 | 0 | 0 | 0 | 112.1 | S858 | S858-T860 PolarHBondContact O-N 3.37Å; S858-T860 PolarHBondContact OG-OG1 2.98Å | ||
| 861 | N | 28.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 109 Ų | 109 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | trans | 51.7 | 82 | 163.5 | -69.8 | -25.1 | 0 | 0 | 0 | 117.1 | N863 | N861-N863 PolarHBondContact O-N 3.4Š| ||
| 862 | Q | 31.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | trans | -63.5 | 102.7 | 157.3 | -72.9 | -168.6 | -1.2 | 0 | 0 | 109.1 | Y864 | Q862-Y864 HydrophobicContact CB-CE2 4.15Å; Q862-Y864 WeakPolarHBondContact O-CD2 3.48Å; Q862-Y864 PolarHBondContact O-N 3.45Å | ||
| 863 | N | 32.8 | Very low | 37.5 | Very low | 130 Ų | 130 | 98.8 Ų | 98.8 | 70% | 0.695 | 51% | 0.512 | S | S | * | . | trans | -64 | 99.2 | 174.5 | -81.6 | -32.8 | 0 | 0 | 0 | 109.9 | N861 | N861-N863 PolarHBondContact O-N 3.4Š| ||
| 864 | Y | 38.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 96.2 Ų | 96.2 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.7 | 169.5 | -68.9 | -87.2 | 0 | 0 | 0 | 109.6 | N846 Q862 | N846-Y864 WeakPolarHBondContact OD1-CB 3.28Å; Q862-Y864 HydrophobicContact CB-CE2 4.15Å; Q862-Y864 WeakPolarHBondContact O-CD2 3.48Å; Q862-Y864 PolarHBondContact O-N 3.45Å |
| 865 | K | 38.5 | Very low | 40.4 | Very low | 129 Ų | 129 | 91.9 Ų | 91.9 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.8 | 168.7 | -86.6 | -176.1 | 176.2 | 177.8 | 0 | 109.6 | N846 C847 V867 | N846-K865 PolarHBondContact OD1-O 3.32Å; C847-K865 PolarHBondContact N-O 3.32Å; C847-K865 PolarHBondContact O-N 3.18Å; K865-V867 PolarHBondContact O-N 3.37Å |
| 866 | P | 40.2 | Very low | 41.5 | Very low | 63 Ų | 63 | 85.3 Ų | 85.3 | 41% | 0.409 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 125 | 169.8 | 26.4 | -32.8 | 0 | 0 | 0 | 109.6 | F736 V844 A845 | F736-P866 HydrophobicContact CE1-CG 4.04Å; V844-P866 HydrophobicContact CG1-CB 3.77Å; A845-P866 CarbonylContact O-C 3.55Å; A845-P866 WeakPolarHBondContact O-CA 3.11Å |
| 867 | V | 48.3 | Very low | 42.6 | Very low | 25 Ų | 25 | 78.1 Ų | 78.1 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.9 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | V844 A845 C847 K865 L869 N891 | V844-V867 CarbonylContact C-O 3.56Å; V844-V867 WeakPolarHBondContact CA-O 3.19Å; A845-V867 PolarHBondContact N-O 3Å; A845-V867 PolarHBondContact O-N 3.44Å; C847-V867 HydrophobicContact CB-CG2 3.98Å; K865-V867 PolarHBondContact O-N 3.37Å; V867-L869 PolarHBondContact O-N 3.11Å; V867-N891 HydrophobicContact CG1-CB 4.43Å |
| 868 | I | 48.6 | Very low | 43.6 | Very low | 36 Ų | 36 | 74.9 Ų | 74.9 | 19% | 0.185 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 112.9 | 169.6 | -62.5 | 169.3 | 0 | 0 | 0 | 107.7 | I842 F843 V844 I890 | I842-I868 HydrophobicContact CG2-CB 4.48Å; I842-I868 HydrophobicContact CG2-CD1 4.33Å; I842-I868 HydrophobicContact CG2-CG1 4.1Å; I842-I868 HydrophobicContact CG2-CG2 3.66Å; F843-I868 CarbonylContact O-C 3.49Å; F843-I868 WeakPolarHBondContact O-CA 3.36Å; V844-I868 HydrophobicContact CG2-CG1 4.18Å; I868-I890 HydrophobicContact CG2-CD1 4.25Å |
| 869 | L | 53.5 | Low | 44.4 | Very low | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -45.5 | 177.9 | -64.8 | 176.4 | 0 | 0 | 0 | 111.1 | I697 F843 A845 V867 I903 | I697-L869 HydrophobicContact CD1-CD1 3.76Å; F843-L869 HydrophobicContact CB-CB 4.26Å; F843-L869 PolarHBondContact O-N 3.06Å; A845-L869 HydrophobicContact CB-CD1 3.44Å; A845-L869 VanDerWaalsContact CB-CD1 3.44Å; A845-L869 HydrophobicContact CB-CD2 4.05Å; A845-L869 HydrophobicContact CB-CG 3.73Å; V867-L869 PolarHBondContact O-N 3.11Å; L869-I903 HydrophobicContact CB-CD1 3.85Å; L869-I903 HydrophobicContact CD1-CD1 4.36Å |
| 870 | K | 54.9 | Low | 45.2 | Very low | 25 Ų | 25 | 72.7 Ų | 72.7 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 141.9 | -176.7 | -154.7 | 158.1 | -176.7 | -177.2 | 0 | 112.5 | F843 Y872 P887 I903 | F843-K870 HydrophobicContact CD2-CB 4.44Å; F843-K870 PolarHBondContact N-O 3.28Å; F843-K870 PolarHBondContact O-N 3.47Å; K870-Y872 HydrophobicContact CB-CE2 4.25Å; K870-Y872 HydrophobicContact CD-CE2 3.88Å; K870-Y872 WeakPolarHBondContact CD-OH 3.42Å; K870-Y872 VanDerWaalsContact CE-OH 3.22Å; K870-Y872 WeakPolarHBondContact CE-OH 3.45Å; K870-Y872 HydrophobicContact CG-CD2 4.47Å; K870-Y872 HydrophobicContact CG-CE2 3.77Å; K870-Y872 PolarHBondContact NZ-OH 3.15Å; K870-P887 HydrophobicContact CD-CB 4.36Å; K870-P887 VanDerWaalsContact CE-CB 3.41Å; K870-P887 HydrophobicContact CG-CB 4.09Å; K870-I903 HydrophobicContact CB-CD1 3.94Å; K870-I903 HydrophobicContact CD-CD1 4.38Å; K870-I903 HydrophobicContact CD-CG2 4.27Å |
| 871 | Q | 58.3 | Low | 45.7 | Very low | 43 Ų | 43 | 72.5 Ų | 72.5 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131 | 173.6 | 175.5 | 176.3 | 0.4 | 0 | 0 | 110.2 | H840 I841 I842 P887 | H840-Q871 PolarHBondContact ND1-NE2 3.4Å; I841-Q871 CarbonylContact O-C 3.59Å; I841-Q871 VanDerWaalsContact O-CA 3.31Å; I841-Q871 WeakPolarHBondContact O-CA 2.86Å; I842-Q871 HydrophobicContact CG1-CB 4.36Å; I842-Q871 HydrophobicContact CG1-CG 3.96Å; Q871-P887 WeakPolarHBondContact O-CA 2.99Å |
| 872 | Y | 57.2 | Low | 46.3 | Very low | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.7 | 170.5 | -64.5 | -93.4 | 0 | 0 | 0 | 108.3 | H840 I841 F843 K870 L884 P887 I903 L907 | H840-Y872 CarbonylContact C-O 3.56Å; H840-Y872 VanDerWaalsContact CA-O 3.27Å; H840-Y872 WeakPolarHBondContact CA-O 3.41Å; I841-Y872 PolarHBondContact N-O 3.26Å; I841-Y872 PolarHBondContact O-N 2.94Å; F843-Y872 HydrophobicContact CD2-CD2 4.16Å; F843-Y872 HydrophobicContact CD2-CE2 4.04Å; F843-Y872 AromaticContact CE2-CD2 3.83Å; F843-Y872 HydrophobicContact CE2-CD2 3.83Å; F843-Y872 AromaticContact CE2-CE2 3.73Å; F843-Y872 HydrophobicContact CE2-CE2 3.73Å; K870-Y872 HydrophobicContact CB-CE2 4.25Å; K870-Y872 HydrophobicContact CD-CE2 3.88Å; K870-Y872 WeakPolarHBondContact CD-OH 3.42Å; K870-Y872 VanDerWaalsContact CE-OH 3.22Å; K870-Y872 WeakPolarHBondContact CE-OH 3.45Å; K870-Y872 HydrophobicContact CG-CD2 4.47Å; K870-Y872 HydrophobicContact CG-CE2 3.77Å; K870-Y872 PolarHBondContact NZ-OH 3.15Å; Y872-L884 HydrophobicContact CD1-CD1 3.75Å; Y872-L884 HydrophobicContact CD1-CD2 4.16Å; Y872-L884 HydrophobicContact CG-CD1 4.32Å; Y872-P887 HydrophobicContact CD1-CB 4.06Å; Y872-P887 HydrophobicContact CE1-CB 3.83Å; Y872-P887 HydrophobicContact CE1-CG 4.05Å; Y872-I903 HydrophobicContact CE2-CG2 4Å; Y872-L907 HydrophobicContact CD1-CD1 4.3Å; Y872-L907 HydrophobicContact CD2-CD1 3.69Å; Y872-L907 HydrophobicContact CE1-CD1 3.84Å; Y872-L907 HydrophobicContact CE2-CD1 3.13Å; Y872-L907 HydrophobicContact CE2-CG 4.49Å; Y872-L907 HydrophobicContact CG-CD1 4.23Å; Y872-L907 WeakPolarHBondContact OH-CD1 3.41Å |
| 873 | T | 57.2 | Low | 46.9 | Very low | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.08 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.5 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 108 | F839 H840 Q885 | F839-T873 CarbonylContact O-C 3.36Å; F839-T873 WeakPolarHBondContact O-CA 3.43Å; H840-T873 WeakPolarHBondContact CE1-CG2 2.93Å; H840-T873 PolarHBondContact CE1-OG1 3.4Å; H840-T873 VanDerWaalsContact ND1-CG2 3.34Å; H840-T873 WeakPolarHBondContact ND1-CG2 3.41Å; H840-T873 PolarHBondContact ND1-OG1 3.34Å; T873-Q885 PolarHBondContact O-N 3.37Å |
| 874 | F | 55.5 | Low | 47.4 | Very low | 45 Ų | 45 | 65.4 Ų | 65.4 | 20% | 0.197 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133 | 172.8 | -56.2 | -92.6 | 0 | 0 | 0 | 107.6 | R838 F839 I841 I882 H883 L884 | R838-F874 CarbonylContact C-O 3.58Å; R838-F874 WeakPolarHBondContact CA-O 3.37Å; F839-F874 HydrophobicContact CB-CB 4.25Å; F839-F874 HydrophobicContact CD1-CD2 4.08Å; F839-F874 PolarHBondContact N-O 2.84Å; F839-F874 PolarHBondContact O-N 3.41Å; I841-F874 HydrophobicContact CD1-CD2 4.45Å; I841-F874 HydrophobicContact CD1-CE2 3.61Å; I841-F874 HydrophobicContact CD1-CZ 4.3Å; I841-F874 HydrophobicContact CG1-CD2 4.41Å; I841-F874 HydrophobicContact CG1-CE2 3.87Å; F874-I882 HydrophobicContact CB-CG2 3.96Å; F874-I882 HydrophobicContact CD1-CG2 3.92Å; F874-I882 HydrophobicContact CG-CG2 4.4Å; F874-H883 WeakPolarHBondContact CA-O 3.27Å; F874-L884 HydrophobicContact CD1-CB 4.37Å; F874-L884 HydrophobicContact CD1-CD1 3.93Å; F874-L884 HydrophobicContact CD2-CD1 4.48Å; F874-L884 HydrophobicContact CE1-CB 4.29Å; F874-L884 HydrophobicContact CE1-CD1 3.54Å; F874-L884 HydrophobicContact CE1-CG 4.39Å; F874-L884 HydrophobicContact CE2-CD1 4.12Å; F874-L884 HydrophobicContact CG-CD1 4.39Å; F874-L884 HydrophobicContact CZ-CD1 3.65Å |
| 875 | Y | 55.3 | Low | 48.1 | Very low | 65 Ų | 65 | 65.1 Ų | 65.1 | 26% | 0.255 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139 | 172.2 | 59.5 | -88.6 | 0 | 0 | 0 | 108.7 | L836 H883 Q885 | L836-Y875 HydrophobicContact CD2-CD2 4.45Å; Y875-H883 HydrophobicContact CD2-CB 4.33Å; Y875-H883 HydrophobicContact CE1-CB 4.07Å; Y875-H883 HydrophobicContact CE2-CB 3.77Å; Y875-H883 PolarHBondContact N-O 2.71Å; Y875-H883 VanDerWaalsContact N-O 3.12Å; Y875-H883 PolarHBondContact O-N 2.7Å; Y875-Q885 HydrophobicContact CE1-CB 4.1Å |
| 876 | Q | 46.4 | Very low | 48.4 | Very low | 28 Ų | 28 | 65.9 Ų | 65.9 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118 | 172.9 | -172.6 | 176.7 | 17.4 | 0 | 0 | 108.2 | L806 L836 | L806-Q876 HydrophobicContact CD2-CB 4.3Å; L836-Q876 WeakPolarHBondContact CD2-O 3.15Å; L836-Q876 WeakPolarHBondContact CG-O 3.48Å |
| 877 | N | 48.3 | Very low | 48.6 | Very low | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | trans | -74.3 | 173.2 | 172.7 | 69.9 | 9.8 | 0 | 0 | 0 | 111.2 | H879 E880 I881 | N877-H879 PolarHBondContact O-N 3.42Å; N877-H879 VanDerWaalsContact OD1-C 3.27Å; N877-H879 WeakPolarHBondContact OD1-CA 3.35Å; N877-H879 WeakPolarHBondContact OD1-CB 3.43Å; N877-H879 PolarHBondContact OD1-N 2.94Å; N877-E880 PolarHBondContact O-N 3.33Å; N877-E880 PolarHBondContact OD1-N 3.3Å; N877-I881 PolarHBondContact N-O 3.38Å; N877-I881 VanDerWaalsContact N-O 3.11Å; N877-I881 PolarHBondContact OD1-N 2.97Å; N877-I881 PolarHBondContact OD1-O 2.95Å | ||
| 878 | S | 44.8 | Very low | 48.2 | Very low | 102 Ų | 102 | 67.5 Ų | 67.5 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -12.5 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 879 | H | 42.3 | Very low | 47.7 | Very low | 145 Ų | 145 | 69.4 Ų | 69.4 | 67% | 0.671 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 14.7 | 175.6 | -59.9 | -34.4 | 0 | 0 | 0 | 112.7 | N877 I881 | N877-H879 PolarHBondContact O-N 3.42Å; N877-H879 VanDerWaalsContact OD1-C 3.27Å; N877-H879 WeakPolarHBondContact OD1-CA 3.35Å; N877-H879 WeakPolarHBondContact OD1-CB 3.43Å; N877-H879 PolarHBondContact OD1-N 2.94Å; H879-I881 HydrophobicContact CB-CD1 4.46Å; H879-I881 HydrophobicContact CB-CG1 4.41Å; H879-I881 PolarHBondContact O-N 3.3Å; H879-I881 VanDerWaalsContact O-N 3.11Å |
| 880 | E | 40.2 | Very low | 47.4 | Very low | 105 Ų | 105 | 71.6 Ų | 71.6 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 63 | 16 | 177.8 | -52 | -178.4 | 158.4 | 0 | 0 | 114.3 | N877 | N877-E880 PolarHBondContact O-N 3.33Å; N877-E880 PolarHBondContact OD1-N 3.3Å |
| 881 | I | 37.9 | Very low | 46.7 | Very low | 100 Ų | 100 | 75 Ų | 75 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -90 | 120.8 | 175.1 | -54.3 | 175.5 | 0 | 0 | 0 | 108.1 | N877 H879 H883 | N877-I881 PolarHBondContact N-O 3.38Å; N877-I881 VanDerWaalsContact N-O 3.11Å; N877-I881 PolarHBondContact OD1-N 2.97Å; N877-I881 PolarHBondContact OD1-O 2.95Å; H879-I881 HydrophobicContact CB-CD1 4.46Å; H879-I881 HydrophobicContact CB-CG1 4.41Å; H879-I881 PolarHBondContact O-N 3.3Å; H879-I881 VanDerWaalsContact O-N 3.11Å; I881-H883 PolarHBondContact O-N 2.73Å | ||
| 882 | I | 41.8 | Very low | 45.9 | Very low | 92 Ų | 92 | 80.9 Ų | 80.9 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 108.8 | 170.3 | -58.3 | 173.6 | 0 | 0 | 0 | 107.6 | F874 | F874-I882 HydrophobicContact CB-CG2 3.96Å; F874-I882 HydrophobicContact CD1-CG2 3.92Å; F874-I882 HydrophobicContact CG-CG2 4.4Å |
| 883 | H | 45 | Very low | 44.7 | Very low | 99 Ų | 99 | 84.3 Ų | 84.3 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.4 | 174.7 | -146.7 | -70.3 | 0 | 0 | 0 | 109.7 | F874 Y875 I881 | F874-H883 WeakPolarHBondContact CA-O 3.27Å; Y875-H883 HydrophobicContact CD2-CB 4.33Å; Y875-H883 HydrophobicContact CE1-CB 4.07Å; Y875-H883 HydrophobicContact CE2-CB 3.77Å; Y875-H883 PolarHBondContact N-O 2.71Å; Y875-H883 VanDerWaalsContact N-O 3.12Å; Y875-H883 PolarHBondContact O-N 2.7Å; I881-H883 PolarHBondContact O-N 2.73Å |
| 884 | L | 43.6 | Very low | 43.7 | Very low | 71 Ų | 71 | 88.7 Ų | 88.7 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 123.9 | 166.6 | 179.1 | 67.9 | 0 | 0 | 0 | 108.2 | Y872 F874 | Y872-L884 HydrophobicContact CD1-CD1 3.75Å; Y872-L884 HydrophobicContact CD1-CD2 4.16Å; Y872-L884 HydrophobicContact CG-CD1 4.32Å; F874-L884 HydrophobicContact CD1-CB 4.37Å; F874-L884 HydrophobicContact CD1-CD1 3.93Å; F874-L884 HydrophobicContact CD2-CD1 4.48Å; F874-L884 HydrophobicContact CE1-CB 4.29Å; F874-L884 HydrophobicContact CE1-CD1 3.54Å; F874-L884 HydrophobicContact CE1-CG 4.39Å; F874-L884 HydrophobicContact CE2-CD1 4.12Å; F874-L884 HydrophobicContact CG-CD1 4.39Å; F874-L884 HydrophobicContact CZ-CD1 3.65Å |
| 885 | Q | 51.4 | Low | 42.8 | Very low | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.6 | 167.4 | -161.8 | 170.2 | -1.2 | 0 | 0 | 109 | T873 Y875 | T873-Q885 PolarHBondContact O-N 3.37Å; Y875-Q885 HydrophobicContact CE1-CB 4.1Å |
| 886 | N | 44.6 | Very low | 41.9 | Very low | 144 Ų | 144 | 90.9 Ų | 90.9 | 77% | 0.77 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -46.5 | 125.6 | 177.3 | -84.8 | -15.4 | 0 | 0 | 0 | 109.9 | C888 | N886-C888 PolarHBondContact O-N 3.21Å |
| 887 | P | 44.7 | Very low | 41.5 | Very low | 44 Ų | 44 | 98.4 Ų | 98.4 | 29% | 0.286 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122.4 | -175.2 | 24.3 | -32 | 0 | 0 | 0 | 109.8 | K870 Q871 Y872 C889 | K870-P887 HydrophobicContact CD-CB 4.36Å; K870-P887 VanDerWaalsContact CE-CB 3.41Å; K870-P887 HydrophobicContact CG-CB 4.09Å; Q871-P887 WeakPolarHBondContact O-CA 2.99Å; Y872-P887 HydrophobicContact CD1-CB 4.06Å; Y872-P887 HydrophobicContact CE1-CB 3.83Å; Y872-P887 HydrophobicContact CE1-CG 4.05Å; P887-C889 PolarHBondContact O-N 2.86Å |
| 888 | C | 40.9 | Very low | 41.1 | Very low | 79 Ų | 79 | 98.1 Ų | 98.1 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 111.4 | 172.6 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | N886 I890 | N886-C888 PolarHBondContact O-N 3.21Å; C888-I890 HydrophobicContact CB-CG1 4.45Å |
| 889 | C | 37.5 | Very low | 41 | Very low | 75 Ų | 75 | 94.2 Ų | 94.2 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | trans | -77.2 | 120.4 | 163.9 | -62.7 | 0 | 0 | 0 | 0 | 107.2 | P887 | P887-C889 PolarHBondContact O-N 2.86Š| ||
| 890 | I | 46.5 | Very low | 41.3 | Very low | 74 Ų | 74 | 89 Ų | 89 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | trans | -94.3 | -10 | -172.7 | -60.7 | 177 | 0 | 0 | 0 | 112.4 | I868 C888 | I868-I890 HydrophobicContact CG2-CD1 4.25Å; C888-I890 HydrophobicContact CB-CG1 4.45Å | ||
| 891 | N | 41.2 | Very low | 41.7 | Very low | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -149 | 165.5 | -178.7 | -90.2 | -40.6 | 0 | 0 | 0 | 117.4 | V867 I896 | V867-N891 HydrophobicContact CG1-CB 4.43Å; N891-I896 WeakPolarHBondContact O-CD1 3.45Å |
| 892 | H | 40.9 | Very low | 42.1 | Very low | 165 Ų | 165 | 85.6 Ų | 85.6 | 76% | 0.764 | 47% | 0.465 | S | S | * | . | trans | -44.8 | 152.7 | -162.8 | -89.3 | -90.3 | 0 | 0 | 0 | 119.6 | S894 I896 | H892-S894 PolarHBondContact O-N 2.95Å; H892-I896 WeakPolarHBondContact O-CG1 3.17Å | ||
| 893 | A | 33.3 | Very low | 42.5 | Very low | 85 Ų | 85 | 81.3 Ų | 81.3 | 70% | 0.702 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.5 | -158.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 894 | S | 34.7 | Very low | 42.8 | Very low | 105 Ų | 105 | 80.4 Ų | 80.4 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -30.5 | -171.6 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | H892 I896 | H892-S894 PolarHBondContact O-N 2.95Å; S894-I896 VanDerWaalsContact C-N 3.29Å; S894-I896 PolarHBondContact O-N 3.3Å |
| 895 | D | 36.4 | Very low | 43 | Very low | 94 Ų | 94 | 79.7 Ų | 79.7 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -85.1 | -3 | 176.9 | -68.8 | -29 | 0 | 0 | 0 | 112.8 | S899 | D895-S899 VanDerWaalsContact O-CB 3.29Å; D895-S899 WeakPolarHBondContact O-CB 3.41Å; D895-S899 PolarHBondContact O-N 3.34Å; D895-S899 PolarHBondContact O-OG 3.06Å |
| 896 | I | 36.8 | Very low | 42.8 | Very low | 61 Ų | 61 | 75.4 Ų | 75.4 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.5 | -34.1 | -172.2 | -61.7 | -173.8 | 0 | 0 | 0 | 112.5 | N891 H892 S894 S899 S900 | N891-I896 WeakPolarHBondContact O-CD1 3.45Å; H892-I896 WeakPolarHBondContact O-CG1 3.17Å; S894-I896 VanDerWaalsContact C-N 3.29Å; S894-I896 PolarHBondContact O-N 3.3Å; I896-S899 WeakPolarHBondContact CA-OG 3.4Å; I896-S899 PolarHBondContact O-OG 2.8Å; I896-S900 WeakPolarHBondContact O-CB 3.37Å; I896-S900 PolarHBondContact O-N 3.24Å |
| 897 | Y | 38.1 | Very low | 42.9 | Very low | 186 Ų | 186 | 69.3 Ų | 69.3 | 73% | 0.729 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.9 | -46.4 | -170.4 | -143.1 | -86.4 | 0 | 0 | 0 | 112.4 | Q901 | Y897-Q901 PolarHBondContact O-N 3.33Å |
| 898 | T | 39.4 | Very low | 42.9 | Very low | 37 Ų | 37 | 74.8 Ų | 74.8 | 23% | 0.227 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 175.2 | 26.7 | 0 | 0 | 0 | 0 | 111.5 | S704 L707 L902 | S704-T898 WeakPolarHBondContact OG-CG2 3.24Å; L707-T898 HydrophobicContact CB-CG2 4.15Å; L707-T898 HydrophobicContact CD1-CG2 4.16Å; T898-L902 PolarHBondContact O-N 3.11Å |
| 899 | S | 44.4 | Very low | 43.1 | Very low | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.7 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | D895 I896 Q901 L902 I903 | D895-S899 VanDerWaalsContact O-CB 3.29Å; D895-S899 WeakPolarHBondContact O-CB 3.41Å; D895-S899 PolarHBondContact O-N 3.34Å; D895-S899 PolarHBondContact O-OG 3.06Å; I896-S899 WeakPolarHBondContact CA-OG 3.4Å; I896-S899 PolarHBondContact O-OG 2.8Å; S899-Q901 PolarHBondContact O-N 2.99Å; S899-L902 PolarHBondContact O-N 3.41Å; S899-I903 VanDerWaalsContact O-CB 3.23Å; S899-I903 WeakPolarHBondContact O-CB 3.44Å; S899-I903 VanDerWaalsContact O-CD1 3.29Å; S899-I903 WeakPolarHBondContact O-CD1 3.29Å; S899-I903 WeakPolarHBondContact O-CG1 3.4Å; S899-I903 PolarHBondContact O-N 3.37Å |
| 900 | S | 48.3 | Very low | 43.4 | Very low | 37 Ų | 37 | 69.9 Ų | 69.9 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | -179.3 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | I896 N904 | I896-S900 WeakPolarHBondContact O-CB 3.37Å; I896-S900 PolarHBondContact O-N 3.24Å; S900-N904 VanDerWaalsContact O-CB 3.3Å; S900-N904 WeakPolarHBondContact O-CB 3.42Å; S900-N904 PolarHBondContact O-N 2.78Å; S900-N904 PolarHBondContact O-ND2 3.03Å |
| 901 | Q | 48.6 | Very low | 43.3 | Very low | 120 Ų | 120 | 69.9 Ų | 69.9 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.6 | -47 | 173.7 | -74.1 | -160.3 | -8.8 | 0 | 0 | 111.7 | Y897 S899 I903 N904 I905 | Y897-Q901 PolarHBondContact O-N 3.33Å; S899-Q901 PolarHBondContact O-N 2.99Å; Q901-I903 VanDerWaalsContact C-N 3.34Å; Q901-I903 PolarHBondContact O-N 3.41Å; Q901-N904 PolarHBondContact O-N 2.85Å; Q901-I905 VanDerWaalsContact O-CG1 3.27Å; Q901-I905 WeakPolarHBondContact O-CG1 3.36Å; Q901-I905 PolarHBondContact O-N 3.35Å |
| 902 | L | 47.2 | Very low | 43.3 | Very low | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.9 | -150.9 | 102.6 | 0 | 0 | 0 | 110.9 | I697 L701 L707 F718 T898 S899 I905 C906 | I697-L902 HydrophobicContact CD1-CD2 4.08Å; I697-L902 HydrophobicContact CG1-CD2 4.37Å; I697-L902 HydrophobicContact CG2-CD2 3.55Å; L701-L902 HydrophobicContact CB-CD2 4.21Å; L701-L902 HydrophobicContact CD1-CD2 4.29Å; L707-L902 HydrophobicContact CD1-CD1 4.17Å; F718-L902 HydrophobicContact CZ-CD1 4.14Å; T898-L902 PolarHBondContact O-N 3.11Å; S899-L902 PolarHBondContact O-N 3.41Å; L902-I905 PolarHBondContact O-N 2.8Å; L902-C906 PolarHBondContact O-N 2.97Å; L902-C906 PolarHBondContact O-SG 3.22Å |
| 903 | I | 48.9 | Very low | 43.2 | Very low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.2 | -69.7 | 163.4 | 0 | 0 | 0 | 110.9 | I697 F843 L869 K870 Y872 S899 Q901 I905 C906 L907 | I697-I903 HydrophobicContact CD1-CG1 4.05Å; F843-I903 HydrophobicContact CB-CD1 4.46Å; F843-I903 HydrophobicContact CB-CG1 4.35Å; F843-I903 HydrophobicContact CD1-CG1 4.14Å; F843-I903 HydrophobicContact CD1-CG2 4.4Å; F843-I903 HydrophobicContact CD2-CG2 3.91Å; F843-I903 HydrophobicContact CE1-CG2 4.3Å; F843-I903 HydrophobicContact CE2-CG2 3.81Å; F843-I903 HydrophobicContact CG-CG1 4.12Å; F843-I903 HydrophobicContact CG-CG2 4.2Å; F843-I903 HydrophobicContact CZ-CG2 4.01Å; L869-I903 HydrophobicContact CB-CD1 3.85Å; L869-I903 HydrophobicContact CD1-CD1 4.36Å; K870-I903 HydrophobicContact CB-CD1 3.94Å; K870-I903 HydrophobicContact CD-CD1 4.38Å; K870-I903 HydrophobicContact CD-CG2 4.27Å; Y872-I903 HydrophobicContact CE2-CG2 4Å; S899-I903 VanDerWaalsContact O-CB 3.23Å; S899-I903 WeakPolarHBondContact O-CB 3.44Å; S899-I903 VanDerWaalsContact O-CD1 3.29Å; S899-I903 WeakPolarHBondContact O-CD1 3.29Å; S899-I903 WeakPolarHBondContact O-CG1 3.4Å; S899-I903 PolarHBondContact O-N 3.37Å; Q901-I903 VanDerWaalsContact C-N 3.34Å; Q901-I903 PolarHBondContact O-N 3.41Å; I903-I905 VanDerWaalsContact C-N 3.3Å; I903-I905 PolarHBondContact O-N 3Å; I903-C906 PolarHBondContact O-N 2.97Å; I903-L907 HydrophobicContact CG2-CD1 4.11Å; I903-L907 WeakPolarHBondContact O-CB 3.29Å; I903-L907 PolarHBondContact O-N 2.97Å |
| 904 | N | 51 | Low | 43.5 | Very low | 80 Ų | 80 | 65.2 Ų | 65.2 | 43% | 0.428 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 177.8 | -85.2 | -31 | 0 | 0 | 0 | 112.6 | S900 Q901 K908 | S900-N904 VanDerWaalsContact O-CB 3.3Å; S900-N904 WeakPolarHBondContact O-CB 3.42Å; S900-N904 PolarHBondContact O-N 2.78Å; S900-N904 PolarHBondContact O-ND2 3.03Å; Q901-N904 PolarHBondContact O-N 2.85Å; N904-K908 WeakPolarHBondContact O-CG 3.38Å; N904-K908 PolarHBondContact O-N 2.74Å |
| 905 | I | 49.2 | Very low | 43.7 | Very low | 55 Ų | 55 | 67 Ų | 67 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.6 | -48.2 | 175.6 | -67.6 | 164.6 | 0 | 0 | 0 | 110.1 | F718 Q901 L902 I903 L907 K908 S909 | F718-I905 HydrophobicContact CB-CG2 4.43Å; F718-I905 HydrophobicContact CD1-CG2 3.88Å; F718-I905 HydrophobicContact CG-CG2 4.44Å; Q901-I905 VanDerWaalsContact O-CG1 3.27Å; Q901-I905 WeakPolarHBondContact O-CG1 3.36Å; Q901-I905 PolarHBondContact O-N 3.35Å; L902-I905 PolarHBondContact O-N 2.8Å; I903-I905 VanDerWaalsContact C-N 3.3Å; I903-I905 PolarHBondContact O-N 3Å; I905-L907 VanDerWaalsContact C-N 3.3Å; I905-L907 PolarHBondContact O-N 2.89Å; I905-K908 PolarHBondContact O-N 3Å; I905-S909 PolarHBondContact O-N 3.18Å |
| 906 | C | 45.5 | Very low | 43.8 | Very low | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | F843 L902 I903 S909 V910 | F843-C906 HydrophobicContact CE1-CB 3.83Å; F843-C906 HydrophobicContact CZ-CB 4.44Å; L902-C906 PolarHBondContact O-N 2.97Å; L902-C906 PolarHBondContact O-SG 3.22Å; I903-C906 PolarHBondContact O-N 2.97Å; C906-S909 PolarHBondContact O-N 2.98Å; C906-S909 PolarHBondContact O-OG 2.89Å; C906-V910 WeakPolarHBondContact O-CB 2.93Å; C906-V910 VanDerWaalsContact O-CG2 3.24Å; C906-V910 WeakPolarHBondContact O-CG2 3.06Å; C906-V910 PolarHBondContact O-N 2.82Å |
| 907 | L | 46.9 | Very low | 43.8 | Very low | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.7 | -117.2 | 146.7 | 0 | 0 | 0 | 111.8 | F843 Y872 I903 I905 I911 | F843-L907 HydrophobicContact CE2-CD1 3.87Å; F843-L907 HydrophobicContact CE2-CG 4.29Å; F843-L907 HydrophobicContact CZ-CD1 4.08Å; F843-L907 HydrophobicContact CZ-CG 4.1Å; Y872-L907 HydrophobicContact CD1-CD1 4.3Å; Y872-L907 HydrophobicContact CD2-CD1 3.69Å; Y872-L907 HydrophobicContact CE1-CD1 3.84Å; Y872-L907 HydrophobicContact CE2-CD1 3.13Å; Y872-L907 HydrophobicContact CE2-CG 4.49Å; Y872-L907 HydrophobicContact CG-CD1 4.23Å; Y872-L907 WeakPolarHBondContact OH-CD1 3.41Å; I903-L907 HydrophobicContact CG2-CD1 4.11Å; I903-L907 WeakPolarHBondContact O-CB 3.29Å; I903-L907 PolarHBondContact O-N 2.97Å; I905-L907 VanDerWaalsContact C-N 3.3Å; I905-L907 PolarHBondContact O-N 2.89Å; L907-I911 HydrophobicContact CD2-CD1 3.56Å; L907-I911 HydrophobicContact CD2-CG1 4.12Å; L907-I911 VanDerWaalsContact O-CB 3.24Å; L907-I911 WeakPolarHBondContact O-CB 3.33Å; L907-I911 WeakPolarHBondContact O-CD1 3.3Å; L907-I911 WeakPolarHBondContact O-CG1 3.23Å; L907-I911 PolarHBondContact O-N 2.8Å |
| 908 | K | 46 | Very low | 43.5 | Very low | 159 Ų | 159 | 58.1 Ų | 58.1 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | -79.5 | 180 | 178.3 | -178.6 | 0 | 112 | N904 I905 Y912 | N904-K908 WeakPolarHBondContact O-CG 3.38Å; N904-K908 PolarHBondContact O-N 2.74Å; I905-K908 PolarHBondContact O-N 3Å; K908-Y912 WeakPolarHBondContact O-CB 3.49Å; K908-Y912 PolarHBondContact O-N 3.5Å |
| 909 | S | 45.1 | Very low | 43.3 | Very low | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.7 | -43.1 | 179 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | I905 C906 Y912 A913 | I905-S909 PolarHBondContact O-N 3.18Å; C906-S909 PolarHBondContact O-N 2.98Å; C906-S909 PolarHBondContact O-OG 2.89Å; S909-Y912 PolarHBondContact O-N 3.02Å; S909-A913 WeakPolarHBondContact O-CB 3.35Å; S909-A913 PolarHBondContact O-N 2.98Å |
| 910 | V | 43.7 | Very low | 42.8 | Very low | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | L693 I695 C906 Y912 A913 L914 | L693-V910 HydrophobicContact CD2-CG1 4.24Å; I695-V910 HydrophobicContact CD1-CG2 4.06Å; C906-V910 WeakPolarHBondContact O-CB 2.93Å; C906-V910 VanDerWaalsContact O-CG2 3.24Å; C906-V910 WeakPolarHBondContact O-CG2 3.06Å; C906-V910 PolarHBondContact O-N 2.82Å; V910-Y912 VanDerWaalsContact C-N 3.34Å; V910-Y912 PolarHBondContact O-N 2.94Å; V910-A913 PolarHBondContact O-N 2.82Å; V910-L914 HydrophobicContact CG1-CD1 3.84Å; V910-L914 WeakPolarHBondContact O-CB 2.99Å; V910-L914 WeakPolarHBondContact O-CG 3.26Å; V910-L914 PolarHBondContact O-N 3.18Å |
| 911 | I | 43.7 | Very low | 41.9 | Very low | 73 Ų | 73 | 67.8 Ų | 67.8 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.5 | -72.7 | 170.2 | 0 | 0 | 0 | 110.2 | L907 L914 F915 | L907-I911 HydrophobicContact CD2-CD1 3.56Å; L907-I911 HydrophobicContact CD2-CG1 4.12Å; L907-I911 VanDerWaalsContact O-CB 3.24Å; L907-I911 WeakPolarHBondContact O-CB 3.33Å; L907-I911 WeakPolarHBondContact O-CD1 3.3Å; L907-I911 WeakPolarHBondContact O-CG1 3.23Å; L907-I911 PolarHBondContact O-N 2.8Å; I911-L914 PolarHBondContact O-N 3.18Å; I911-F915 HydrophobicContact CG2-CD2 3.56Å; I911-F915 HydrophobicContact CG2-CE2 3.61Å; I911-F915 VanDerWaalsContact O-CD2 3.26Å; I911-F915 WeakPolarHBondContact O-CD2 3.16Å; I911-F915 PolarHBondContact O-N 3.24Å |
| 912 | Y | 40.8 | Very low | 41 | Very low | 169 Ų | 169 | 65.8 Ų | 65.8 | 66% | 0.663 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 179.1 | -164.2 | -85.1 | 0 | 0 | 0 | 112.3 | K908 S909 V910 L914 F915 E916 | K908-Y912 WeakPolarHBondContact O-CB 3.49Å; K908-Y912 PolarHBondContact O-N 3.5Å; S909-Y912 PolarHBondContact O-N 3.02Å; V910-Y912 VanDerWaalsContact C-N 3.34Å; V910-Y912 PolarHBondContact O-N 2.94Å; Y912-L914 VanDerWaalsContact C-N 3.34Å; Y912-L914 PolarHBondContact O-N 2.88Å; Y912-F915 PolarHBondContact O-N 2.99Å; Y912-E916 PolarHBondContact O-N 2.73Å |
| 913 | A | 39.7 | Very low | 40.3 | Very low | 46 Ų | 46 | 71.8 Ų | 71.8 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S909 V910 E916 A917 | S909-A913 WeakPolarHBondContact O-CB 3.35Å; S909-A913 PolarHBondContact O-N 2.98Å; V910-A913 PolarHBondContact O-N 2.82Å; A913-E916 PolarHBondContact O-N 3.08Å; A913-A917 WeakPolarHBondContact O-CB 3.12Å; A913-A917 PolarHBondContact O-N 3.33Å |
| 914 | L | 38.9 | Very low | 39.4 | Very low | 35 Ų | 35 | 76.2 Ų | 76.2 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 173.1 | -79.3 | 162.2 | 0 | 0 | 0 | 111.5 | W803 V910 I911 Y912 A917 V918 | W803-L914 HydrophobicContact CH2-CD1 4.48Å; W803-L914 HydrophobicContact CH2-CD2 4.46Å; W803-L914 HydrophobicContact CZ2-CD2 4.39Å; V910-L914 HydrophobicContact CG1-CD1 3.84Å; V910-L914 WeakPolarHBondContact O-CB 2.99Å; V910-L914 WeakPolarHBondContact O-CG 3.26Å; V910-L914 PolarHBondContact O-N 3.18Å; I911-L914 PolarHBondContact O-N 3.18Å; Y912-L914 VanDerWaalsContact C-N 3.34Å; Y912-L914 PolarHBondContact O-N 2.88Å; L914-A917 PolarHBondContact O-N 3.45Å; L914-V918 VanDerWaalsContact O-CG2 3.27Å; L914-V918 WeakPolarHBondContact O-CG2 3.4Å; L914-V918 PolarHBondContact O-N 3.26Å |
| 915 | F | 39.1 | Very low | 38.3 | Very low | 142 Ų | 142 | 75.2 Ų | 75.2 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 176.2 | -91.2 | -72.7 | 0 | 0 | 0 | 112.6 | I911 Y912 V918 E919 | I911-F915 HydrophobicContact CG2-CD2 3.56Å; I911-F915 HydrophobicContact CG2-CE2 3.61Å; I911-F915 VanDerWaalsContact O-CD2 3.26Å; I911-F915 WeakPolarHBondContact O-CD2 3.16Å; I911-F915 PolarHBondContact O-N 3.24Å; Y912-F915 PolarHBondContact O-N 2.99Å; F915-V918 PolarHBondContact O-N 3.06Å; F915-E919 PolarHBondContact O-N 2.89Å |
| 916 | E | 39.3 | Very low | 37.3 | Very low | 74 Ų | 74 | 80 Ų | 80 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.7 | -168.9 | -176.3 | 165.8 | 0 | 0 | 111.7 | Y912 A913 V918 E919 R920 | Y912-E916 PolarHBondContact O-N 2.73Å; A913-E916 PolarHBondContact O-N 3.08Å; E916-V918 VanDerWaalsContact C-N 3.3Å; E916-V918 PolarHBondContact O-N 2.88Å; E916-E919 PolarHBondContact O-N 3.18Å; E916-R920 WeakPolarHBondContact O-CG 3.34Å; E916-R920 PolarHBondContact O-N 3.06Å; E916-R920 IonicContact OE1-CZ 2.74Å; E916-R920 IonicContact OE1-NE 2.9Å; E916-R920 PolarHBondContact OE1-NE 3.26Å; E916-R920 IonicContact OE1-NH2 3.88Å; E916-R920 PolarHBondContact OE1-NH2 2.93Å |
| 917 | A | 35.3 | Very low | 36.5 | Very low | 44 Ų | 44 | 83.7 Ų | 83.7 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A913 L914 G921 | A913-A917 WeakPolarHBondContact O-CB 3.12Å; A913-A917 PolarHBondContact O-N 3.33Å; L914-A917 PolarHBondContact O-N 3.45Å; A917-G921 PolarHBondContact O-N 3.34Å |
| 918 | V | 33.1 | Very low | 35.5 | Very low | 38 Ų | 38 | 88 Ų | 88 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 173.5 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | W803 L914 F915 E916 R920 G921 L922 | W803-V918 VanDerWaalsContact NE1-CG2 3.26Å; L914-V918 VanDerWaalsContact O-CG2 3.27Å; L914-V918 WeakPolarHBondContact O-CG2 3.4Å; L914-V918 PolarHBondContact O-N 3.26Å; F915-V918 PolarHBondContact O-N 3.06Å; E916-V918 VanDerWaalsContact C-N 3.3Å; E916-V918 PolarHBondContact O-N 2.88Å; V918-R920 VanDerWaalsContact C-N 3.33Å; V918-R920 PolarHBondContact O-N 2.9Å; V918-G921 PolarHBondContact O-N 3.19Å; V918-L922 HydrophobicContact CG1-CD1 3.79Å; V918-L922 HydrophobicContact CG1-CG 4.3Å; V918-L922 WeakPolarHBondContact O-CG 3.18Å; V918-L922 PolarHBondContact O-N 3.39Å |
| 919 | E | 34.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 90.3 Ų | 90.3 | 46% | 0.463 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 178.2 | -168.1 | -165.1 | 156.3 | 0 | 0 | 111.6 | F915 E916 L922 K923 | F915-E919 PolarHBondContact O-N 2.89Å; E916-E919 PolarHBondContact O-N 3.18Å; E919-L922 PolarHBondContact O-N 3.12Å; E919-K923 HydrophobicContact CG-CD 4.47Å; E919-K923 WeakPolarHBondContact O-CB 3.23Å; E919-K923 WeakPolarHBondContact O-CG 3.29Å; E919-K923 PolarHBondContact O-N 2.92Å; E919-K923 WeakPolarHBondContact OE1-CE 3.34Å; E919-K923 IonicContact OE1-NZ 2.87Å; E919-K923 PolarHBondContact OE1-NZ 3.02Å |
| 920 | R | 34.5 | Very low | 33.7 | Very low | 169 Ų | 169 | 94.2 Ų | 94.2 | 64% | 0.638 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 177.1 | -68.1 | -178.5 | -175.8 | -166.5 | 3 | 111.9 | E916 V918 Y924 | E916-R920 WeakPolarHBondContact O-CG 3.34Å; E916-R920 PolarHBondContact O-N 3.06Å; E916-R920 IonicContact OE1-CZ 2.74Å; E916-R920 IonicContact OE1-NE 2.9Å; E916-R920 PolarHBondContact OE1-NE 3.26Å; E916-R920 IonicContact OE1-NH2 3.88Å; E916-R920 PolarHBondContact OE1-NH2 2.93Å; V918-R920 VanDerWaalsContact C-N 3.33Å; V918-R920 PolarHBondContact O-N 2.9Å; R920-Y924 WeakPolarHBondContact O-CB 3.08Å; R920-Y924 PolarHBondContact O-N 2.78Å; R920-Y924 VanDerWaalsContact O-N 3.12Å |
| 921 | G | 29.2 | Very low | 33 | Very low | 27 Ų | 27 | 99 Ų | 99 | 28% | 0.278 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A917 V918 Y924 T925 | A917-G921 PolarHBondContact O-N 3.34Å; V918-G921 PolarHBondContact O-N 3.19Å; G921-Y924 WeakPolarHBondContact O-CB 2.97Å; G921-Y924 PolarHBondContact O-N 2.78Å; G921-T925 PolarHBondContact O-N 2.92Å; G921-T925 PolarHBondContact O-OG1 2.74Å |
| 922 | L | 29.2 | Very low | 32 | Very low | 79 Ų | 79 | 100.8 Ų | 100.8 | 41% | 0.414 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.7 | -39.2 | 178.7 | -74 | 170 | 0 | 0 | 0 | 113 | V918 E919 Y924 T925 H926 | V918-L922 HydrophobicContact CG1-CD1 3.79Å; V918-L922 HydrophobicContact CG1-CG 4.3Å; V918-L922 WeakPolarHBondContact O-CG 3.18Å; V918-L922 PolarHBondContact O-N 3.39Å; E919-L922 PolarHBondContact O-N 3.12Å; L922-Y924 PolarHBondContact O-N 3.38Å; L922-T925 WeakPolarHBondContact CA-OG1 2.95Å; L922-T925 PolarHBondContact O-N 3.12Å; L922-T925 PolarHBondContact O-OG1 3.03Å; L922-T925 VanDerWaalsContact O-OG1 3.04Å; L922-H926 PolarHBondContact O-N 3.11Å; L922-H926 VanDerWaalsContact O-N 3.11Å |
| 923 | K | 31.7 | Very low | 31.2 | Very low | 138 Ų | 138 | 98 Ų | 98 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.1 | -36.1 | 172.2 | -80.8 | 174.3 | 170.6 | 167.7 | 0 | 111.5 | E919 S927 | E919-K923 HydrophobicContact CG-CD 4.47Å; E919-K923 WeakPolarHBondContact O-CB 3.23Å; E919-K923 WeakPolarHBondContact O-CG 3.29Å; E919-K923 PolarHBondContact O-N 2.92Å; E919-K923 WeakPolarHBondContact OE1-CE 3.34Å; E919-K923 IonicContact OE1-NZ 2.87Å; E919-K923 PolarHBondContact OE1-NZ 3.02Å; K923-S927 PolarHBondContact O-N 3.41Å |
| 924 | Y | 31.6 | Very low | 30.3 | Very low | 95 Ų | 95 | 102 Ų | 102 | 37% | 0.373 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.8 | -42.8 | 176.5 | -178.4 | -96.2 | 0 | 0 | 0 | 113.3 | R920 G921 L922 H926 S927 K928 | R920-Y924 WeakPolarHBondContact O-CB 3.08Å; R920-Y924 PolarHBondContact O-N 2.78Å; R920-Y924 VanDerWaalsContact O-N 3.12Å; G921-Y924 WeakPolarHBondContact O-CB 2.97Å; G921-Y924 PolarHBondContact O-N 2.78Å; L922-Y924 PolarHBondContact O-N 3.38Å; Y924-H926 VanDerWaalsContact C-N 3.32Å; Y924-H926 PolarHBondContact O-N 3.49Å; Y924-S927 PolarHBondContact O-N 2.83Å; Y924-S927 PolarHBondContact O-OG 3.27Å; Y924-K928 HydrophobicContact CE1-CD 4.27Å; Y924-K928 PolarHBondContact OH-NZ 2.7Å |
| 925 | T | 26.9 | Very low | 29.6 | Very low | 59 Ų | 59 | 108.1 Ų | 108.1 | 36% | 0.362 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.6 | -34.4 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | G921 L922 K928 | G921-T925 PolarHBondContact O-N 2.92Å; G921-T925 PolarHBondContact O-OG1 2.74Å; L922-T925 WeakPolarHBondContact CA-OG1 2.95Å; L922-T925 PolarHBondContact O-N 3.12Å; L922-T925 PolarHBondContact O-OG1 3.03Å; L922-T925 VanDerWaalsContact O-OG1 3.04Å; T925-K928 PolarHBondContact O-N 3.12Å |
| 926 | H | 27.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 105.7 Ų | 105.7 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.5 | -27.6 | 175.9 | -95.1 | -66.6 | 0 | 0 | 0 | 114.2 | L922 Y924 K928 | L922-H926 PolarHBondContact O-N 3.11Å; L922-H926 VanDerWaalsContact O-N 3.11Å; Y924-H926 VanDerWaalsContact C-N 3.32Å; Y924-H926 PolarHBondContact O-N 3.49Å; H926-K928 PolarHBondContact O-N 2.81Å |
| 927 | S | 29.3 | Very low | 27.9 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -13 | 176.8 | 94.1 | 0 | 0 | 0 | 0 | 113.3 | K923 Y924 | K923-S927 PolarHBondContact O-N 3.41Å; Y924-S927 PolarHBondContact O-N 2.83Å; Y924-S927 PolarHBondContact O-OG 3.27Å |
| 928 | K | 26.4 | Very low | 27.2 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 47% | 0.47 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.6 | -13.8 | -167.9 | -128.7 | 176.6 | -177.8 | 175.8 | 0 | 115.5 | Y924 T925 H926 | Y924-K928 HydrophobicContact CE1-CD 4.27Å; Y924-K928 PolarHBondContact OH-NZ 2.7Å; T925-K928 PolarHBondContact O-N 3.12Å; H926-K928 PolarHBondContact O-N 2.81Å |
| 929 | Y | 26.6 | Very low | 26.6 | Very low | 207 Ų | 207 | 115.6 Ų | 115.6 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -137 | 72.3 | 178.2 | -67.8 | -81.1 | 0 | 0 | 0 | 113.6 | ||||
| 930 | P | 26.8 | Very low | 25.9 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | trans | -81.5 | -21.7 | 177.9 | -10.1 | 27.9 | 0 | 0 | 0 | 113.9 | ||||
| 931 | N | 27.9 | Very low | 25.3 | Very low | 132 Ų | 132 | 114.8 Ų | 114.8 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -129.6 | 90.8 | -162 | -68.7 | -24.1 | 0 | 0 | 0 | 113.3 | ||||
| 932 | A | 22.8 | Very low | 24.9 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 90% | 0.901 | 68% | 0.682 | S | S | * | * | trans | -99.9 | 66.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 933 | T | 24.2 | Very low | 24.7 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | trans | -99.2 | 109.7 | 172.6 | 32.4 | 0 | 0 | 0 | 0 | 109.4 | N935 | T933-N935 PolarHBondContact O-N 3.5Š| ||
| 934 | T | 21.3 | Very low | 24.6 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 70% | 0.703 | S | S | * | * | trans | -45.3 | 121.5 | 160.6 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 935 | N | 24 | Very low | 24.1 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -145.2 | 120 | 153.8 | -96.5 | -23.5 | 0 | 0 | 0 | 111 | T933 | T933-N935 PolarHBondContact O-N 3.5Š| ||
| 936 | S | 21.5 | Very low | 23.9 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | trans | -87.6 | 158.2 | -178.1 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 937 | L | 20.8 | Very low | 23.7 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 89.9 | 138.9 | 144.2 | -73.3 | 151.2 | 0 | 0 | 0 | 120.6 | ||||
| 938 | S | 21.7 | Very low | 23.4 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 81.5 | 99 | 156.6 | 69.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 939 | S | 19.6 | Very low | 23.2 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | 71.5 | 107.8 | 70.2 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 940 | T | 21.3 | Very low | 23.1 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | 168 | 106.9 | 128.5 | 28.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 941 | V | 20.2 | Very low | 23 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | 67 | 101.1 | 98 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 942 | Y | 20.8 | Very low | 23.1 | Very low | 229 Ų | 229 | 133.8 Ų | 133.8 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | -164.7 | 112.5 | 124.8 | -106.4 | -78.1 | 0 | 0 | 0 | 109.7 | |||||
| 943 | N | 25.9 | Very low | 23.3 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -114.4 | -180 | 160.9 | -121.3 | -10.1 | 0 | 0 | 0 | 104.4 | ||||
| 944 | P | 29 | Very low | 23.4 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | -142 | -161.5 | -5.2 | 29.4 | -2.8 | 0 | 0 | 0 | 112.9 | ||||
| 945 | T | 21.4 | Very low | 23.5 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 104.2 | 113.5 | 153.2 | 69 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 946 | M | 22.8 | Very low | 23.5 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | 171.6 | 113.6 | 104.8 | -156.3 | 166.5 | 167.7 | 0 | 0 | 112.4 | |||||
| 947 | F | 22.8 | Very low | 23.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | 64.4 | 146 | 145.3 | -72.7 | -124.2 | 0 | 0 | 0 | 119.3 | ||||
| 948 | L | 23.5 | Very low | 23.5 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | -174 | 137.8 | -4.8 | -103.1 | 179.3 | 0 | 0 | 0 | 105.3 | ||||
| 949 | N | 21.7 | Very low | 23.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | trans | 53 | 143.2 | 132.3 | -70.6 | 30.7 | 0 | 0 | 0 | 120.6 | ||||
| 950 | D | 26.1 | Very low | 23.5 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | cis | -161.5 | 137.6 | 13.5 | -82.9 | -32.8 | 0 | 0 | 0 | 104.7 | ||||
| 951 | D | 24.6 | Very low | 23.5 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 87.1 | 143.8 | 117.9 | -70.6 | -25.9 | 0 | 0 | 0 | 118 | |||||
| 952 | D | 29.8 | Very low | 23.4 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 88 | 88.8 | 166.7 | -58.1 | -23 | 0 | 0 | 0 | 120.3 | ||||
| 953 | D | 25.5 | Very low | 23.4 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 39.5 | 98.2 | 118.4 | -67.1 | -20.4 | 0 | 0 | 0 | 119.2 | |||||
| 954 | D | 26.5 | Very low | 23 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | -161.4 | 123.9 | 121.6 | -111.6 | -27.4 | 0 | 0 | 0 | 112 | G956 | D954-G956 PolarHBondContact O-N 2.89Š| |||
| 955 | H | 24.6 | Very low | 22.6 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -77.8 | 103.6 | 178.2 | -76.5 | -78.8 | 0 | 0 | 0 | 110.6 | ||||
| 956 | G | 23.7 | Very low | 22.5 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | -143.9 | 106 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D954 Q958 | D954-G956 PolarHBondContact O-N 2.89Å; G956-Q958 PolarHBondContact O-N 3.33Å | ||
| 957 | N | 22 | Very low | 22.2 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -34.9 | 112.7 | -177.7 | -84 | -32.2 | 0 | 0 | 0 | 115.7 | H959 | N957-H959 PolarHBondContact O-N 3.4Š| ||
| 958 | Q | 20.2 | Very low | 22 | Very low | 170 Ų | 170 | 153 Ų | 153 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 92.3 | 159 | -68.2 | -179 | -7 | 0 | 0 | 109.9 | G956 | G956-Q958 PolarHBondContact O-N 3.33Š| ||
| 959 | H | 21.2 | Very low | 21.8 | Very low | 154 Ų | 154 | 155.7 Ų | 155.7 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -105.7 | 67.7 | 150.5 | -77.1 | -63.3 | 0 | 0 | 0 | 108.3 | N957 H961 | N957-H959 PolarHBondContact O-N 3.4Å; H959-H961 PolarHBondContact O-N 3.47Å | ||
| 960 | Y | 19.6 | Very low | 21.7 | Very low | 202 Ų | 202 | 159 Ų | 159 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 88.5 | 157.6 | -91.2 | -89.3 | 0 | 0 | 0 | 107.4 | N962 | Y960-N962 PolarHBondContact O-N 3.23Å; Y960-N962 VanDerWaalsContact O-N 3.07Å | ||
| 961 | H | 21 | Very low | 21.5 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | trans | -64.4 | 105.7 | 159.5 | -93.4 | -78.1 | 0 | 0 | 0 | 107.2 | H959 F963 | H959-H961 PolarHBondContact O-N 3.47Å; H961-F963 VanDerWaalsContact C-N 3.32Å; H961-F963 PolarHBondContact O-N 3.2Å | ||
| 962 | N | 19.6 | Very low | 21.3 | Very low | 155 Ų | 155 | 160.8 Ų | 160.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -47.5 | 90.6 | 169.9 | -77.8 | -35.2 | 0 | 0 | 0 | 111.1 | Y960 | Y960-N962 PolarHBondContact O-N 3.23Å; Y960-N962 VanDerWaalsContact O-N 3.07Å | ||
| 963 | F | 19.5 | Very low | 20.9 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -104.8 | 31 | 167.2 | -117.5 | -83.1 | 0 | 0 | 0 | 110.7 | H961 | H961-F963 VanDerWaalsContact C-N 3.32Å; H961-F963 PolarHBondContact O-N 3.2Å | ||
| 964 | L | 18.7 | Very low | 20.7 | Very low | 156 Ų | 156 | 159.4 Ų | 159.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -105.7 | 130.5 | 165.2 | -121.6 | 76.4 | 0 | 0 | 0 | 108.1 | ||||
| 965 | T | 18.7 | Very low | 20.5 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 99.2 | 49.2 | 169.1 | -25.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 966 | Y | 19.6 | Very low | 20.4 | Very low | 232 Ų | 232 | 155.1 Ų | 155.1 | 91% | 0.91 | 76% | 0.764 | S | S | * | * | trans | -122.8 | 62.7 | 141 | -79.6 | -78.8 | 0 | 0 | 0 | 108.9 | T968 | Y966-T968 PolarHBondContact O-N 2.83Å; Y966-T968 VanDerWaalsContact O-N 3.09Å | ||
| 967 | K | 17.5 | Very low | 20.5 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -60.6 | 110 | 158.1 | -121.2 | 179.8 | 179.3 | 179.4 | 0 | 105.9 | F969 | K967-F969 WeakPolarHBondContact O-CD2 3.47Å; K967-F969 PolarHBondContact O-N 2.73Å | ||
| 968 | T | 19.2 | Very low | 20.7 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -40.7 | 105.4 | 176.4 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | Y966 F970 | Y966-T968 PolarHBondContact O-N 2.83Å; Y966-T968 VanDerWaalsContact O-N 3.09Å; T968-F970 PolarHBondContact O-N 2.96Å; T968-F970 VanDerWaalsContact O-N 3.17Å | ||
| 969 | F | 19.3 | Very low | 20.8 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -75.2 | 100.1 | 173.7 | -87.6 | -91 | 0 | 0 | 0 | 108.7 | K967 I971 | K967-F969 WeakPolarHBondContact O-CD2 3.47Å; K967-F969 PolarHBondContact O-N 2.73Å; F969-I971 PolarHBondContact O-N 3.01Å | ||
| 970 | F | 19.7 | Very low | 21 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 124.6 | 162.2 | -77.7 | -94.9 | 0 | 0 | 0 | 109.2 | T968 | T968-F970 PolarHBondContact O-N 2.96Å; T968-F970 VanDerWaalsContact O-N 3.17Å | ||
| 971 | I | 21 | Very low | 21.2 | Very low | 92 Ų | 92 | 157.2 Ų | 157.2 | 47% | 0.472 | 76% | 0.764 | S | S | . | * | trans | -135.8 | 139.1 | 169.2 | -60.8 | -179.4 | 0 | 0 | 0 | 107.5 | F969 | F969-I971 PolarHBondContact O-N 3.01Š| ||
| 972 | Y | 21.2 | Very low | 21.2 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 85.3 | 105.3 | -166.6 | -57.1 | -73.9 | 0 | 0 | 0 | 111.8 | ||
| 973 | S | 21.3 | Very low | 21.3 | Very low | 95 Ų | 95 | 157.5 Ų | 157.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -137.6 | 165.1 | 30.6 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||
| 974 | D | 20.6 | Very low | 21.4 | Very low | 156 Ų | 156 | 152 Ų | 152 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 93.9 | 60.8 | 176.8 | -50.3 | -14.7 | 0 | 0 | 0 | 115.5 | ||||
| 975 | I | 22.6 | Very low | 21.5 | Very low | 136 Ų | 136 | 150 Ų | 150 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | -96 | 116.4 | 149.9 | -63 | 176.6 | 0 | 0 | 0 | 106.5 | M977 | I975-M977 PolarHBondContact O-N 3.01Š| ||
| 976 | D | 22.8 | Very low | 21.6 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -59.6 | 128.9 | 173.7 | -129.5 | -27.9 | 0 | 0 | 0 | 109.5 | E978 E979 | D976-E978 PolarHBondContact O-N 3.28Å; D976-E979 PolarHBondContact O-N 2.99Å | ||
| 977 | M | 24.6 | Very low | 21.7 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -7.3 | -169.3 | -77.4 | -81.4 | -69.9 | 0 | 0 | 114.2 | I975 | I975-M977 PolarHBondContact O-N 3.01Š|
| 978 | E | 25.8 | Very low | 21.8 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -24.2 | -179.3 | -91.6 | -175.5 | 158 | 0 | 0 | 114.1 | D976 | D976-E978 PolarHBondContact O-N 3.28Š|
| 979 | E | 23.7 | Very low | 21.9 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -84.2 | -14.7 | -178.6 | -113.5 | -176.7 | 171.3 | 0 | 0 | 113.8 | D976 | D976-E979 PolarHBondContact O-N 2.99Š|
| 980 | L | 24.8 | Very low | 22.1 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -79.3 | -21 | -178.2 | -153.5 | 77.2 | 0 | 0 | 0 | 113.2 | N982 | L980-N982 PolarHBondContact O-N 2.76Š|
| 981 | E | 23.4 | Very low | 22.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -69 | -21.1 | 179.4 | -86.2 | -167.6 | 153.7 | 0 | 0 | 113.2 | ||
| 982 | N | 22.6 | Very low | 22.7 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -92.1 | -0.8 | -171.1 | -78.1 | -29.3 | 0 | 0 | 0 | 116.3 | L980 | L980-N982 PolarHBondContact O-N 2.76Š|
| 983 | Y | 21.2 | Very low | 22.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -130.6 | 31.9 | -176 | -71 | -75.7 | 0 | 0 | 0 | 115.5 | T985 | Y983-T985 VanDerWaalsContact C-N 3.3Å; Y983-T985 PolarHBondContact O-N 3.09Å; Y983-T985 PolarHBondContact O-OG1 3.46Å |
| 984 | A | 20.5 | Very low | 23 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -64.1 | 86.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 985 | T | 21.9 | Very low | 23.3 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | trans | -111 | 99.9 | 176 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | Y983 | Y983-T985 VanDerWaalsContact C-N 3.3Å; Y983-T985 PolarHBondContact O-N 3.09Å; Y983-T985 PolarHBondContact O-OG1 3.46Å | ||
| 986 | H | 20.9 | Very low | 23.5 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | trans | 16.5 | 103.8 | 147.9 | -58 | 71.6 | 0 | 0 | 0 | 118.1 | ||||
| 987 | V | 20.9 | Very low | 23.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | -96.3 | 112.2 | 160.4 | 178 | 0 | 0 | 0 | 0 | 108.6 | I989 | V987-I989 HydrophobicContact CG1-CG1 4.2Š| ||
| 988 | Y | 20.1 | Very low | 23.7 | Very low | 210 Ų | 210 | 129.5 Ų | 129.5 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -79.7 | 119.1 | 166.3 | -92.2 | -96.3 | 0 | 0 | 0 | 109.2 | ||||
| 989 | I | 21.8 | Very low | 23.8 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 67% | 0.672 | 67% | 0.665 | S | S | * | * | trans | -99 | 107.7 | 165.9 | -60 | 175.7 | 0 | 0 | 0 | 106.3 | V987 V991 | V987-I989 HydrophobicContact CG1-CG1 4.2Å; I989-V991 PolarHBondContact O-N 3.44Å | ||
| 990 | D | 23 | Very low | 23.8 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | trans | -69.4 | 100.8 | 176.9 | -172.9 | -3 | 0 | 0 | 0 | 109.5 | N992 Q993 | D990-N992 PolarHBondContact O-N 3.47Å; D990-N992 VanDerWaalsContact OD1-CB 3.28Å; D990-N992 WeakPolarHBondContact OD1-CB 3.2Å; D990-N992 PolarHBondContact OD1-N 3.41Å; D990-N992 VanDerWaalsContact OD1-N 3.13Å; D990-N992 PolarHBondContact OD1-ND2 2.79Å; D990-Q993 PolarHBondContact O-N 3.43Å | ||
| 991 | V | 25.6 | Very low | 23.8 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 58% | 0.576 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -53.6 | -23.8 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | I989 Q993 I994 T995 | I989-V991 PolarHBondContact O-N 3.44Å; V991-Q993 VanDerWaalsContact C-N 3.28Å; V991-Q993 PolarHBondContact O-N 2.78Å; V991-I994 PolarHBondContact O-N 3.35Å; V991-I994 VanDerWaalsContact O-N 3.09Å; V991-T995 PolarHBondContact O-N 2.89Å; V991-T995 PolarHBondContact O-OG1 2.65Å |
| 992 | N | 26.6 | Very low | 23.8 | Very low | 112 Ų | 112 | 123 Ų | 123 | 60% | 0.599 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.2 | -24.5 | -177.4 | -62 | -49.3 | 0 | 0 | 0 | 113.9 | D990 T995 S996 | D990-N992 PolarHBondContact O-N 3.47Å; D990-N992 VanDerWaalsContact OD1-CB 3.28Å; D990-N992 WeakPolarHBondContact OD1-CB 3.2Å; D990-N992 PolarHBondContact OD1-N 3.41Å; D990-N992 VanDerWaalsContact OD1-N 3.13Å; D990-N992 PolarHBondContact OD1-ND2 2.79Å; N992-T995 WeakPolarHBondContact CA-OG1 3.39Å; N992-T995 PolarHBondContact O-N 2.79Å; N992-S996 PolarHBondContact O-N 2.87Å |
| 993 | Q | 24.7 | Very low | 23.7 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.6 | -30.2 | 173.6 | -76.4 | -158.8 | 2.4 | 0 | 0 | 112.9 | D990 V991 I997 | D990-Q993 PolarHBondContact O-N 3.43Å; V991-Q993 VanDerWaalsContact C-N 3.28Å; V991-Q993 PolarHBondContact O-N 2.78Å; Q993-I997 PolarHBondContact O-N 2.94Å |
| 994 | I | 25.8 | Very low | 23.7 | Very low | 109 Ų | 109 | 124 Ų | 124 | 56% | 0.559 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.8 | -36.6 | 172 | -66.5 | 167.4 | 0 | 0 | 0 | 109.7 | V991 S996 I997 V998 | V991-I994 PolarHBondContact O-N 3.35Å; V991-I994 VanDerWaalsContact O-N 3.09Å; I994-S996 VanDerWaalsContact C-N 3.26Å; I994-S996 PolarHBondContact O-N 3.27Å; I994-I997 PolarHBondContact O-N 2.97Å; I994-V998 HydrophobicContact CG2-CG2 4.49Å; I994-V998 WeakPolarHBondContact O-CG2 3.31Å; I994-V998 PolarHBondContact O-N 3.31Å; I994-V998 VanDerWaalsContact O-N 3.14Å |
| 995 | T | 27.2 | Very low | 23.8 | Very low | 59 Ų | 59 | 125 Ų | 125 | 36% | 0.362 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.9 | -27.6 | 176.4 | -16.5 | 0 | 0 | 0 | 0 | 112.6 | V991 N992 N999 | V991-T995 PolarHBondContact O-N 2.89Å; V991-T995 PolarHBondContact O-OG1 2.65Å; N992-T995 WeakPolarHBondContact CA-OG1 3.39Å; N992-T995 PolarHBondContact O-N 2.79Å; T995-N999 VanDerWaalsContact O-CB 3.31Å; T995-N999 WeakPolarHBondContact O-CB 3.39Å; T995-N999 VanDerWaalsContact O-CG 3.27Å; T995-N999 PolarHBondContact O-N 3.13Å; T995-N999 VanDerWaalsContact O-N 3.12Å; T995-N999 PolarHBondContact O-ND2 3.02Å |
| 996 | S | 25 | Very low | 23.7 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 50% | 0.497 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -69.6 | -36.6 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | N992 I994 N999 T1000 | N992-S996 PolarHBondContact O-N 2.87Å; I994-S996 VanDerWaalsContact C-N 3.26Å; I994-S996 PolarHBondContact O-N 3.27Å; S996-N999 PolarHBondContact O-N 3.29Å; S996-T1000 PolarHBondContact O-OG1 3.06Å |
| 997 | I | 25.6 | Very low | 23.7 | Very low | 130 Ų | 130 | 124 Ų | 124 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.1 | -31.9 | -179.7 | -65.7 | 172.8 | 0 | 0 | 0 | 110.7 | Q993 I994 N999 | Q993-I997 PolarHBondContact O-N 2.94Å; I994-I997 PolarHBondContact O-N 2.97Å; I997-N999 VanDerWaalsContact C-N 3.32Å |
| 998 | V | 27 | Very low | 23.8 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.3 | -29.4 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | I994 | I994-V998 HydrophobicContact CG2-CG2 4.49Å; I994-V998 WeakPolarHBondContact O-CG2 3.31Å; I994-V998 PolarHBondContact O-N 3.31Å; I994-V998 VanDerWaalsContact O-N 3.14Å |
| 999 | N | 27.4 | Very low | 23.9 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -1.8 | -175.6 | -74.8 | -12.1 | 0 | 0 | 0 | 116 | T995 S996 I997 | T995-N999 VanDerWaalsContact O-CB 3.31Å; T995-N999 WeakPolarHBondContact O-CB 3.39Å; T995-N999 VanDerWaalsContact O-CG 3.27Å; T995-N999 PolarHBondContact O-N 3.13Å; T995-N999 VanDerWaalsContact O-N 3.12Å; T995-N999 PolarHBondContact O-ND2 3.02Å; S996-N999 PolarHBondContact O-N 3.29Å; I997-N999 VanDerWaalsContact C-N 3.32Å |
| 1000 | T | 23.8 | Very low | 24 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 0.4 | 178.4 | 49.5 | 0 | 0 | 0 | 0 | 115.6 | S996 T1002 | S996-T1000 PolarHBondContact O-OG1 3.06Å; T1000-T1002 PolarHBondContact O-N 3.32Å |
| 1001 | N | 25 | Very low | 23.9 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.3 | 89.2 | 167.7 | -78.7 | -8.8 | 0 | 0 | 0 | 109.9 | L1003 | N1001-L1003 PolarHBondContact O-N 3.39Å; N1001-L1003 VanDerWaalsContact O-N 3.1Å |
| 1002 | T | 23.1 | Very low | 24 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -30.4 | 103.5 | 166.6 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | T1000 E1004 | T1000-T1002 PolarHBondContact O-N 3.32Å; T1002-E1004 PolarHBondContact O-N 2.95Å | ||
| 1003 | L | 20.7 | Very low | 23.9 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -73.3 | 91.6 | 152.2 | -89.1 | 146.7 | 0 | 0 | 0 | 108.5 | N1001 | N1001-L1003 PolarHBondContact O-N 3.39Å; N1001-L1003 VanDerWaalsContact O-N 3.1Å | ||
| 1004 | E | 21.2 | Very low | 23.9 | Very low | 180 Ų | 180 | 124 Ų | 124 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | trans | -108.5 | 91.9 | 150.5 | -78.5 | -175.3 | 157.4 | 0 | 0 | 105 | T1002 | T1002-E1004 PolarHBondContact O-N 2.95Š| ||
| 1005 | V | 21.9 | Very low | 23.8 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | 44.5 | 84.6 | 88.7 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1006 | I | 21.6 | Very low | 23.7 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -119.7 | 96.5 | 140.8 | -62.6 | 179.7 | 0 | 0 | 0 | 105.6 | ||||
| 1007 | C | 19.5 | Very low | 23.6 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | trans | -59 | 138 | 153.2 | -67.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1008 | D | 23.1 | Very low | 23.3 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | -176.4 | 119.1 | 118.7 | -84.8 | -14.9 | 0 | 0 | 0 | 110.2 | |||||
| 1009 | D | 22.2 | Very low | 23 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | 50.4 | 113.2 | 133.1 | -63.5 | -21.9 | 0 | 0 | 0 | 119.5 | ||||
| 1010 | I | 24.9 | Very low | 22.6 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | -149.8 | 102.9 | 108.3 | -84.4 | 135.7 | 0 | 0 | 0 | 107.6 | |||||
| 1011 | N | 20.9 | Very low | 22.4 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -69.3 | 124.3 | 158.9 | -84.8 | -47.9 | 0 | 0 | 0 | 109.5 | ||||
| 1012 | T | 26.9 | Very low | 22.1 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | -164.2 | 95.2 | 147.2 | 41.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1013 | T | 24 | Very low | 21.8 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | 76.3 | 131.3 | 92.1 | 55 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1014 | N | 25.4 | Very low | 21.8 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 88.6 | 102.2 | 155.5 | -62.7 | -23 | 0 | 0 | 0 | 116.5 | ||||
| 1015 | N | 24.1 | Very low | 21.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | 88 | 129.5 | 72 | -85.7 | -19.8 | 0 | 0 | 0 | 112.9 | |||||
| 1016 | N | 24.6 | Very low | 21.7 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 99.4 | 109.2 | 149 | -62.1 | -18.1 | 0 | 0 | 0 | 120.2 | ||||
| 1017 | S | 23.3 | Very low | 21.6 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 69.7 | 105.5 | 124.5 | 66.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1018 | F | 18 | Very low | 21.6 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | 26.7 | 111.1 | 117.9 | -89.7 | -94.5 | 0 | 0 | 0 | 117.5 | |||||
| 1019 | F | 22 | Very low | 21.4 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -149.6 | 116.6 | 139.2 | -105.5 | -79.7 | 0 | 0 | 0 | 109.7 | ||||
| 1020 | S | 18.9 | Very low | 21.3 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 132.4 | 160.6 | 64.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1021 | L | 20 | Very low | 21.1 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -154.4 | 142 | 157.1 | -105.5 | 150.5 | 0 | 0 | 0 | 111 | ||||
| 1022 | S | 18 | Very low | 21.1 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 154.7 | -167.1 | 55.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1023 | F | 17.2 | Very low | 20.8 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 23.8 | 117.2 | 140.7 | -73.2 | -92.6 | 0 | 0 | 0 | 117.7 | ||||
| 1024 | T | 20.5 | Very low | 20.7 | Very low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | 168.5 | 151.8 | 113 | 35.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1025 | S | 21.5 | Very low | 20.4 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 95.7 | 126.1 | 155.4 | 81.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1026 | K | 18.5 | Very low | 20.2 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -79.5 | 132 | 174.4 | -67.8 | 165.7 | 169 | 175.6 | 0 | 109.7 | ||||
| 1027 | S | 20.8 | Very low | 20.1 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -155.1 | 106.8 | 149.5 | 67.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1028 | I | 19.5 | Very low | 20.2 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | 59.9 | 104.6 | 94.1 | -59.3 | 173 | 0 | 0 | 0 | 112.6 | |||||
| 1029 | Y | 18.1 | Very low | 20.6 | Very low | 211 Ų | 211 | 150.6 Ų | 150.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 25.7 | 120.2 | 144.5 | -76.6 | -94.5 | 0 | 0 | 0 | 119.1 | ||||
| 1030 | N | 20.5 | Very low | 21.1 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | -166.2 | 134.1 | 119.8 | -97.9 | -29.3 | 0 | 0 | 0 | 113.3 | |||||
| 1031 | S | 20.2 | Very low | 21.7 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | 1.4 | 125.2 | 153.8 | 55.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1032 | N | 22 | Very low | 22.2 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -162.1 | 116.2 | 130.5 | -91.4 | -25.7 | 0 | 0 | 0 | 111.2 | L1034 | N1032-L1034 PolarHBondContact O-N 2.74Š| ||
| 1033 | I | 19 | Very low | 22.7 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -66.6 | 113.5 | 167.8 | -67.4 | 161.6 | 0 | 0 | 0 | 107 | ||||
| 1034 | L | 21.8 | Very low | 23.3 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -124.4 | 104.7 | 161 | -86.7 | 168.1 | 0 | 0 | 0 | 108.6 | N1032 Y1036 | N1032-L1034 PolarHBondContact O-N 2.74Å; L1034-Y1036 PolarHBondContact O-N 2.85Å | ||
| 1035 | S | 19.3 | Very low | 23.8 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -44.5 | 114.8 | 164.4 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1036 | Y | 21.1 | Very low | 24.2 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -116.8 | 132.4 | 158.5 | -101.6 | -88.8 | 0 | 0 | 0 | 109.2 | L1034 I1038 | L1034-Y1036 PolarHBondContact O-N 2.85Å; Y1036-I1038 PolarHBondContact O-N 2.96Å | ||
| 1037 | P | 22.7 | Very low | 24.9 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -73.3 | 115.9 | 178.4 | 29 | -30.4 | 0 | 0 | 0 | 109.3 | K1039 | P1037-K1039 VanDerWaalsContact C-N 3.34Å; P1037-K1039 PolarHBondContact O-N 2.96Å | ||
| 1038 | I | 24.3 | Very low | 25.5 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | trans | -71.4 | 88 | 176.5 | -57 | 168 | 0 | 0 | 0 | 107.9 | Y1036 | Y1036-I1038 PolarHBondContact O-N 2.96Š| ||
| 1039 | K | 26.2 | Very low | 26.2 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | trans | -103.6 | 118.6 | 163.6 | -79.2 | -174.1 | 175 | -179 | 0 | 108.7 | P1037 | P1037-K1039 VanDerWaalsContact C-N 3.34Å; P1037-K1039 PolarHBondContact O-N 2.96Å | ||
| 1040 | N | 32.2 | Very low | 26.9 | Very low | 108 Ų | 108 | 119 Ų | 119 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | trans | 67.6 | 38.9 | 164.5 | -69.6 | -2.6 | 0 | 0 | 0 | 119.9 | V1042 Q1043 | N1040-V1042 PolarHBondContact O-N 3.39Å; N1040-Q1043 PolarHBondContact ND2-OE1 2.98Å; N1040-Q1043 PolarHBondContact O-N 2.8Å | ||
| 1041 | S | 32.8 | Very low | 27.5 | Very low | 63 Ų | 63 | 117.7 Ų | 117.7 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -59.8 | -27 | 172.4 | 63 | 0 | 0 | 0 | 0 | 114.1 | T1045 | S1041-T1045 WeakPolarHBondContact O-CB 3.5Å; S1041-T1045 PolarHBondContact O-N 3.46Å; S1041-T1045 PolarHBondContact O-OG1 2.75Å |
| 1042 | V | 30 | Very low | 28.2 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 62% | 0.618 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.7 | -43.5 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | N1040 T1045 V1046 | N1040-V1042 PolarHBondContact O-N 3.39Å; V1042-T1045 PolarHBondContact O-N 3.29Å; V1042-V1046 HydrophobicContact CG1-CG2 4.3Å; V1042-V1046 VanDerWaalsContact O-CG2 3.3Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.44Å; V1042-V1046 PolarHBondContact O-N 3.28Å |
| 1043 | Q | 29.3 | Very low | 28.6 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | 179.7 | -79.2 | 173.4 | -26.3 | 0 | 0 | 112.1 | N1040 T1045 V1046 A1047 | N1040-Q1043 PolarHBondContact ND2-OE1 2.98Å; N1040-Q1043 PolarHBondContact O-N 2.8Å; Q1043-T1045 VanDerWaalsContact C-N 3.32Å; Q1043-T1045 PolarHBondContact O-N 3.46Å; Q1043-V1046 PolarHBondContact O-N 3.32Å; Q1043-A1047 VanDerWaalsContact O-CB 3.28Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.43Å; Q1043-A1047 PolarHBondContact O-N 3.28Å |
| 1044 | Q | 29.3 | Very low | 29.2 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 71% | 0.71 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.5 | -35.8 | 173.9 | -79.2 | -176.6 | -15.6 | 0 | 0 | 112.2 | S1048 | Q1044-S1048 WeakPolarHBondContact O-CB 3.17Å; Q1044-S1048 PolarHBondContact O-N 3.47Å |
| 1045 | T | 30.7 | Very low | 29.7 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.6 | -44.6 | 177.1 | -54 | 0 | 0 | 0 | 0 | 110.8 | S1041 V1042 Q1043 S1048 V1049 | S1041-T1045 WeakPolarHBondContact O-CB 3.5Å; S1041-T1045 PolarHBondContact O-N 3.46Å; S1041-T1045 PolarHBondContact O-OG1 2.75Å; V1042-T1045 PolarHBondContact O-N 3.29Å; Q1043-T1045 VanDerWaalsContact C-N 3.32Å; Q1043-T1045 PolarHBondContact O-N 3.46Å; T1045-S1048 PolarHBondContact O-N 3.17Å; T1045-V1049 HydrophobicContact CG2-CG2 4.46Å; T1045-V1049 WeakPolarHBondContact O-CB 3.25Å; T1045-V1049 VanDerWaalsContact O-CG2 3.26Å; T1045-V1049 WeakPolarHBondContact O-CG2 3.36Å; T1045-V1049 PolarHBondContact O-N 2.86Å |
| 1046 | V | 30.9 | Very low | 30.2 | Very low | 77 Ų | 77 | 115 Ų | 115 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -44.3 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | V1042 Q1043 S1048 V1049 L1050 | V1042-V1046 HydrophobicContact CG1-CG2 4.3Å; V1042-V1046 VanDerWaalsContact O-CG2 3.3Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.44Å; V1042-V1046 PolarHBondContact O-N 3.28Å; Q1043-V1046 PolarHBondContact O-N 3.32Å; V1046-S1048 PolarHBondContact O-N 3.49Å; V1046-V1049 PolarHBondContact O-N 3.39Å; V1046-L1050 HydrophobicContact CG1-CD1 3.79Å; V1046-L1050 WeakPolarHBondContact O-CB 3.38Å; V1046-L1050 WeakPolarHBondContact O-CG 3.3Å; V1046-L1050 PolarHBondContact O-N 3.2Å |
| 1047 | A | 32.2 | Very low | 30.6 | Very low | 56 Ų | 56 | 108.3 Ų | 108.3 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1043 L1050 L1051 | Q1043-A1047 VanDerWaalsContact O-CB 3.28Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.43Å; Q1043-A1047 PolarHBondContact O-N 3.28Å; A1047-L1050 PolarHBondContact O-N 3.41Å; A1047-L1051 VanDerWaalsContact O-CB 3.23Å; A1047-L1051 WeakPolarHBondContact O-CB 3.23Å; A1047-L1051 PolarHBondContact O-N 3.25Å |
| 1048 | S | 33.4 | Very low | 30.8 | Very low | 57 Ų | 57 | 108.2 Ų | 108.2 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -40.8 | 176.5 | -179 | 0 | 0 | 0 | 0 | 112.5 | Q1044 T1045 V1046 K1052 | Q1044-S1048 WeakPolarHBondContact O-CB 3.17Å; Q1044-S1048 PolarHBondContact O-N 3.47Å; T1045-S1048 PolarHBondContact O-N 3.17Å; V1046-S1048 PolarHBondContact O-N 3.49Å; S1048-K1052 WeakPolarHBondContact O-CB 3.25Å; S1048-K1052 WeakPolarHBondContact O-CG 3.22Å; S1048-K1052 PolarHBondContact O-N 2.81Å |
| 1049 | V | 34.1 | Very low | 31.1 | Very low | 81 Ų | 81 | 106 Ų | 106 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | T1045 V1046 L1051 K1052 Y1053 | T1045-V1049 HydrophobicContact CG2-CG2 4.46Å; T1045-V1049 WeakPolarHBondContact O-CB 3.25Å; T1045-V1049 VanDerWaalsContact O-CG2 3.26Å; T1045-V1049 WeakPolarHBondContact O-CG2 3.36Å; T1045-V1049 PolarHBondContact O-N 2.86Å; V1046-V1049 PolarHBondContact O-N 3.39Å; V1049-L1051 PolarHBondContact O-N 2.93Å; V1049-K1052 PolarHBondContact O-N 3.45Å; V1049-Y1053 WeakPolarHBondContact O-CB 3.45Å; V1049-Y1053 PolarHBondContact O-N 2.81Å |
| 1050 | L | 32.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.4 | -80.4 | 164.6 | 0 | 0 | 0 | 112.1 | V1046 A1047 Y1053 L1054 | V1046-L1050 HydrophobicContact CG1-CD1 3.79Å; V1046-L1050 WeakPolarHBondContact O-CB 3.38Å; V1046-L1050 WeakPolarHBondContact O-CG 3.3Å; V1046-L1050 PolarHBondContact O-N 3.2Å; A1047-L1050 PolarHBondContact O-N 3.41Å; L1050-Y1053 PolarHBondContact O-N 3.26Å; L1050-L1054 WeakPolarHBondContact O-CB 3.27Å; L1050-L1054 PolarHBondContact O-N 2.96Å |
| 1051 | L | 34.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 101.5 Ų | 101.5 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.8 | -39.1 | 177.9 | -156.5 | 81.6 | 0 | 0 | 0 | 111.4 | A1047 V1049 Y1053 N1055 | A1047-L1051 VanDerWaalsContact O-CB 3.23Å; A1047-L1051 WeakPolarHBondContact O-CB 3.23Å; A1047-L1051 PolarHBondContact O-N 3.25Å; V1049-L1051 PolarHBondContact O-N 2.93Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; L1051-N1055 VanDerWaalsContact O-CB 3.24Å; L1051-N1055 WeakPolarHBondContact O-CB 3.31Å; L1051-N1055 PolarHBondContact O-N 3.35Å |
| 1052 | K | 34 | Very low | 30.5 | Very low | 151 Ų | 151 | 106.4 Ų | 106.4 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -37 | 173.1 | -80.5 | 179.8 | 177.8 | -178.7 | 0 | 112.2 | S1048 V1049 F1056 | S1048-K1052 WeakPolarHBondContact O-CB 3.25Å; S1048-K1052 WeakPolarHBondContact O-CG 3.22Å; S1048-K1052 PolarHBondContact O-N 2.81Å; V1049-K1052 PolarHBondContact O-N 3.45Å; K1052-F1056 VanDerWaalsContact O-CB 3.29Å; K1052-F1056 WeakPolarHBondContact O-CB 3.34Å; K1052-F1056 PolarHBondContact O-N 2.79Å |
| 1053 | Y | 30.4 | Very low | 30.3 | Very low | 149 Ų | 149 | 105 Ų | 105 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.8 | -41.8 | 178.2 | -133.9 | -90.6 | 0 | 0 | 0 | 111.6 | V1049 L1050 L1051 F1056 I1057 | V1049-Y1053 WeakPolarHBondContact O-CB 3.45Å; V1049-Y1053 PolarHBondContact O-N 2.81Å; L1050-Y1053 PolarHBondContact O-N 3.26Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; Y1053-F1056 PolarHBondContact O-N 3.03Å; Y1053-I1057 HydrophobicContact CD1-CD1 4.05Å; Y1053-I1057 HydrophobicContact CD1-CG1 4.5Å; Y1053-I1057 VanDerWaalsContact O-CG1 3.29Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.26Å; Y1053-I1057 PolarHBondContact O-N 3.22Å |
| 1054 | L | 30.8 | Very low | 30.1 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 171.8 | -88.1 | 156.2 | 0 | 0 | 0 | 111.4 | L1050 I1057 Q1058 | L1050-L1054 WeakPolarHBondContact O-CB 3.27Å; L1050-L1054 PolarHBondContact O-N 2.96Å; L1054-I1057 PolarHBondContact O-N 3.3Å; L1054-Q1058 WeakPolarHBondContact O-CB 3.38Å; L1054-Q1058 PolarHBondContact O-N 3.21Å |
| 1055 | N | 32.2 | Very low | 29.8 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 176.5 | -164.4 | 28.1 | 0 | 0 | 0 | 112.2 | L1051 Q1058 N1059 | L1051-N1055 VanDerWaalsContact O-CB 3.24Å; L1051-N1055 WeakPolarHBondContact O-CB 3.31Å; L1051-N1055 PolarHBondContact O-N 3.35Å; N1055-Q1058 PolarHBondContact O-N 2.75Å; N1055-N1059 WeakPolarHBondContact O-CB 3.29Å; N1055-N1059 VanDerWaalsContact O-CG 3.31Å; N1055-N1059 PolarHBondContact O-N 2.81Å; N1055-N1059 PolarHBondContact O-ND2 3.12Å; N1055-N1059 PolarHBondContact OD1-ND2 2.76Å |
| 1056 | F | 31.7 | Very low | 29.7 | Very low | 124 Ų | 124 | 109.5 Ų | 109.5 | 54% | 0.544 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -45.4 | 171.7 | 178 | -99.2 | 0 | 0 | 0 | 110.8 | K1052 Y1053 Q1058 N1059 S1060 | K1052-F1056 VanDerWaalsContact O-CB 3.29Å; K1052-F1056 WeakPolarHBondContact O-CB 3.34Å; K1052-F1056 PolarHBondContact O-N 2.79Å; Y1053-F1056 PolarHBondContact O-N 3.03Å; F1056-Q1058 VanDerWaalsContact C-N 3.32Å; F1056-Q1058 PolarHBondContact O-N 2.74Å; F1056-N1059 PolarHBondContact O-N 2.77Å; F1056-S1060 WeakPolarHBondContact CE2-OG 3.47Å; F1056-S1060 WeakPolarHBondContact CZ-OG 3.33Å; F1056-S1060 WeakPolarHBondContact O-CB 3.4Å; F1056-S1060 PolarHBondContact O-N 2.62Å; F1056-S1060 PolarHBondContact O-OG 2.82Å; F1056-S1060 VanDerWaalsContact O-OG 3.06Å |
| 1057 | I | 28.9 | Very low | 29.9 | Very low | 68 Ų | 68 | 113 Ų | 113 | 35% | 0.349 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | 174.6 | -67.1 | 166.9 | 0 | 0 | 0 | 110.4 | Y1053 L1054 N1059 F1061 | Y1053-I1057 HydrophobicContact CD1-CD1 4.05Å; Y1053-I1057 HydrophobicContact CD1-CG1 4.5Å; Y1053-I1057 VanDerWaalsContact O-CG1 3.29Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.26Å; Y1053-I1057 PolarHBondContact O-N 3.22Å; L1054-I1057 PolarHBondContact O-N 3.3Å; I1057-N1059 PolarHBondContact O-N 2.93Å; I1057-F1061 HydrophobicContact CB-CD2 4.45Å; I1057-F1061 HydrophobicContact CG2-CD2 3.96Å; I1057-F1061 HydrophobicContact CG2-CE2 4.5Å; I1057-F1061 WeakPolarHBondContact O-CB 3.38Å; I1057-F1061 WeakPolarHBondContact O-CD2 3.23Å; I1057-F1061 PolarHBondContact O-N 2.72Å; I1057-F1061 VanDerWaalsContact O-N 3.13Å |
| 1058 | Q | 26.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -42.3 | 178.1 | -165.2 | 175.8 | 5.1 | 0 | 0 | 112.5 | L1054 N1055 F1056 | L1054-Q1058 WeakPolarHBondContact O-CB 3.38Å; L1054-Q1058 PolarHBondContact O-N 3.21Å; N1055-Q1058 PolarHBondContact O-N 2.75Å; F1056-Q1058 VanDerWaalsContact C-N 3.32Å; F1056-Q1058 PolarHBondContact O-N 2.74Å |
| 1059 | N | 29.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.3 | -31.8 | -178.8 | -69.7 | -49 | 0 | 0 | 0 | 113.6 | N1055 F1056 I1057 | N1055-N1059 WeakPolarHBondContact O-CB 3.29Å; N1055-N1059 VanDerWaalsContact O-CG 3.31Å; N1055-N1059 PolarHBondContact O-N 2.81Å; N1055-N1059 PolarHBondContact O-ND2 3.12Å; N1055-N1059 PolarHBondContact OD1-ND2 2.76Å; F1056-N1059 PolarHBondContact O-N 2.77Å; I1057-N1059 PolarHBondContact O-N 2.93Å |
| 1060 | S | 29.1 | Very low | 28.6 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.8 | -23.7 | -179 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | F1056 | F1056-S1060 WeakPolarHBondContact CE2-OG 3.47Å; F1056-S1060 WeakPolarHBondContact CZ-OG 3.33Å; F1056-S1060 WeakPolarHBondContact O-CB 3.4Å; F1056-S1060 PolarHBondContact O-N 2.62Å; F1056-S1060 PolarHBondContact O-OG 2.82Å; F1056-S1060 VanDerWaalsContact O-OG 3.06Å |
| 1061 | F | 25.6 | Very low | 28.2 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 6.6 | -176.6 | -66.2 | -75.7 | 0 | 0 | 0 | 115 | I1057 L1063 | I1057-F1061 HydrophobicContact CB-CD2 4.45Å; I1057-F1061 HydrophobicContact CG2-CD2 3.96Å; I1057-F1061 HydrophobicContact CG2-CE2 4.5Å; I1057-F1061 WeakPolarHBondContact O-CB 3.38Å; I1057-F1061 WeakPolarHBondContact O-CD2 3.23Å; I1057-F1061 PolarHBondContact O-N 2.72Å; I1057-F1061 VanDerWaalsContact O-N 3.13Å; F1061-L1063 HydrophobicContact CB-CD1 3.98Å; F1061-L1063 HydrophobicContact CB-CG 3.88Å; F1061-L1063 PolarHBondContact O-N 3.24Å |
| 1062 | H | 25.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 129 Ų | 129 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 38.6 | 174.6 | -95.1 | -72.8 | 0 | 0 | 0 | 113.5 | I1064 | H1062-I1064 PolarHBondContact O-N 3.18Š|
| 1063 | L | 24.7 | Very low | 27.1 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 38% | 0.382 | 63% | 0.626 | S | S | . | * | trans | -78 | 93 | -176 | -65.4 | 166.7 | 0 | 0 | 0 | 108.9 | F1061 F1065 L1070 | F1061-L1063 HydrophobicContact CB-CD1 3.98Å; F1061-L1063 HydrophobicContact CB-CG 3.88Å; F1061-L1063 PolarHBondContact O-N 3.24Å; L1063-F1065 HydrophobicContact CB-CD2 4.29Å; L1063-F1065 HydrophobicContact CB-CE2 3.66Å; L1063-F1065 HydrophobicContact CB-CZ 4.27Å; L1063-F1065 WeakPolarHBondContact O-CD2 3.22Å; L1063-L1070 HydrophobicContact CD2-CD1 4.5Å | ||
| 1064 | I | 25.5 | Very low | 26.8 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -82.8 | 114.4 | 171.5 | -59.9 | 174.7 | 0 | 0 | 0 | 107.4 | H1062 | H1062-I1064 PolarHBondContact O-N 3.18Š| ||
| 1065 | F | 23.5 | Very low | 26.5 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | trans | -97 | 111.4 | 175.7 | -69.1 | -93.6 | 0 | 0 | 0 | 108.5 | L1063 | L1063-F1065 HydrophobicContact CB-CD2 4.29Å; L1063-F1065 HydrophobicContact CB-CE2 3.66Å; L1063-F1065 HydrophobicContact CB-CZ 4.27Å; L1063-F1065 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1066 | E | 27.3 | Very low | 26.1 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -119.8 | 131.9 | 155.1 | -79.1 | -156.7 | 159.1 | 0 | 0 | 109 | N1068 | E1066-N1068 PolarHBondContact O-N 3.25Š|
| 1067 | D | 35.6 | Very low | 25.7 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.6 | 46.8 | 169.3 | -63.5 | -15 | 0 | 0 | 0 | 117 | K1069 | D1067-K1069 PolarHBondContact O-N 3.46Å; D1067-K1069 VanDerWaalsContact O-N 3.08Å |
| 1068 | N | 26.7 | Very low | 25.3 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.2 | 23.3 | 165 | -65.8 | -33.7 | 0 | 0 | 0 | 115.8 | E1066 | E1066-N1068 PolarHBondContact O-N 3.25Š|
| 1069 | K | 23.5 | Very low | 25.1 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 73% | 0.726 | 72% | 0.719 | S | S | * | * | trans | -133 | 122 | 173 | -71 | -174.6 | 179.3 | 178.6 | 0 | 111.8 | D1067 L1071 | D1067-K1069 PolarHBondContact O-N 3.46Å; D1067-K1069 VanDerWaalsContact O-N 3.08Å; K1069-L1071 PolarHBondContact O-N 3Å | ||
| 1070 | L | 22 | Very low | 24.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 100.9 | 173.4 | -161.3 | 111 | 0 | 0 | 0 | 108.7 | L1063 | L1063-L1070 HydrophobicContact CD2-CD1 4.5Š| ||
| 1071 | L | 23.9 | Very low | 24.3 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -98.1 | 100.9 | 171.8 | -93.6 | 158.3 | 0 | 0 | 0 | 109.3 | K1069 N1073 | K1069-L1071 PolarHBondContact O-N 3Å; L1071-N1073 VanDerWaalsContact C-N 3.34Å; L1071-N1073 PolarHBondContact O-N 2.85Å; L1071-N1073 VanDerWaalsContact O-N 3.1Å | ||
| 1072 | L | 22.4 | Very low | 24 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -73.6 | 92.1 | 162 | -137.4 | 92 | 0 | 0 | 0 | 106.8 | Q1074 | L1072-Q1074 PolarHBondContact O-N 3.33Š| ||
| 1073 | N | 24.6 | Very low | 23.9 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | trans | -75.4 | 90.8 | -177.1 | -163.1 | 5.9 | 0 | 0 | 0 | 110 | L1071 Q1075 | L1071-N1073 VanDerWaalsContact C-N 3.34Å; L1071-N1073 PolarHBondContact O-N 2.85Å; L1071-N1073 VanDerWaalsContact O-N 3.1Å; N1073-Q1075 PolarHBondContact O-N 3.34Å | ||
| 1074 | Q | 23.3 | Very low | 23.7 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 10.1 | 176.5 | -102.5 | -174.6 | -17.9 | 0 | 0 | 114 | L1072 | L1072-Q1074 PolarHBondContact O-N 3.33Š|
| 1075 | Q | 23.8 | Very low | 23.6 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 1.6 | -166.7 | -91.9 | 180 | -25 | 0 | 0 | 118.1 | N1073 | N1073-Q1075 PolarHBondContact O-N 3.34Š|
| 1076 | E | 24.8 | Very low | 23.4 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -110.1 | 1.9 | -174.7 | -81.9 | -170.4 | 156.8 | 0 | 0 | 117.9 | ||
| 1077 | I | 23.4 | Very low | 23.2 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -111.8 | -6.1 | -178.6 | -62.3 | -179.8 | 0 | 0 | 0 | 114.6 | ||
| 1078 | L | 20.8 | Very low | 22.5 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -107.3 | 10.6 | -177.1 | -88.2 | 166.5 | 0 | 0 | 0 | 116.7 | ||
| 1079 | Q | 21.6 | Very low | 22.1 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -123.9 | 34.9 | -169.3 | -138 | 172.3 | 18.5 | 0 | 0 | 117.2 | ||
| 1080 | S | 21.7 | Very low | 22 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -133.1 | 12.2 | 173.5 | 73.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1081 | L | 20.9 | Very low | 21.8 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -127.9 | 2.6 | 176.1 | -79.8 | 166.8 | 0 | 0 | 0 | 116.3 | ||
| 1082 | Y | 19.6 | Very low | 21.7 | Very low | 215 Ų | 215 | 151 Ų | 151 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -108 | 77.1 | 166.4 | -77.2 | -82.3 | 0 | 0 | 0 | 110 | ||||
| 1083 | T | 22.1 | Very low | 21.7 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -113 | 83.5 | 154.2 | 40.9 | 0 | 0 | 0 | 0 | 106.7 | P1085 | T1083-P1085 VanDerWaalsContact O-CD 3.26Å; T1083-P1085 WeakPolarHBondContact O-CD 3.42Å | ||
| 1084 | D | 20.8 | Very low | 21.5 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -69.7 | 116.3 | 162.8 | -107.8 | -26.2 | 0 | 0 | 0 | 107.4 | V1086 | D1084-V1086 PolarHBondContact O-N 3.32Š| ||
| 1085 | P | 22.8 | Very low | 21.5 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -75.6 | 99.5 | 165.4 | 30.1 | -25.5 | 0 | 0 | 0 | 107 | T1083 H1087 | T1083-P1085 VanDerWaalsContact O-CD 3.26Å; T1083-P1085 WeakPolarHBondContact O-CD 3.42Å; P1085-H1087 VanDerWaalsContact C-N 3.29Å; P1085-H1087 PolarHBondContact O-N 3.32Å | ||
| 1086 | V | 20.8 | Very low | 21.3 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -54.9 | 95.5 | 159.9 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | D1084 | D1084-V1086 PolarHBondContact O-N 3.32Š| ||
| 1087 | H | 22.5 | Very low | 21.1 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -118.5 | 87.8 | 159 | -90.8 | -53.7 | 0 | 0 | 0 | 108.8 | P1085 F1089 | P1085-H1087 VanDerWaalsContact C-N 3.29Å; P1085-H1087 PolarHBondContact O-N 3.32Å; H1087-F1089 HydrophobicContact CB-CD2 4.47Å; H1087-F1089 PolarHBondContact O-N 3.17Å; H1087-F1089 VanDerWaalsContact O-N 3.17Å | ||
| 1088 | S | 19.6 | Very low | 21 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -51.7 | 107.4 | 147.6 | 51.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1089 | F | 19.5 | Very low | 21 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -128 | 118.7 | 160.7 | -102 | -82.4 | 0 | 0 | 0 | 110.1 | H1087 | H1087-F1089 HydrophobicContact CB-CD2 4.47Å; H1087-F1089 PolarHBondContact O-N 3.17Å; H1087-F1089 VanDerWaalsContact O-N 3.17Å | ||
| 1090 | N | 21.2 | Very low | 21.1 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -46.8 | 146.3 | 177.6 | -109.1 | -20.9 | 0 | 0 | 0 | 114 | ||||
| 1091 | E | 18.1 | Very low | 21.1 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -53.1 | 152.7 | 154.5 | -65 | -179.5 | 149.9 | 0 | 0 | 111.2 | ||
| 1092 | N | 20.5 | Very low | 20.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 95.3 | 89 | 177.7 | -53.1 | -38.8 | 0 | 0 | 0 | 115.4 | ||||
| 1093 | N | 22.9 | Very low | 20.9 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | -163.5 | 114 | 120.3 | -94.8 | -29.6 | 0 | 0 | 0 | 111.6 | |||||
| 1094 | S | 20.5 | Very low | 20.6 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -49.8 | 124.9 | 154 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1095 | N | 22.9 | Very low | 20.5 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -167.4 | 90.5 | 152.7 | -87.9 | -29.2 | 0 | 0 | 0 | 106.9 | ||||
| 1096 | I | 20.7 | Very low | 20.3 | Very low | 138 Ų | 138 | 143 Ų | 143 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | 49.5 | 89.3 | 100 | -52.5 | 171.8 | 0 | 0 | 0 | 111.7 | |||||
| 1097 | F | 21.1 | Very low | 20.2 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -125.8 | 96 | 140.4 | -93.8 | -77.9 | 0 | 0 | 0 | 108.1 | ||||
| 1098 | S | 21 | Very low | 20.1 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 121.9 | 169.7 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1099 | T | 21 | Very low | 20.3 | Very low | 131 Ų | 131 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -115.1 | 135.9 | 151.9 | 48 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1100 | P | 22 | Very low | 20.5 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 143 | -156.8 | -2.2 | 21.6 | 0 | 0 | 0 | 112.4 | ||||
| 1101 | P | 21.7 | Very low | 20.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 131.2 | 171.5 | 29.2 | -30.3 | 0 | 0 | 0 | 111.2 | H1103 | P1101-H1103 PolarHBondContact O-N 3.41Š| ||
| 1102 | I | 18.2 | Very low | 21 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 109.9 | 178.1 | -64.5 | 170.9 | 0 | 0 | 0 | 108.7 | F1104 | I1102-F1104 HydrophobicContact CG2-CD2 3.88Å; I1102-F1104 HydrophobicContact CG2-CE2 3.56Å; I1102-F1104 HydrophobicContact CG2-CZ 4.45Å | ||
| 1103 | H | 19 | Very low | 21.1 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 121.5 | 174.7 | -117.5 | -94.8 | 0 | 0 | 0 | 109.8 | P1101 | P1101-H1103 PolarHBondContact O-N 3.41Š| ||
| 1104 | F | 16.8 | Very low | 21.3 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -109.8 | 113.3 | 160.6 | -80.1 | -82 | 0 | 0 | 0 | 108.8 | I1102 | I1102-F1104 HydrophobicContact CG2-CD2 3.88Å; I1102-F1104 HydrophobicContact CG2-CE2 3.56Å; I1102-F1104 HydrophobicContact CG2-CZ 4.45Å | ||
| 1105 | T | 17.7 | Very low | 21.4 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -132.4 | 113.9 | 170.8 | 32.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1106 | I | 19.3 | Very low | 21.6 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -136.2 | 86.3 | 167.3 | -57.5 | 177.1 | 0 | 0 | 0 | 104.6 | ||||
| 1107 | R | 19 | Very low | 21.7 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | 57.5 | 94.5 | 99.8 | -113.1 | -176.3 | -171.3 | 166.8 | 3.6 | 113.8 | |||||
| 1108 | D | 19.7 | Very low | 21.9 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 92% | 0.92 | 80% | 0.799 | S | S | * | * | trans | -61.7 | 126.2 | 160.3 | -68.4 | -50.6 | 0 | 0 | 0 | 110.5 | ||||
| 1109 | S | 24.7 | Very low | 21.9 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -119 | 109.5 | 167.5 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1110 | S | 21.8 | Very low | 22 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -62.4 | 159.2 | 170 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1111 | A | 23.9 | Very low | 22.1 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 101.8 | 133.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1112 | G | 27 | Very low | 22.2 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 136 | 65.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1113 | N | 22.7 | Very low | 22.4 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | 42 | 107.2 | 92.8 | -92.8 | -0.2 | 0 | 0 | 0 | 116.1 | |||||
| 1114 | S | 26.8 | Very low | 22.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -163 | 108.7 | 134.9 | 61 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1115 | T | 22.2 | Very low | 22.9 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -77 | 139.5 | 165.8 | 46.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1116 | S | 26.4 | Very low | 23.1 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -175.6 | 120.6 | 145.1 | 54.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1117 | H | 24.1 | Very low | 23.2 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | 71.3 | 109.7 | 128.4 | -79.5 | -67.6 | 0 | 0 | 0 | 121.9 | |||||
| 1118 | I | 24.5 | Very low | 23.4 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | 151.6 | 128.5 | 111.9 | -81.8 | 147 | 0 | 0 | 0 | 111.6 | |||||
| 1119 | S | 22.3 | Very low | 23.6 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 162 | -176 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1120 | S | 21.9 | Very low | 23.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 118.8 | 143.2 | 66.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1121 | R | 24.3 | Very low | 23.6 | Very low | 227 Ų | 227 | 132.8 Ų | 132.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -175.2 | 131.7 | 114.2 | -94.4 | 177.4 | -138.6 | -162.4 | 6.1 | 110.2 | |||||
| 1122 | Y | 23.1 | Very low | 23.6 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 26.3 | 145.2 | 134.4 | -69.2 | -92.9 | 0 | 0 | 0 | 118.9 | ||||
| 1123 | S | 24 | Very low | 23.4 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | 176.4 | 147.7 | -1.9 | 41.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1124 | E | 21.4 | Very low | 23.4 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | 17.3 | 124.2 | 150.7 | -61.2 | 175.1 | 168.1 | 0 | 0 | 119.8 | ||||
| 1125 | S | 23.8 | Very low | 23.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 172.4 | 118.1 | 113.7 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1126 | S | 21.6 | Very low | 23.3 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 47.8 | 127.1 | 132 | 63 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1127 | T | 22.4 | Very low | 23 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 80.9 | 113.7 | 130.1 | 53.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1128 | S | 23.2 | Very low | 23 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 101 | 121.3 | 123.6 | 74.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1129 | N | 22.9 | Very low | 22.9 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 73.6 | 117.3 | 137.9 | -79.9 | -5.9 | 0 | 0 | 0 | 120.5 | ||||
| 1130 | N | 23.1 | Very low | 22.9 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | trans | 61.9 | 102.7 | 131.9 | -62.3 | -12.9 | 0 | 0 | 0 | 116.3 | ||||
| 1131 | N | 24.5 | Very low | 23 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 173.4 | 136.9 | 104.3 | -89 | -32.7 | 0 | 0 | 0 | 111.2 | |||||
| 1132 | N | 23.8 | Very low | 23 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | 56.6 | 116.5 | 135.6 | -60.6 | -23.4 | 0 | 0 | 0 | 119.9 | ||||
| 1133 | N | 21.8 | Very low | 23.1 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 47.2 | 104.3 | 123.4 | -62.2 | -15.4 | 0 | 0 | 0 | 117 | |||||
| 1134 | S | 23.6 | Very low | 23 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | -179.5 | 123.2 | 124.9 | 35.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1135 | H | 22.5 | Very low | 23.2 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | 65.6 | 147.9 | 133.8 | -70.1 | -68 | 0 | 0 | 0 | 122.5 | ||||
| 1136 | V | 23.5 | Very low | 23.4 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 89.9 | 89.1 | 160.5 | -161.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1137 | V | 21.5 | Very low | 23.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | 73.2 | 129.3 | 78.1 | 175.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1138 | S | 22.6 | Very low | 24 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | 84.6 | 119.1 | 157.6 | 70.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1139 | G | 23.7 | Very low | 24.3 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | 172 | 62.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1141 | G1139-S1141 PolarHBondContact O-N 2.76Š| ||
| 1140 | S | 22.4 | Very low | 24.5 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -50.1 | 125 | 169.6 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1141 | S | 24.1 | Very low | 24.8 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | trans | -148.1 | 106.5 | 147.5 | 53 | 0 | 0 | 0 | 0 | 110.1 | G1139 Y1143 | G1139-S1141 PolarHBondContact O-N 2.76Å; S1141-Y1143 PolarHBondContact O-N 3.2Å | ||
| 1142 | H | 23 | Very low | 25.1 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -60.1 | 109.8 | 167.5 | -75 | -98 | 0 | 0 | 0 | 109.4 | ||||
| 1143 | Y | 24.6 | Very low | 25.3 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -102.3 | 90.9 | 158.9 | -77.2 | -81.4 | 0 | 0 | 0 | 108.3 | S1141 L1145 | S1141-Y1143 PolarHBondContact O-N 3.2Å; Y1143-L1145 VanDerWaalsContact C-N 3.29Å; Y1143-L1145 PolarHBondContact O-N 3.32Å | ||
| 1144 | F | 22.8 | Very low | 25.6 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -61.3 | 95.6 | 156.5 | -90.7 | -92.6 | 0 | 0 | 0 | 107.1 | S1146 | F1144-S1146 VanDerWaalsContact C-N 3.33Å; F1144-S1146 PolarHBondContact O-N 2.76Å | ||
| 1145 | L | 24.7 | Very low | 25.8 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -72.4 | 94.3 | 168.9 | -80.8 | 158.7 | 0 | 0 | 0 | 107.5 | Y1143 | Y1143-L1145 VanDerWaalsContact C-N 3.29Å; Y1143-L1145 PolarHBondContact O-N 3.32Å | ||
| 1146 | S | 28.3 | Very low | 26 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | trans | -59.2 | 139.7 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | F1144 R1148 | F1144-S1146 VanDerWaalsContact C-N 3.33Å; F1144-S1146 PolarHBondContact O-N 2.76Å; S1146-R1148 PolarHBondContact O-N 2.82Å | ||
| 1147 | E | 27.7 | Very low | 26 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.9 | -17.8 | 174.4 | -88.4 | 173.2 | 135.3 | 0 | 0 | 115.7 | L1149 A1150 L1151 | E1147-L1149 PolarHBondContact O-N 3.31Å; E1147-A1150 PolarHBondContact O-N 3.38Å; E1147-L1151 PolarHBondContact O-N 2.75Å |
| 1148 | R | 30.4 | Very low | 26.3 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -64.2 | -33.9 | -173.1 | -159.4 | 171.4 | -175.7 | 172.7 | 1.3 | 114 | S1146 | S1146-R1148 PolarHBondContact O-N 2.82Å |
| 1149 | L | 28.7 | Very low | 26.3 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -85.2 | -28 | 178.5 | -133.7 | 98.5 | 0 | 0 | 0 | 113 | E1147 L1151 E1152 M1153 | E1147-L1149 PolarHBondContact O-N 3.31Å; L1149-L1151 PolarHBondContact O-N 3.47Å; L1149-E1152 PolarHBondContact O-N 2.88Å; L1149-M1153 WeakPolarHBondContact O-CG 3.4Å; L1149-M1153 PolarHBondContact O-N 2.96Å |
| 1150 | A | 27.8 | Very low | 26.3 | Very low | 67 Ų | 67 | 141 Ų | 141 | 55% | 0.554 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.2 | -32.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1147 | E1147-A1150 PolarHBondContact O-N 3.38Å |
| 1151 | L | 28.7 | Very low | 26.1 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 59% | 0.592 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.3 | -29.2 | 175.2 | -87.5 | 151.4 | 0 | 0 | 0 | 113.6 | E1147 L1149 M1153 L1154 | E1147-L1151 PolarHBondContact O-N 2.75Å; L1149-L1151 PolarHBondContact O-N 3.47Å; L1151-M1153 VanDerWaalsContact C-N 3.28Å; L1151-M1153 PolarHBondContact O-N 2.99Å; L1151-L1154 PolarHBondContact O-N 2.78Å |
| 1152 | E | 31.2 | Very low | 26 | Very low | 119 Ų | 119 | 146 Ų | 146 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -72 | -22.8 | 172.5 | -83 | -176.6 | 170.8 | 0 | 0 | 112.7 | L1149 L1154 | L1149-E1152 PolarHBondContact O-N 2.88Å; E1152-L1154 VanDerWaalsContact C-N 3.32Å; E1152-L1154 PolarHBondContact O-N 2.7Å |
| 1153 | M | 28.2 | Very low | 25.8 | Very low | 144 Ų | 144 | 144 Ų | 144 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -18.1 | 175.7 | -68.1 | -162.1 | 77 | 0 | 0 | 114.2 | L1149 L1151 | L1149-M1153 WeakPolarHBondContact O-CG 3.4Å; L1149-M1153 PolarHBondContact O-N 2.96Å; L1151-M1153 VanDerWaalsContact C-N 3.28Å; L1151-M1153 PolarHBondContact O-N 2.99Å |
| 1154 | L | 28.2 | Very low | 25.6 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -10.7 | 178 | -85.5 | 160.7 | 0 | 0 | 0 | 114 | L1151 E1152 | L1151-L1154 PolarHBondContact O-N 2.78Å; E1152-L1154 VanDerWaalsContact C-N 3.32Å; E1152-L1154 PolarHBondContact O-N 2.7Å |
| 1155 | N | 27.2 | Very low | 25.6 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -104.9 | 4 | -179 | -83.1 | -10.4 | 0 | 0 | 0 | 114.6 | ||
| 1156 | N | 26.1 | Very low | 25.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -103.3 | 84.3 | 174.4 | -76.8 | -31.2 | 0 | 0 | 0 | 110.1 | N1158 | N1156-N1158 PolarHBondContact O-N 3.45Š| ||
| 1157 | E | 24.5 | Very low | 24.9 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | trans | -62 | 78.5 | 155.1 | -69.6 | -175.1 | 170 | 0 | 0 | 108.7 | ||||
| 1158 | N | 26.8 | Very low | 24.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | -161.4 | 106.3 | 163 | -91.8 | -39.6 | 0 | 0 | 0 | 111.1 | N1156 | N1156-N1158 PolarHBondContact O-N 3.45Š| ||
| 1159 | I | 23.9 | Very low | 24 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | 55.8 | 96.6 | 141.3 | -46.7 | 170.8 | 0 | 0 | 0 | 116.1 | ||||
| 1160 | F | 22.4 | Very low | 23.7 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | -122 | 82.8 | 143 | -85.8 | -80.1 | 0 | 0 | 0 | 109.2 | F1162 | F1160-F1162 HydrophobicContact CB-CD2 4.49Å; F1160-F1162 HydrophobicContact CD1-CE2 4.1Å; F1160-F1162 PolarHBondContact O-N 3.22Å; F1160-F1162 VanDerWaalsContact O-N 3.09Å | ||
| 1161 | N | 19.8 | Very low | 23.4 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -65.7 | 96.6 | 158.7 | -90.8 | -19.1 | 0 | 0 | 0 | 108.1 | T1163 | N1161-T1163 PolarHBondContact O-N 2.9Š| ||
| 1162 | F | 20.9 | Very low | 23 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 78.3 | 157.3 | -90.6 | -81.5 | 0 | 0 | 0 | 108.7 | F1160 | F1160-F1162 HydrophobicContact CB-CD2 4.49Å; F1160-F1162 HydrophobicContact CD1-CE2 4.1Å; F1160-F1162 PolarHBondContact O-N 3.22Å; F1160-F1162 VanDerWaalsContact O-N 3.09Å | ||
| 1163 | T | 19.7 | Very low | 22.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -88.6 | 114.1 | 153.9 | 48.4 | 0 | 0 | 0 | 0 | 107.8 | N1161 | N1161-T1163 PolarHBondContact O-N 2.9Š| ||
| 1164 | G | 19 | Very low | 22.5 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 116.6 | 97.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1165 | I | 23 | Very low | 22.4 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | trans | -150 | 100 | 136.4 | -82.3 | 145 | 0 | 0 | 0 | 102.7 | ||||
| 1166 | G | 19.4 | Very low | 22.3 | Very low | 56 Ų | 56 | 134.2 Ų | 134.2 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | 93.2 | 78.1 | 94.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y1168 | G1166-Y1168 PolarHBondContact O-N 2.93Š| |||
| 1167 | M | 18.8 | Very low | 22 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | 41 | 75.6 | 95.6 | -66.3 | -97.8 | 74.2 | 0 | 0 | 113 | |||||
| 1168 | Y | 20.1 | Very low | 21.9 | Very low | 232 Ų | 232 | 135 Ų | 135 | 91% | 0.91 | 77% | 0.766 | S | S | * | * | trans | -100.5 | 89.1 | 145.8 | -97 | -86.6 | 0 | 0 | 0 | 108.1 | G1166 | G1166-Y1168 PolarHBondContact O-N 2.93Š| ||
| 1169 | S | 19.7 | Very low | 21.6 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 109.4 | 158.5 | 51.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1170 | G | 22 | Very low | 21.6 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -136.7 | 107.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1171 | G | 21.2 | Very low | 21.6 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 54.9 | 105.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1172 | S | 21.4 | Very low | 21.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | 86.5 | 134 | 78.3 | 170.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1173 | S | 24.9 | Very low | 22.1 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 72.6 | 93.8 | 167.6 | 53.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1174 | N | 22.6 | Very low | 22.2 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 26.7 | 103.5 | 122.1 | -69 | -3.9 | 0 | 0 | 0 | 116.3 | |||||
| 1175 | D | 27.5 | Very low | 22.5 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | -146.3 | 147.9 | 129.8 | -93.7 | -34.2 | 0 | 0 | 0 | 109.6 | |||||
| 1176 | N | 24.4 | Very low | 22.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -63.4 | 146.3 | -154.2 | -68.3 | -56.4 | 0 | 0 | 0 | 115.4 | L1178 | N1176-L1178 PolarHBondContact O-N 3.47Š| ||
| 1177 | F | 20.3 | Very low | 22.8 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -44.2 | 106.1 | 155.8 | -86.8 | -101.9 | 0 | 0 | 0 | 111.2 | ||||
| 1178 | L | 22.4 | Very low | 23.3 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -135.7 | 81.9 | 152.1 | -78.6 | 174.7 | 0 | 0 | 0 | 107.5 | N1176 Y1180 | N1176-L1178 PolarHBondContact O-N 3.47Å; L1178-Y1180 VanDerWaalsContact C-N 3.27Å; L1178-Y1180 HydrophobicContact CB-CD2 4.46Å; L1178-Y1180 PolarHBondContact O-N 3.32Å | ||
| 1179 | T | 21.6 | Very low | 23.4 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -59.5 | 94.5 | 156.5 | 39.2 | 0 | 0 | 0 | 0 | 107.8 | N1181 | T1179-N1181 PolarHBondContact O-N 3.14Š| ||
| 1180 | Y | 22.5 | Very low | 23.7 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -69.4 | 79 | 158 | -90.5 | -88.5 | 0 | 0 | 0 | 107.5 | L1178 | L1178-Y1180 VanDerWaalsContact C-N 3.27Å; L1178-Y1180 HydrophobicContact CB-CD2 4.46Å; L1178-Y1180 PolarHBondContact O-N 3.32Å | ||
| 1181 | N | 22.8 | Very low | 23.8 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.3 | 150.7 | -82.3 | -24.1 | 0 | 0 | 0 | 106 | T1179 | T1179-N1181 PolarHBondContact O-N 3.14Š|
| 1182 | P | 24.7 | Very low | 24 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.2 | 170.5 | 23.3 | -29.9 | 0 | 0 | 0 | 108.5 | ||
| 1183 | P | 25.6 | Very low | 24.2 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.1 | -169.2 | 25.4 | -32.2 | 0 | 0 | 0 | 111.4 | A1185 | P1183-A1185 PolarHBondContact O-N 3.48Š|
| 1184 | P | 23.3 | Very low | 24.2 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 112.6 | 167.3 | 27.6 | -29.4 | 0 | 0 | 0 | 107.7 | T1186 | P1184-T1186 PolarHBondContact O-N 3.41Š| ||
| 1185 | A | 24.6 | Very low | 24.3 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -62.3 | 112.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P1183 | P1183-A1185 PolarHBondContact O-N 3.48Š| ||
| 1186 | T | 25 | Very low | 24.3 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 137.5 | 173.9 | 37.4 | 0 | 0 | 0 | 0 | 110.5 | P1184 E1188 | P1184-T1186 PolarHBondContact O-N 3.41Å; T1186-E1188 PolarHBondContact O-N 3.2Å | ||
| 1187 | V | 24.1 | Very low | 24.4 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -50.5 | 114 | 162.9 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1188 | E | 28 | Very low | 24.6 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -126.1 | 119.2 | 154.6 | -75.1 | -167.7 | 167.6 | 0 | 0 | 107.6 | T1186 E1190 | T1186-E1188 PolarHBondContact O-N 3.2Å; E1188-E1190 PolarHBondContact O-N 3.29Å | ||
| 1189 | D | 23.5 | Very low | 24.9 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -65.9 | 110.8 | 178.1 | -60.1 | -59.2 | 0 | 0 | 0 | 110.2 | ||||
| 1190 | E | 26.4 | Very low | 25 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -128.6 | 97 | 150.6 | -80.4 | -166.2 | 167.7 | 0 | 0 | 109.4 | E1188 N1192 | E1188-E1190 PolarHBondContact O-N 3.29Å; E1190-N1192 PolarHBondContact O-N 3.31Å | ||
| 1191 | I | 23.3 | Very low | 25.2 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -50.9 | 113 | 161.8 | -64.4 | 157.9 | 0 | 0 | 0 | 108.3 | ||||
| 1192 | N | 25.9 | Very low | 25.3 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -139.6 | 104.6 | 141.3 | -86.7 | -38.7 | 0 | 0 | 0 | 106.5 | E1190 D1194 | E1190-N1192 PolarHBondContact O-N 3.31Å; N1192-D1194 PolarHBondContact O-N 3.37Å | ||
| 1193 | D | 24.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -50.9 | 125.8 | 164.5 | -62 | -57.7 | 0 | 0 | 0 | 109.6 | ||||
| 1194 | D | 25.4 | Very low | 25.2 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -168.3 | 68.7 | 142.7 | -84.1 | -24.7 | 0 | 0 | 0 | 106.1 | N1192 | N1192-D1194 PolarHBondContact O-N 3.37Š| ||
| 1195 | N | 24.5 | Very low | 25.2 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -85.3 | 103.4 | 159.4 | -70.6 | -50.2 | 0 | 0 | 0 | 106.3 | ||||
| 1196 | D | 27.4 | Very low | 25.2 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -121.9 | 93.6 | 158.6 | -86.1 | -26.8 | 0 | 0 | 0 | 107.5 | ||||
| 1197 | D | 26.2 | Very low | 25.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 36.9 | 121.7 | 140.1 | -63 | -28.3 | 0 | 0 | 0 | 121.7 | ||||
| 1198 | D | 25.9 | Very low | 25.2 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -48.3 | 146.2 | 153.7 | -62.2 | -67.1 | 0 | 0 | 0 | 114.3 | ||||
| 1199 | D | 26.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | 156.3 | 74.7 | 132.2 | -81.3 | -26 | 0 | 0 | 0 | 112.3 | V1201 | D1199-V1201 PolarHBondContact O-N 2.84Å; D1199-V1201 VanDerWaalsContact O-N 3.08Å | ||
| 1200 | D | 24.3 | Very low | 25.2 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 97% | 0.968 | 80% | 0.795 | S | S | * | * | trans | -82.5 | 69.7 | 160.2 | -96.3 | -24.5 | 0 | 0 | 0 | 109.7 | ||||
| 1201 | V | 26.3 | Very low | 25.3 | Very low | 105 Ų | 105 | 146 Ų | 146 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -105.9 | 99.9 | 160.7 | 179.8 | 0 | 0 | 0 | 0 | 108 | D1199 H1203 | D1199-V1201 PolarHBondContact O-N 2.84Å; D1199-V1201 VanDerWaalsContact O-N 3.08Å; V1201-H1203 PolarHBondContact O-N 2.78Å; V1201-H1203 PolarHBondContact O-ND1 3.42Å | ||
| 1202 | D | 24.8 | Very low | 25.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 4.5 | 85.1 | 162.3 | -74.7 | -34.9 | 0 | 0 | 0 | 114.5 | ||||
| 1203 | H | 24.5 | Very low | 25.4 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -114.1 | 101.6 | 161.5 | -89.8 | 51.7 | 0 | 0 | 0 | 109.2 | V1201 G1205 | V1201-H1203 PolarHBondContact O-N 2.78Å; V1201-H1203 PolarHBondContact O-ND1 3.42Å; H1203-G1205 PolarHBondContact O-N 3.23Å | ||
| 1204 | D | 24 | Very low | 25.5 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -60.6 | 94.5 | 164.8 | -71.6 | -47.5 | 0 | 0 | 0 | 109.3 | ||||
| 1205 | G | 24.3 | Very low | 25.4 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -111.8 | 123.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | H1203 | H1203-G1205 PolarHBondContact O-N 3.23Š| ||
| 1206 | V | 24.9 | Very low | 25.5 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | trans | -91.1 | 137.2 | -175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1207 | G | 22.2 | Very low | 25.4 | Very low | 61 Ų | 61 | 144.3 Ų | 144.3 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 112.7 | 110.1 | 147 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1208 | D | 26.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -163.3 | 110.3 | 131.3 | -94.8 | -15.7 | 0 | 0 | 0 | 110.1 | ||||
| 1209 | D | 26.7 | Very low | 25.1 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -1.1 | 140.3 | 157.1 | -58.8 | -21.7 | 0 | 0 | 0 | 123.9 | ||||
| 1210 | D | 25.3 | Very low | 25 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | 62.2 | 107.6 | 134.6 | -60.4 | -15.8 | 0 | 0 | 0 | 121.3 | ||||
| 1211 | Y | 27.8 | Very low | 24.9 | Very low | 241 Ų | 241 | 143.2 Ų | 143.2 | 95% | 0.945 | 79% | 0.79 | S | S | * | * | -149.2 | 121.5 | 117.6 | -87.7 | -72.1 | 0 | 0 | 0 | 110.2 | |||||
| 1212 | D | 24.2 | Very low | 24.8 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -54.5 | 145.6 | 167.7 | -69.2 | -54.4 | 0 | 0 | 0 | 112.8 | ||||
| 1213 | N | 27.6 | Very low | 24.8 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | -177.5 | 114.5 | 127.4 | -89.7 | -36.1 | 0 | 0 | 0 | 111.3 | |||||
| 1214 | D | 25.4 | Very low | 24.9 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 114.2 | 133.1 | -58.2 | -16.1 | 0 | 0 | 0 | 121.9 | ||||
| 1215 | D | 25.2 | Very low | 25.1 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | 68.9 | 87.6 | 129.7 | -64.1 | -18 | 0 | 0 | 0 | 119.5 | |||||
| 1216 | S | 24.6 | Very low | 25.7 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -88.6 | 121.2 | 154.7 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1217 | D | 25.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | -124.3 | 96.1 | 160.7 | -116.1 | -6.8 | 0 | 0 | 0 | 107.8 | ||||
| 1218 | F | 23 | Very low | 27.8 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | trans | -153 | 104.3 | 158.9 | -96.1 | -71.5 | 0 | 0 | 0 | 110.1 | ||||
| 1219 | S | 23.1 | Very low | 29 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | trans | -93.2 | 153.8 | 166.2 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1220 | D | 25.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 121 Ų | 121 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | trans | 105.9 | 123.7 | 161.4 | -59.1 | -22.3 | 0 | 0 | 0 | 118.8 | ||||
| 1221 | I | 22.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | trans | -113.5 | 126 | -150.5 | -67.3 | 161.8 | 0 | 0 | 0 | 107.9 | ||||
| 1222 | H | 23.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 109.1 Ų | 109.1 | 69% | 0.69 | 60% | 0.6 | S | S | * | * | trans | -142.9 | 153.5 | 169.1 | -83.4 | -61.8 | 0 | 0 | 0 | 114.2 | ||||
| 1223 | C | 25.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 104.4 Ų | 104.4 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | -76.9 | 139.6 | -153.1 | -68.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1224 | I | 25.1 | Very low | 34.4 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | trans | -87.1 | 125.1 | 178.8 | -56.8 | 171.4 | 0 | 0 | 0 | 112.3 | V442 | V442-I1224 HydrophobicContact CB-CB 4.49Å; V442-I1224 HydrophobicContact CB-CD1 3.9Å; V442-I1224 HydrophobicContact CB-CG1 3.6Å; V442-I1224 HydrophobicContact CB-CG2 4.34Å; V442-I1224 HydrophobicContact CG1-CB 4.47Å; V442-I1224 HydrophobicContact CG1-CD1 3.18Å; V442-I1224 HydrophobicContact CG1-CG1 3.18Å; V442-I1224 HydrophobicContact CG2-CB 4.15Å; V442-I1224 HydrophobicContact CG2-CD1 3.71Å; V442-I1224 HydrophobicContact CG2-CG1 3.63Å; V442-I1224 HydrophobicContact CG2-CG2 3.52Å | ||
| 1225 | P | 28.3 | Very low | 35.3 | Very low | 95 Ų | 95 | 99.1 Ų | 99.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | trans | -88.7 | 115.5 | 160.6 | 25.3 | -15.2 | 0 | 0 | 0 | 111.3 | I1227 | P1225-I1227 PolarHBondContact O-N 3.06Š| ||
| 1226 | N | 37.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 98.9 Ų | 98.9 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 18.9 | 84.1 | 160.8 | -73.1 | -10 | 0 | 0 | 0 | 118.3 | ||
| 1227 | I | 43.4 | Very low | 38.3 | Very low | 47 Ų | 47 | 95.4 Ų | 95.4 | 24% | 0.241 | 52% | 0.523 | C | S | . | . | trans | -142.7 | 93.2 | 156.7 | -57.8 | 179.3 | 0 | 0 | 0 | 108.5 | Y503 P1225 | Y503-I1227 HydrophobicContact CE1-CG2 4.35Å; P1225-I1227 PolarHBondContact O-N 3.06Å | ||
| 1228 | G | 46.9 | Very low | 40.2 | Very low | 31 Ų | 31 | 90.5 Ų | 90.5 | 32% | 0.32 | 50% | 0.499 | S | S | . | . | trans | 71.2 | 156.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | H502 | H502-G1228 CarbonylContact O-C 3.51Å; H502-G1228 WeakPolarHBondContact O-CA 3.39Å | ||
| 1229 | V | 52.1 | Low | 42.6 | Very low | 25 Ų | 25 | 82.1 Ų | 82.1 | 15% | 0.152 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.6 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | L501 H502 A537 P576 | L501-V1229 WeakPolarHBondContact CA-O 3.33Å; H502-V1229 PolarHBondContact N-O 2.89Å; H502-V1229 PolarHBondContact O-N 2.89Å; A537-V1229 HydrophobicContact CB-CB 4.45Å; A537-V1229 HydrophobicContact CB-CG2 3.86Å; P576-V1229 HydrophobicContact CB-CG1 4.13Å; P576-V1229 HydrophobicContact CG-CB 3.99Å; P576-V1229 HydrophobicContact CG-CG1 3.71Å |
| 1230 | L | 50.9 | Low | 44.7 | Very low | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.5 | 171 | -71.8 | 164 | 0 | 0 | 0 | 108.9 | L435 F439 L501 | L435-L1230 HydrophobicContact CD2-CD2 3.32Å; F439-L1230 HydrophobicContact CD1-CD1 4.24Å; F439-L1230 HydrophobicContact CE1-CD1 3.42Å; F439-L1230 VanDerWaalsContact CE1-CD1 3.42Å; F439-L1230 HydrophobicContact CE2-CD1 4.27Å; F439-L1230 HydrophobicContact CZ-CD1 3.43Å; F439-L1230 VanDerWaalsContact CZ-CD1 3.43Å; F439-L1230 HydrophobicContact CZ-CD2 4.29Å; F439-L1230 HydrophobicContact CZ-CG 4.47Å; L501-L1230 HydrophobicContact CB-CD2 4.21Å; L501-L1230 HydrophobicContact CD1-CD2 3.55Å; L501-L1230 HydrophobicContact CD1-CG 3.65Å; L501-L1230 HydrophobicContact CG-CD2 4.45Å |
| 1231 | S | 51.2 | Low | 46.8 | Very low | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.028 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.2 | 172 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | Q500 | Q500-S1231 PolarHBondContact N-O 2.93Å; Q500-S1231 VanDerWaalsContact N-O 3.09Å; Q500-S1231 PolarHBondContact O-N 3.08Å; Q500-S1231 PolarHBondContact O-OG 2.74Å |
| 1232 | K | 48.5 | Very low | 49.4 | Very low | 114 Ų | 114 | 67.3 Ų | 67.3 | 50% | 0.496 | 38% | 0.381 | S | S | . | . | trans | -75.8 | 136.7 | 172.2 | -167.1 | 178.8 | 178.7 | -174.2 | 0 | 108.7 | T1234 | K1232-T1234 PolarHBondContact O-N 3.25Š| ||
| 1233 | G | 48.8 | Very low | 51.9 | Low | 41 Ų | 41 | 60.4 Ų | 60.4 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 11.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | S498 | S498-G1233 WeakPolarHBondContact O-CA 3.34Å; S498-G1233 PolarHBondContact O-N 2.86Å; S498-G1233 VanDerWaalsContact O-N 3.13Å |
| 1234 | T | 46.9 | Very low | 54.4 | Low | 133 Ų | 133 | 55.1 Ų | 55.1 | 82% | 0.816 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.3 | 178 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | K1232 | K1232-T1234 PolarHBondContact O-N 3.25Š|
| 1235 | E | 43.7 | Very low | 56.9 | Low | 31 Ų | 31 | 51.5 Ų | 51.5 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -93.1 | 123 | 178.9 | -70.6 | -171.4 | 168.6 | 0 | 0 | 112.8 | R577 L579 L1237 | R577-E1235 HydrophobicContact CB-CB 3.78Å; R577-E1235 HydrophobicContact CB-CG 4.12Å; R577-E1235 WeakPolarHBondContact CB-OE2 3.48Å; R577-E1235 PolarHBondContact N-OE2 3.17Å; R577-E1235 VanDerWaalsContact N-OE2 3.16Å; L579-E1235 WeakPolarHBondContact CA-OE1 3.48Å; L579-E1235 WeakPolarHBondContact CD2-OE1 3.26Å; L579-E1235 WeakPolarHBondContact CG-OE1 3.18Å; L579-E1235 PolarHBondContact N-OE1 3.46Å; E1235-L1237 PolarHBondContact O-N 3.22Å; E1235-L1237 VanDerWaalsContact O-N 3.07Å |
| 1236 | K | 53.9 | Low | 59.1 | Low | 154 Ų | 154 | 47 Ų | 47 | 67% | 0.67 | 26% | 0.264 | S | S | * | . | trans | -65.1 | 110.2 | 168.4 | -62.1 | -174.5 | 176.4 | -170.7 | 0 | 109.4 | R577 | R577-K1236 WeakPolarHBondContact CD-O 3.33Å; R577-K1236 WeakPolarHBondContact CG-O 3.31Å; R577-K1236 PolarHBondContact NE-O 3.05Å | ||
| 1237 | L | 58.7 | Low | 60.7 | Low | 46 Ų | 46 | 42.8 Ų | 42.8 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | trans | -53.9 | 141 | 173 | -64.4 | 173.9 | 0 | 0 | 0 | 110.3 | T574 Q575 E1235 | T574-L1237 HydrophobicContact CG2-CB 3.93Å; Q575-L1237 WeakPolarHBondContact O-CD2 3.2Å; E1235-L1237 PolarHBondContact O-N 3.22Å; E1235-L1237 VanDerWaalsContact O-N 3.07Å | ||
| 1238 | V | 64.8 | Low | 61.5 | Low | 54 Ų | 54 | 41 Ų | 41 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.3 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | T574 Q575 R577 | T574-V1238 WeakPolarHBondContact CA-O 3.29Å; Q575-V1238 HydrophobicContact CG-CB 4.44Å; Q575-V1238 PolarHBondContact N-O 2.57Å; Q575-V1238 VanDerWaalsContact N-O 3.12Å; Q575-V1238 PolarHBondContact O-N 3.15Å; R577-V1238 HydrophobicContact CG-CG2 4.02Å |
| 1239 | E | 74 | Confident | 61.9 | Low | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 139.8 | 170.7 | -61.2 | 168.9 | 158.5 | 0 | 0 | 109.2 | S13 V15 F32 N33 S34 T574 | S13-E1239 WeakPolarHBondContact CB-O 3.42Å; V15-E1239 HydrophobicContact CG1-CG 4.22Å; F32-E1239 WeakPolarHBondContact CD1-OE1 3.01Å; F32-E1239 VanDerWaalsContact CE1-OE1 3.31Å; F32-E1239 WeakPolarHBondContact CE1-OE1 3.47Å; N33-E1239 WeakPolarHBondContact CA-OE2 3.29Å; N33-E1239 PolarHBondContact OD1-OE2 3.09Å; N33-E1239 VanDerWaalsContact OD1-OE2 3.11Å; S34-E1239 WeakPolarHBondContact CB-OE2 3.06Å; S34-E1239 PolarHBondContact N-OE1 3.16Å; S34-E1239 PolarHBondContact N-OE2 2.85Å; S34-E1239 PolarHBondContact OG-OE2 3.28Å; T574-E1239 HydrophobicContact CG2-CG 3.84Å |
| 1240 | L | 66.3 | Low | 61.9 | Low | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | trans | -105.5 | 139.1 | -176.7 | -65.5 | 177.9 | 0 | 0 | 0 | 111.5 | S13 R14 G572 G573 Q575 | S13-L1240 VanDerWaalsContact CA-C 3.49Å; S13-L1240 WeakPolarHBondContact CA-O 3.29Å; S13-L1240 WeakPolarHBondContact CB-O 3.49Å; R14-L1240 PolarHBondContact N-O 2.84Å; G572-L1240 WeakPolarHBondContact CA-O 3.44Å; G573-L1240 WeakPolarHBondContact O-CB 3.29Å; G573-L1240 PolarHBondContact O-N 3.16Å; Q575-L1240 HydrophobicContact CB-CD1 4.26Å; Q575-L1240 HydrophobicContact CG-CD1 4.24Å; Q575-L1240 HydrophobicContact CG-CD2 4.19Å; Q575-L1240 HydrophobicContact CG-CG 4.28Å | ||
| 1241 | S | 71.1 | Confident | 61.7 | Low | 50 Ų | 50 | 43.7 Ų | 43.7 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | trans | -87.5 | -6.7 | 163.1 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | A10 P11 F571 | A10-S1241 WeakPolarHBondContact CB-O 3.11Å; P11-S1241 WeakPolarHBondContact O-CA 3.35Å; P11-S1241 WeakPolarHBondContact O-CB 3.32Å; F571-S1241 VanDerWaalsContact CE2-O 3.26Å; F571-S1241 WeakPolarHBondContact CE2-O 3.34Å | ||
| 1242 | D | 76.3 | Confident | 61.3 | Low | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | trans | -66.5 | 142.6 | -171.4 | -72.4 | -16.5 | 0 | 0 | 0 | 114.9 | R6 G572 Y1244 | R6-D1242 IonicContact CZ-OD1 3.4Å; R6-D1242 VanDerWaalsContact CZ-OD1 3.27Å; R6-D1242 IonicContact CZ-OD2 3.45Å; R6-D1242 IonicContact NE-OD1 2.6Å; R6-D1242 PolarHBondContact NE-OD1 3.07Å; R6-D1242 VanDerWaalsContact NE-OD1 3.14Å; R6-D1242 IonicContact NE-OD2 3.73Å; R6-D1242 PolarHBondContact NE-OD2 2.86Å; R6-D1242 IonicContact NH2-OD1 3.4Å; R6-D1242 PolarHBondContact NH2-OD1 3.25Å; R6-D1242 IonicContact NH2-OD2 2.69Å; R6-D1242 PolarHBondContact NH2-OD2 3.43Å; G572-D1242 PolarHBondContact N-O 2.87Å; G572-D1242 VanDerWaalsContact N-O 3.09Å; D1242-Y1244 HydrophobicContact CB-CD2 4.22Å; D1242-Y1244 HydrophobicContact CB-CE2 3.43Å; D1242-Y1244 VanDerWaalsContact CB-CE2 3.43Å; D1242-Y1244 PolarHBondContact OD2-OH 3.08Å | ||
| 1243 | C | 77.1 | Confident | 61.1 | Low | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.4 | 168.3 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | L7 A10 W58 V570 F571 | L7-C1243 HydrophobicContact CB-CB 4.13Å; L7-C1243 HydrophobicContact CD1-CB 4.46Å; L7-C1243 PolarHBondContact N-O 2.88Å; A10-C1243 HydrophobicContact CB-CB 3.78Å; W58-C1243 HydrophobicContact CZ2-CB 4.37Å; V570-C1243 CarbonylContact O-C 3.51Å; V570-C1243 VanDerWaalsContact O-CA 3.31Å; V570-C1243 WeakPolarHBondContact O-CA 3.4Å; F571-C1243 HydrophobicContact CD2-CB 4.03Å |
| 1244 | Y | 77.3 | Confident | 61.1 | Low | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.3 | 178.3 | -64.1 | -98.3 | 0 | 0 | 0 | 109.9 | K5 R6 H533 P535 F569 V570 D1242 | K5-Y1244 CarbonylContact O-C 3.55Å; K5-Y1244 WeakPolarHBondContact O-CA 3.48Å; R6-Y1244 HydrophobicContact CB-CD1 3.93Å; R6-Y1244 HydrophobicContact CB-CE1 3.73Å; R6-Y1244 HydrophobicContact CG-CD1 4.3Å; R6-Y1244 HydrophobicContact CG-CE1 3.87Å; H533-Y1244 HydrophobicContact CB-CE1 4.4Å; P535-Y1244 HydrophobicContact CB-CD1 4.17Å; P535-Y1244 HydrophobicContact CB-CD2 4.32Å; P535-Y1244 HydrophobicContact CB-CE1 4.26Å; P535-Y1244 HydrophobicContact CB-CE2 4.43Å; P535-Y1244 HydrophobicContact CB-CG 4.22Å; P535-Y1244 HydrophobicContact CG-CD1 3.74Å; P535-Y1244 HydrophobicContact CG-CD2 4.46Å; P535-Y1244 HydrophobicContact CG-CE1 4.23Å; P535-Y1244 HydrophobicContact CG-CG 3.89Å; F569-Y1244 CarbonylContact C-O 3.54Å; F569-Y1244 WeakPolarHBondContact CA-O 3.12Å; V570-Y1244 PolarHBondContact N-O 3.45Å; V570-Y1244 PolarHBondContact O-N 3.21Å; D1242-Y1244 HydrophobicContact CB-CD2 4.22Å; D1242-Y1244 HydrophobicContact CB-CE2 3.43Å; D1242-Y1244 VanDerWaalsContact CB-CE2 3.43Å; D1242-Y1244 PolarHBondContact OD2-OH 3.08Å |
| 1245 | T | 77.3 | Confident | 61.1 | Low | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.3 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | W4 K5 L7 V568 | W4-T1245 CarbonylContact C-O 3.52Å; W4-T1245 VanDerWaalsContact CA-O 3.31Å; W4-T1245 WeakPolarHBondContact CA-O 3.35Å; K5-T1245 HydrophobicContact CB-CG2 3.8Å; K5-T1245 HydrophobicContact CD-CG2 4.46Å; K5-T1245 HydrophobicContact CG-CG2 4.41Å; K5-T1245 PolarHBondContact N-O 3.37Å; K5-T1245 PolarHBondContact O-N 3.17Å; L7-T1245 HydrophobicContact CD1-CG2 4.42Å; L7-T1245 HydrophobicContact CD2-CG2 4.05Å; L7-T1245 HydrophobicContact CG-CG2 4.33Å; V568-T1245 CarbonylContact O-C 3.57Å; V568-T1245 VanDerWaalsContact O-CA 3.3Å; V568-T1245 WeakPolarHBondContact O-CA 3.42Å |
| 1246 | F | 74.1 | Confident | 61.1 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.9 | 178 | -174.6 | -109.3 | 0 | 0 | 0 | 110.1 | E2 S3 W4 Y521 R567 V568 F1248 | E2-F1246 HydrophobicContact CB-CE1 4.19Å; E2-F1246 HydrophobicContact CB-CE2 3.6Å; E2-F1246 HydrophobicContact CB-CZ 3.3Å; E2-F1246 VanDerWaalsContact CD-CZ 3.44Å; E2-F1246 HydrophobicContact CG-CE1 3.79Å; E2-F1246 HydrophobicContact CG-CE2 4.15Å; E2-F1246 HydrophobicContact CG-CZ 3.34Å; E2-F1246 WeakPolarHBondContact OE2-CZ 3.26Å; S3-F1246 WeakPolarHBondContact O-CA 3.37Å; W4-F1246 AromaticContact CD1-CD2 3.89Å; W4-F1246 HydrophobicContact CD2-CB 4.03Å; W4-F1246 AromaticContact CD2-CD2 3.77Å; W4-F1246 HydrophobicContact CD2-CD2 3.77Å; W4-F1246 HydrophobicContact CD2-CG 4.39Å; W4-F1246 AromaticContact CE2-CD2 3.47Å; W4-F1246 VanDerWaalsContact CE2-CD2 3.47Å; W4-F1246 HydrophobicContact CE3-CB 3.76Å; W4-F1246 HydrophobicContact CE3-CD2 4.37Å; W4-F1246 HydrophobicContact CG-CD2 4.05Å; W4-F1246 HydrophobicContact CH2-CB 3.68Å; W4-F1246 HydrophobicContact CH2-CD2 4.43Å; W4-F1246 HydrophobicContact CH2-CG 4.3Å; W4-F1246 HydrophobicContact CZ2-CB 3.95Å; W4-F1246 AromaticContact CZ2-CD2 3.84Å; W4-F1246 HydrophobicContact CZ2-CD2 3.84Å; W4-F1246 HydrophobicContact CZ2-CG 4.09Å; W4-F1246 HydrophobicContact CZ3-CB 3.61Å; W4-F1246 AromaticContact NE1-CD2 3.53Å; W4-F1246 AromaticContact NE1-CE2 3.81Å; Y521-F1246 HydrophobicContact CD1-CE2 4.06Å; Y521-F1246 AromaticContact CE1-CE2 3.42Å; Y521-F1246 HydrophobicContact CE1-CE2 3.42Å; Y521-F1246 VanDerWaalsContact CE1-CE2 3.42Å; Y521-F1246 AromaticContact CE1-CZ 3.89Å; Y521-F1246 HydrophobicContact CE1-CZ 3.89Å; R567-F1246 CarbonylContact C-O 3.5Å; R567-F1246 VanDerWaalsContact CA-O 3.23Å; R567-F1246 WeakPolarHBondContact CA-O 3.46Å; V568-F1246 HydrophobicContact CB-CB 3.99Å; V568-F1246 HydrophobicContact CG2-CD1 4.46Å; V568-F1246 PolarHBondContact N-O 3.4Å; V568-F1246 PolarHBondContact O-N 3.03Å; F1246-F1248 HydrophobicContact CD1-CE1 4.47Å; F1246-F1248 HydrophobicContact CD1-CE2 4.31Å; F1246-F1248 HydrophobicContact CD1-CZ 4.26Å; F1246-F1248 HydrophobicContact CE1-CD1 4.23Å; F1246-F1248 AromaticContact CE1-CE1 3.97Å; F1246-F1248 HydrophobicContact CE1-CE1 3.97Å; F1246-F1248 HydrophobicContact CE1-CZ 4.18Å |
| 1247 | N | 71.3 | Confident | 60.8 | Low | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.3 | -178.3 | -56.5 | -61.3 | 0 | 0 | 0 | 111.4 | S3 R567 | S3-N1247 PolarHBondContact O-N 3.31Å; R567-N1247 WeakPolarHBondContact CD-OD1 3.27Å; R567-N1247 WeakPolarHBondContact CG-OD1 3.46Å |
| 1248 | F | 61.3 | Low | 60.1 | Low | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.8 | 169.6 | -65.2 | -86.8 | 0 | 0 | 0 | 110 | W478 Y480 Y485 L545 H565 P566 V568 F1246 T1250 | W478-F1248 AromaticContact NE1-CZ 3.95Å; Y480-F1248 HydrophobicContact CD1-CE1 4.37Å; Y480-F1248 HydrophobicContact CD1-CE2 4.48Å; Y480-F1248 HydrophobicContact CD1-CZ 4.25Å; Y485-F1248 HydrophobicContact CE1-CE1 4.39Å; L545-F1248 HydrophobicContact CD1-CE2 4.13Å; H565-F1248 PolarHBondContact ND1-O 2.79Å; P566-F1248 HydrophobicContact CB-CD2 3.72Å; P566-F1248 HydrophobicContact CB-CE2 4.17Å; P566-F1248 WeakPolarHBondContact O-CD2 3.46Å; V568-F1248 HydrophobicContact CG2-CE2 3.81Å; V568-F1248 HydrophobicContact CG2-CZ 4.13Å; F1246-F1248 HydrophobicContact CD1-CE1 4.47Å; F1246-F1248 HydrophobicContact CD1-CE2 4.31Å; F1246-F1248 HydrophobicContact CD1-CZ 4.26Å; F1246-F1248 HydrophobicContact CE1-CD1 4.23Å; F1246-F1248 AromaticContact CE1-CE1 3.97Å; F1246-F1248 HydrophobicContact CE1-CE1 3.97Å; F1246-F1248 HydrophobicContact CE1-CZ 4.18Å; F1248-T1250 VanDerWaalsContact C-N 3.29Å; F1248-T1250 PolarHBondContact O-N 3.4Å |
| 1249 | D | 54.5 | Low | 59 | Low | 75 Ų | 75 | 46 Ų | 46 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | trans | -78 | -3.3 | -175.7 | -62.5 | -21.7 | 0 | 0 | 0 | 114.7 | M1 | M1-D1249 WeakPolarHBondContact CA-OD2 3.33Å; M1-D1249 WeakPolarHBondContact CB-OD2 3.49Å; M1-D1249 VanDerWaalsContact N-CB 3.28Å; M1-D1249 PolarHBondContact N-OD2 2.89Å; M1-D1249 WeakPolarHBondContact O-CB 3.45Å; M1-D1249 PolarHBondContact O-N 3.12Å | ||
| 1250 | T | 52.3 | Low | 57.5 | Low | 43 Ų | 43 | 45.5 Ų | 45.5 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | trans | -93.9 | 122 | -177.3 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | F1248 | F1248-T1250 VanDerWaalsContact C-N 3.29Å; F1248-T1250 PolarHBondContact O-N 3.4Å | ||
| 1251 | S | 47.1 | Very low | 56.3 | Low | 43 Ų | 43 | 48.7 Ų | 48.7 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | trans | -74 | 154.8 | 170 | 74.5 | 0 | 0 | 0 | 0 | 111.3 | Y1253 E1254 L1255 | S1251-Y1253 PolarHBondContact O-N 3.19Å; S1251-E1254 PolarHBondContact O-N 3.2Å; S1251-E1254 VanDerWaalsContact O-N 3.08Å; S1251-E1254 WeakPolarHBondContact OG-CB 3.39Å; S1251-E1254 PolarHBondContact OG-N 2.85Å; S1251-E1254 VanDerWaalsContact OG-N 3.1Å; S1251-L1255 PolarHBondContact O-N 2.94Å | ||
| 1252 | L | 41.9 | Very low | 54.8 | Low | 108 Ų | 108 | 53 Ų | 53 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -53.9 | -38 | 172.5 | -167.8 | 79.1 | 0 | 0 | 0 | 111.6 | L1255 C1256 | L1252-L1255 PolarHBondContact O-N 3.25Å; L1252-C1256 PolarHBondContact O-N 3.19Å; L1252-C1256 PolarHBondContact O-SG 3.49Å |
| 1253 | Y | 45.3 | Very low | 52.9 | Low | 105 Ų | 105 | 55.9 Ų | 55.9 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.1 | -179.4 | -93.5 | 0 | 0 | 0 | 112 | S1251 C1256 L1257 I1277 D1280 | S1251-Y1253 PolarHBondContact O-N 3.19Å; Y1253-C1256 PolarHBondContact O-N 3.36Å; Y1253-L1257 HydrophobicContact CD1-CD1 3.71Å; Y1253-L1257 HydrophobicContact CE1-CD1 3.35Å; Y1253-L1257 HydrophobicContact CE1-CG 4.39Å; Y1253-L1257 PolarHBondContact O-N 2.96Å; Y1253-I1277 HydrophobicContact CD2-CD1 3.84Å; Y1253-I1277 HydrophobicContact CD2-CG1 4.1Å; Y1253-I1277 HydrophobicContact CE2-CD1 4.08Å; Y1253-I1277 HydrophobicContact CE2-CG1 3.83Å; Y1253-D1280 PolarHBondContact OH-OD2 3.47Å |
| 1254 | E | 48.7 | Very low | 50.9 | Low | 71 Ų | 71 | 59.3 Ų | 59.3 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 179.1 | -152.7 | -175.1 | 163.7 | 0 | 0 | 111.9 | S1251 L1257 R1258 | S1251-E1254 PolarHBondContact O-N 3.2Å; S1251-E1254 VanDerWaalsContact O-N 3.08Å; S1251-E1254 WeakPolarHBondContact OG-CB 3.39Å; S1251-E1254 PolarHBondContact OG-N 2.85Å; S1251-E1254 VanDerWaalsContact OG-N 3.1Å; E1254-L1257 PolarHBondContact O-N 2.75Å; E1254-R1258 VanDerWaalsContact O-CG 3.31Å; E1254-R1258 WeakPolarHBondContact O-CG 3.34Å; E1254-R1258 PolarHBondContact O-N 2.83Å; E1254-R1258 IonicContact OE1-CZ 3.37Å; E1254-R1258 IonicContact OE1-NE 2.75Å; E1254-R1258 IonicContact OE1-NH2 3.43Å; E1254-R1258 PolarHBondContact OE1-NH2 2.63Å |
| 1255 | L | 45.4 | Very low | 49.1 | Very low | 65 Ų | 65 | 68 Ų | 68 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 169.7 | -102.4 | 151 | 0 | 0 | 0 | 111.5 | S1251 L1252 L1257 R1258 S1259 | S1251-L1255 PolarHBondContact O-N 2.94Å; L1252-L1255 PolarHBondContact O-N 3.25Å; L1255-L1257 VanDerWaalsContact C-N 3.31Å; L1255-L1257 PolarHBondContact O-N 3.2Å; L1255-R1258 PolarHBondContact O-N 2.73Å; L1255-S1259 PolarHBondContact O-N 3.31Å; L1255-S1259 PolarHBondContact O-OG 2.99Å |
| 1256 | C | 44.9 | Very low | 47.2 | Very low | 36 Ų | 36 | 73.2 Ų | 73.2 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | L1252 Y1253 S1259 S1260 L1273 | L1252-C1256 PolarHBondContact O-N 3.19Å; L1252-C1256 PolarHBondContact O-SG 3.49Å; Y1253-C1256 PolarHBondContact O-N 3.36Å; C1256-S1259 PolarHBondContact O-OG 3.34Å; C1256-S1259 VanDerWaalsContact O-OG 3.11Å; C1256-S1260 VanDerWaalsContact O-CB 3.25Å; C1256-S1260 WeakPolarHBondContact O-CB 3.46Å; C1256-S1260 PolarHBondContact O-N 3.38Å; C1256-S1260 VanDerWaalsContact O-N 3.07Å; C1256-S1260 PolarHBondContact O-OG 3.36Å; C1256-L1273 HydrophobicContact CB-CD2 4.22Å |
| 1257 | L | 47.3 | Very low | 45.6 | Very low | 56 Ų | 56 | 78.9 Ų | 78.9 | 29% | 0.293 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 174.3 | -84.4 | 164 | 0 | 0 | 0 | 112 | Y1253 E1254 L1255 S1260 S1261 L1281 | Y1253-L1257 HydrophobicContact CD1-CD1 3.71Å; Y1253-L1257 HydrophobicContact CE1-CD1 3.35Å; Y1253-L1257 HydrophobicContact CE1-CG 4.39Å; Y1253-L1257 PolarHBondContact O-N 2.96Å; E1254-L1257 PolarHBondContact O-N 2.75Å; L1255-L1257 VanDerWaalsContact C-N 3.31Å; L1255-L1257 PolarHBondContact O-N 3.2Å; L1257-S1260 PolarHBondContact O-N 3.16Å; L1257-S1261 PolarHBondContact O-N 3Å; L1257-L1281 HydrophobicContact CD2-CD2 3.93Å |
| 1258 | R | 43.6 | Very low | 44.1 | Very low | 129 Ų | 129 | 80.5 Ų | 80.5 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 179.7 | -71.6 | 178.6 | -169.2 | -170.8 | 6.3 | 112.9 | E1254 L1255 S1260 S1261 | E1254-R1258 VanDerWaalsContact O-CG 3.31Å; E1254-R1258 WeakPolarHBondContact O-CG 3.34Å; E1254-R1258 PolarHBondContact O-N 2.83Å; E1254-R1258 IonicContact OE1-CZ 3.37Å; E1254-R1258 IonicContact OE1-NE 2.75Å; E1254-R1258 IonicContact OE1-NH2 3.43Å; E1254-R1258 PolarHBondContact OE1-NH2 2.63Å; L1255-R1258 PolarHBondContact O-N 2.73Å; R1258-S1260 PolarHBondContact O-N 3.32Å; R1258-S1261 PolarHBondContact O-N 2.9Å; R1258-S1261 PolarHBondContact O-OG 3.39Å |
| 1259 | S | 42 | Very low | 43.1 | Very low | 55 Ų | 55 | 81.7 Ų | 81.7 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 172.1 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | L1255 C1256 S1261 D1262 L1263 | L1255-S1259 PolarHBondContact O-N 3.31Å; L1255-S1259 PolarHBondContact O-OG 2.99Å; C1256-S1259 PolarHBondContact O-OG 3.34Å; C1256-S1259 VanDerWaalsContact O-OG 3.11Å; S1259-S1261 PolarHBondContact O-N 3.45Å; S1259-D1262 PolarHBondContact O-N 2.97Å; S1259-L1263 WeakPolarHBondContact O-CB 3.36Å; S1259-L1263 VanDerWaalsContact O-CD1 3.29Å; S1259-L1263 WeakPolarHBondContact O-CD1 3.31Å; S1259-L1263 PolarHBondContact O-N 3.31Å |
| 1260 | S | 42.5 | Very low | 42.4 | Very low | 14 Ų | 14 | 82 Ų | 82 | 10% | 0.098 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72 | -24.7 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | C1256 L1257 R1258 D1262 L1263 A1264 | C1256-S1260 VanDerWaalsContact O-CB 3.25Å; C1256-S1260 WeakPolarHBondContact O-CB 3.46Å; C1256-S1260 PolarHBondContact O-N 3.38Å; C1256-S1260 VanDerWaalsContact O-N 3.07Å; C1256-S1260 PolarHBondContact O-OG 3.36Å; L1257-S1260 PolarHBondContact O-N 3.16Å; R1258-S1260 PolarHBondContact O-N 3.32Å; S1260-D1262 VanDerWaalsContact C-N 3.28Å; S1260-D1262 PolarHBondContact O-N 2.87Å; S1260-L1263 CarbonylContact O-C 3.58Å; S1260-L1263 PolarHBondContact O-N 3.43Å; S1260-A1264 WeakPolarHBondContact O-CA 3.43Å; S1260-A1264 WeakPolarHBondContact O-CB 2.95Å; S1260-A1264 PolarHBondContact O-N 3.31Å |
| 1261 | S | 41.6 | Very low | 42.1 | Very low | 83 Ų | 83 | 88 Ų | 88 | 58% | 0.58 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -33.7 | 172.1 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | L1257 R1258 S1259 | L1257-S1261 PolarHBondContact O-N 3Å; R1258-S1261 PolarHBondContact O-N 2.9Å; R1258-S1261 PolarHBondContact O-OG 3.39Å; S1259-S1261 PolarHBondContact O-N 3.45Å |
| 1262 | D | 40.2 | Very low | 41.8 | Very low | 141 Ų | 141 | 91.1 Ų | 91.1 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78.1 | -31.3 | 173.4 | -66.7 | -22.6 | 0 | 0 | 0 | 111.6 | S1259 S1260 | S1259-D1262 PolarHBondContact O-N 2.97Å; S1260-D1262 VanDerWaalsContact C-N 3.28Å; S1260-D1262 PolarHBondContact O-N 2.87Å |
| 1263 | L | 35.8 | Very low | 41.8 | Very low | 80 Ų | 80 | 87.1 Ų | 87.1 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -93.6 | -5.4 | -177.6 | -85 | 135.6 | 0 | 0 | 0 | 114.9 | S1259 S1260 Q1265 E1266 I1269 | S1259-L1263 WeakPolarHBondContact O-CB 3.36Å; S1259-L1263 VanDerWaalsContact O-CD1 3.29Å; S1259-L1263 WeakPolarHBondContact O-CD1 3.31Å; S1259-L1263 PolarHBondContact O-N 3.31Å; S1260-L1263 CarbonylContact O-C 3.58Å; S1260-L1263 PolarHBondContact O-N 3.43Å; L1263-Q1265 PolarHBondContact O-N 3.07Å; L1263-E1266 PolarHBondContact O-N 3.13Å; L1263-I1269 HydrophobicContact CB-CD1 3.61Å; L1263-I1269 WeakPolarHBondContact O-CD1 3.34Å |
| 1264 | A | 35.6 | Very low | 41.9 | Very low | 76 Ų | 76 | 85.8 Ų | 85.8 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -3.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1260 | S1260-A1264 WeakPolarHBondContact O-CA 3.43Å; S1260-A1264 WeakPolarHBondContact O-CB 2.95Å; S1260-A1264 PolarHBondContact O-N 3.31Å |
| 1265 | Q | 38.5 | Very low | 42 | Very low | 190 Ų | 190 | 86.4 Ų | 86.4 | 89% | 0.888 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.5 | 169 | -67.4 | -172.3 | -5.3 | 0 | 0 | 114 | L1263 | L1263-Q1265 PolarHBondContact O-N 3.07Š|
| 1266 | E | 37.6 | Very low | 42.1 | Very low | 115 Ų | 115 | 87.6 Ų | 87.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | trans | -105.7 | 125.6 | 179.3 | -74.8 | -159.6 | 160.8 | 0 | 0 | 113.9 | L1263 V1268 | L1263-E1266 PolarHBondContact O-N 3.13Å; E1266-V1268 PolarHBondContact O-N 3.3Å; E1266-V1268 VanDerWaalsContact O-N 3.1Å | ||
| 1267 | P | 41.4 | Very low | 42.2 | Very low | 119 Ų | 119 | 86.6 Ų | 86.6 | 77% | 0.773 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -69.6 | -5.8 | -179.7 | 25.4 | -31 | 0 | 0 | 0 | 114.5 | I1269 | P1267-I1269 VanDerWaalsContact C-N 3.31Å; P1267-I1269 PolarHBondContact O-N 2.89Å |
| 1268 | V | 39.5 | Very low | 42.5 | Very low | 79 Ų | 79 | 84.8 Ų | 84.8 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -73.5 | -20.7 | -175.3 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | E1266 S1270 Q1271 I1272 | E1266-V1268 PolarHBondContact O-N 3.3Å; E1266-V1268 VanDerWaalsContact O-N 3.1Å; V1268-S1270 VanDerWaalsContact C-N 3.29Å; V1268-S1270 PolarHBondContact O-N 3.32Å; V1268-Q1271 PolarHBondContact O-N 3.34Å; V1268-I1272 HydrophobicContact CG1-CD1 4.34Å |
| 1269 | I | 38.9 | Very low | 43 | Very low | 33 Ų | 33 | 82.5 Ų | 82.5 | 17% | 0.169 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -65.8 | -27.9 | -171.8 | -60.2 | 174.5 | 0 | 0 | 0 | 113.6 | L1263 P1267 Q1271 I1272 L1273 | L1263-I1269 HydrophobicContact CB-CD1 3.61Å; L1263-I1269 WeakPolarHBondContact O-CD1 3.34Å; P1267-I1269 VanDerWaalsContact C-N 3.31Å; P1267-I1269 PolarHBondContact O-N 2.89Å; I1269-Q1271 PolarHBondContact O-N 3.3Å; I1269-I1272 PolarHBondContact O-N 2.91Å; I1269-I1272 VanDerWaalsContact O-N 3.09Å; I1269-L1273 HydrophobicContact CG2-CD1 3.39Å; I1269-L1273 HydrophobicContact CG2-CG 3.9Å; I1269-L1273 PolarHBondContact O-N 2.92Å |
| 1270 | S | 41.7 | Very low | 43.3 | Very low | 80 Ų | 80 | 83.2 Ų | 83.2 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -60.7 | -15.7 | -178.9 | 65.8 | 0 | 0 | 0 | 0 | 114 | V1268 | V1268-S1270 VanDerWaalsContact C-N 3.29Å; V1268-S1270 PolarHBondContact O-N 3.32Å |
| 1271 | Q | 44.5 | Very low | 43.3 | Very low | 169 Ų | 169 | 84.5 Ų | 84.5 | 79% | 0.79 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -97.8 | -17.5 | 179.6 | -63.2 | -178 | -4.4 | 0 | 0 | 114.1 | V1268 I1269 | V1268-Q1271 PolarHBondContact O-N 3.34Å; I1269-Q1271 PolarHBondContact O-N 3.3Å |
| 1272 | I | 40.7 | Very low | 43.6 | Very low | 109 Ų | 109 | 87.3 Ų | 87.3 | 56% | 0.559 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -33.1 | -170.8 | -57.3 | 173.5 | 0 | 0 | 0 | 111.7 | V1268 I1269 | V1268-I1272 HydrophobicContact CG1-CD1 4.34Å; I1269-I1272 PolarHBondContact O-N 2.91Å; I1269-I1272 VanDerWaalsContact O-N 3.09Å |
| 1273 | L | 42.3 | Very low | 44.1 | Very low | 25 Ų | 25 | 86.9 Ų | 86.9 | 13% | 0.131 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -81.3 | 144 | -178.1 | -71.2 | 172.5 | 0 | 0 | 0 | 111.6 | C1256 I1269 S1275 I1277 V1278 L1281 | C1256-L1273 HydrophobicContact CB-CD2 4.22Å; I1269-L1273 HydrophobicContact CG2-CD1 3.39Å; I1269-L1273 HydrophobicContact CG2-CG 3.9Å; I1269-L1273 PolarHBondContact O-N 2.92Å; L1273-S1275 PolarHBondContact O-N 3.18Å; L1273-I1277 HydrophobicContact CB-CB 4.33Å; L1273-I1277 HydrophobicContact CD1-CG2 4.01Å; L1273-I1277 HydrophobicContact CD2-CD1 4.31Å; L1273-I1277 HydrophobicContact CD2-CG2 4.38Å; L1273-V1278 HydrophobicContact CB-CG2 3.75Å; L1273-L1281 HydrophobicContact CD1-CD1 3.95Å |
| 1274 | P | 48 | Very low | 44.3 | Very low | 76 Ų | 76 | 88.1 Ų | 88.1 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | trans | -49.6 | 139.8 | 167.5 | -24.7 | 32.2 | 0 | 0 | 0 | 111.2 | T1276 I1277 V1278 | P1274-T1276 PolarHBondContact O-N 3.26Å; P1274-I1277 HydrophobicContact CB-CG1 4.34Å; P1274-I1277 HydrophobicContact CG-CD1 4.25Å; P1274-I1277 HydrophobicContact CG-CG1 4.44Å; P1274-I1277 PolarHBondContact O-N 3.49Å; P1274-V1278 PolarHBondContact O-N 3.32Å; P1274-V1278 VanDerWaalsContact O-N 3.14Å | ||
| 1275 | S | 50.6 | Low | 44.5 | Very low | 85 Ų | 85 | 92.9 Ų | 92.9 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.6 | -28.2 | -175.7 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | L1273 V1278 N1279 | L1273-S1275 PolarHBondContact O-N 3.18Å; S1275-V1278 PolarHBondContact O-N 3.26Å; S1275-N1279 VanDerWaalsContact O-CB 3.25Å; S1275-N1279 WeakPolarHBondContact O-CB 3.17Å; S1275-N1279 PolarHBondContact O-N 3.14Å; S1275-N1279 PolarHBondContact O-ND2 3.44Å |
| 1276 | T | 47.3 | Very low | 44.5 | Very low | 89 Ų | 89 | 85.9 Ų | 85.9 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 172.4 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | P1274 V1278 N1279 D1280 | P1274-T1276 PolarHBondContact O-N 3.26Å; T1276-V1278 VanDerWaalsContact C-N 3.34Å; T1276-V1278 PolarHBondContact O-N 3.45Å; T1276-N1279 PolarHBondContact O-N 3.47Å; T1276-D1280 VanDerWaalsContact O-CG 3.25Å; T1276-D1280 PolarHBondContact O-N 3.15Å |
| 1277 | I | 47.6 | Very low | 44.5 | Very low | 15 Ų | 15 | 85.7 Ų | 85.7 | 8% | 0.077 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.2 | -50.7 | -168.4 | 0 | 0 | 0 | 110.2 | Y1253 L1273 P1274 N1279 D1280 L1281 | Y1253-I1277 HydrophobicContact CD2-CD1 3.84Å; Y1253-I1277 HydrophobicContact CD2-CG1 4.1Å; Y1253-I1277 HydrophobicContact CE2-CD1 4.08Å; Y1253-I1277 HydrophobicContact CE2-CG1 3.83Å; L1273-I1277 HydrophobicContact CB-CB 4.33Å; L1273-I1277 HydrophobicContact CD1-CG2 4.01Å; L1273-I1277 HydrophobicContact CD2-CD1 4.31Å; L1273-I1277 HydrophobicContact CD2-CG2 4.38Å; P1274-I1277 HydrophobicContact CB-CG1 4.34Å; P1274-I1277 HydrophobicContact CG-CD1 4.25Å; P1274-I1277 HydrophobicContact CG-CG1 4.44Å; P1274-I1277 PolarHBondContact O-N 3.49Å; I1277-N1279 VanDerWaalsContact C-N 3.34Å; I1277-N1279 PolarHBondContact O-N 2.98Å; I1277-D1280 PolarHBondContact O-N 3.13Å; I1277-L1281 HydrophobicContact CG2-CD1 4.17Å; I1277-L1281 WeakPolarHBondContact O-CB 3.31Å; I1277-L1281 VanDerWaalsContact O-CG 3.31Å; I1277-L1281 WeakPolarHBondContact O-CG 3.14Å; I1277-L1281 PolarHBondContact O-N 3.38Å |
| 1278 | V | 51.8 | Low | 44.3 | Very low | 19 Ų | 19 | 87.3 Ų | 87.3 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | L1273 P1274 S1275 T1276 L1281 K1282 | L1273-V1278 HydrophobicContact CB-CG2 3.75Å; P1274-V1278 PolarHBondContact O-N 3.32Å; P1274-V1278 VanDerWaalsContact O-N 3.14Å; S1275-V1278 PolarHBondContact O-N 3.26Å; T1276-V1278 VanDerWaalsContact C-N 3.34Å; T1276-V1278 PolarHBondContact O-N 3.45Å; V1278-L1281 PolarHBondContact O-N 3.3Å; V1278-K1282 HydrophobicContact CG1-CD 4.47Å; V1278-K1282 WeakPolarHBondContact O-CB 3.44Å; V1278-K1282 WeakPolarHBondContact O-CG 3.22Å; V1278-K1282 PolarHBondContact O-N 2.74Å |
| 1279 | N | 55.1 | Low | 44 | Very low | 81 Ų | 81 | 86.8 Ų | 86.8 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 177.9 | -74.5 | -17.6 | 0 | 0 | 0 | 111.8 | S1275 T1276 I1277 L1281 K1282 H1283 | S1275-N1279 VanDerWaalsContact O-CB 3.25Å; S1275-N1279 WeakPolarHBondContact O-CB 3.17Å; S1275-N1279 PolarHBondContact O-N 3.14Å; S1275-N1279 PolarHBondContact O-ND2 3.44Å; T1276-N1279 PolarHBondContact O-N 3.47Å; I1277-N1279 VanDerWaalsContact C-N 3.34Å; I1277-N1279 PolarHBondContact O-N 2.98Å; N1279-L1281 VanDerWaalsContact C-N 3.35Å; N1279-K1282 PolarHBondContact O-N 2.86Å; N1279-H1283 WeakPolarHBondContact O-CB 3.37Å; N1279-H1283 PolarHBondContact O-CD2 3.37Å; N1279-H1283 PolarHBondContact O-N 3Å |
| 1280 | D | 47.8 | Very low | 43.5 | Very low | 69 Ų | 69 | 94.4 Ų | 94.4 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.7 | -70.1 | -17.2 | 0 | 0 | 0 | 111 | Y1253 T1276 I1277 H1283 L1284 | Y1253-D1280 PolarHBondContact OH-OD2 3.47Å; T1276-D1280 VanDerWaalsContact O-CG 3.25Å; T1276-D1280 PolarHBondContact O-N 3.15Å; I1277-D1280 PolarHBondContact O-N 3.13Å; D1280-H1283 PolarHBondContact O-N 3.06Å; D1280-L1284 WeakPolarHBondContact O-CG 3.35Å; D1280-L1284 PolarHBondContact O-N 2.94Å |
| 1281 | L | 43 | Very low | 43 | Very low | 42 Ų | 42 | 95 Ų | 95 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 173.9 | -75.8 | 169.8 | 0 | 0 | 0 | 111.8 | L1257 L1273 I1277 V1278 N1279 H1283 L1284 Y1285 | L1257-L1281 HydrophobicContact CD2-CD2 3.93Å; L1273-L1281 HydrophobicContact CD1-CD1 3.95Å; I1277-L1281 HydrophobicContact CG2-CD1 4.17Å; I1277-L1281 WeakPolarHBondContact O-CB 3.31Å; I1277-L1281 VanDerWaalsContact O-CG 3.31Å; I1277-L1281 WeakPolarHBondContact O-CG 3.14Å; I1277-L1281 PolarHBondContact O-N 3.38Å; V1278-L1281 PolarHBondContact O-N 3.3Å; N1279-L1281 VanDerWaalsContact C-N 3.35Å; L1281-H1283 VanDerWaalsContact C-N 3.26Å; L1281-H1283 PolarHBondContact O-N 2.8Å; L1281-L1284 PolarHBondContact O-N 3.43Å; L1281-Y1285 HydrophobicContact CD2-CE2 4.35Å; L1281-Y1285 WeakPolarHBondContact O-CD2 3.48Å; L1281-Y1285 PolarHBondContact O-N 2.83Å |
| 1282 | K | 48.4 | Very low | 42.4 | Very low | 142 Ų | 142 | 92.5 Ų | 92.5 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.5 | -36.6 | 174.7 | -80.3 | -180 | 178.8 | 178 | 0 | 112 | V1278 N1279 S1286 | V1278-K1282 HydrophobicContact CG1-CD 4.47Å; V1278-K1282 WeakPolarHBondContact O-CB 3.44Å; V1278-K1282 WeakPolarHBondContact O-CG 3.22Å; V1278-K1282 PolarHBondContact O-N 2.74Å; N1279-K1282 PolarHBondContact O-N 2.86Å; K1282-S1286 PolarHBondContact O-N 3.01Å; K1282-S1286 VanDerWaalsContact O-N 3.13Å |
| 1283 | H | 49.4 | Very low | 41.8 | Very low | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.606 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.8 | -38 | 176 | -93 | -65.2 | 0 | 0 | 0 | 112.8 | N1279 D1280 L1281 | N1279-H1283 WeakPolarHBondContact O-CB 3.37Å; N1279-H1283 PolarHBondContact O-CD2 3.37Å; N1279-H1283 PolarHBondContact O-N 3Å; D1280-H1283 PolarHBondContact O-N 3.06Å; L1281-H1283 VanDerWaalsContact C-N 3.26Å; L1281-H1283 PolarHBondContact O-N 2.8Å |
| 1284 | L | 41.3 | Very low | 41.1 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -33.7 | 178.2 | -78.4 | 161.9 | 0 | 0 | 0 | 113 | D1280 L1281 | D1280-L1284 WeakPolarHBondContact O-CG 3.35Å; D1280-L1284 PolarHBondContact O-N 2.94Å; L1281-L1284 PolarHBondContact O-N 3.43Å |
| 1285 | Y | 40.1 | Very low | 40.3 | Very low | 177 Ų | 177 | 108.2 Ų | 108.2 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -104.5 | 11.5 | -176.3 | -71.7 | -81.9 | 0 | 0 | 0 | 114.8 | L1281 P1287 | L1281-Y1285 HydrophobicContact CD2-CE2 4.35Å; L1281-Y1285 WeakPolarHBondContact O-CD2 3.48Å; L1281-Y1285 PolarHBondContact O-N 2.83Å; Y1285-P1287 WeakPolarHBondContact O-CD 3.46Å |
| 1286 | S | 37.7 | Very low | 39.2 | Very low | 42 Ų | 42 | 114.7 Ų | 114.7 | 29% | 0.294 | 55% | 0.547 | S | S | . | . | trans | -69.2 | 119.2 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | K1282 H1288 I1289 | K1282-S1286 PolarHBondContact O-N 3.01Å; K1282-S1286 VanDerWaalsContact O-N 3.13Å; S1286-H1288 PolarHBondContact O-N 3.01Å; S1286-I1289 PolarHBondContact O-N 2.92Å; S1286-I1289 VanDerWaalsContact O-N 3.09Å | ||
| 1287 | P | 37.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 72% | 0.721 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -19 | -173.7 | 4.5 | -6.2 | 0 | 0 | 0 | 113.5 | Y1285 I1289 | Y1285-P1287 WeakPolarHBondContact O-CD 3.46Å; P1287-I1289 PolarHBondContact O-N 3.2Å |
| 1288 | H | 38.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -18 | 179.2 | -74.8 | -52.9 | 0 | 0 | 0 | 114.7 | S1286 | S1286-H1288 PolarHBondContact O-N 3.01Š|
| 1289 | I | 32.2 | Very low | 36.6 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 35% | 0.349 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -21.1 | -178.8 | -65 | 176.2 | 0 | 0 | 0 | 111.9 | S1286 P1287 S1291 I1292 | S1286-I1289 PolarHBondContact O-N 2.92Å; S1286-I1289 VanDerWaalsContact O-N 3.09Å; P1287-I1289 PolarHBondContact O-N 3.2Å; I1289-S1291 PolarHBondContact O-N 2.82Å; I1289-I1292 PolarHBondContact O-N 2.92Å |
| 1290 | Y | 27.9 | Very low | 35.6 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -22 | 177.4 | -104.8 | -83.4 | 0 | 0 | 0 | 113.6 | ||
| 1291 | S | 31.7 | Very low | 34.9 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -22.9 | 177.6 | 85.3 | 0 | 0 | 0 | 0 | 114.3 | I1289 | I1289-S1291 PolarHBondContact O-N 2.82Š|
| 1292 | I | 32.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -31 | -173.6 | -66.2 | 174.8 | 0 | 0 | 0 | 112.4 | I1289 R1294 S1295 | I1289-I1292 PolarHBondContact O-N 2.92Å; I1292-R1294 VanDerWaalsContact C-N 3.29Å; I1292-R1294 PolarHBondContact O-N 3.08Å; I1292-S1295 PolarHBondContact O-N 3.24Å; I1292-S1295 PolarHBondContact O-OG 3Å |
| 1293 | R | 28.4 | Very low | 33.6 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -74.5 | -11.9 | -175 | -81 | -170.4 | 176.8 | 174.8 | 0.6 | 115.3 | ||
| 1294 | R | 27.4 | Very low | 32.5 | Very low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -82.1 | -4.9 | 175.8 | -104.3 | -172.5 | 179.1 | -179.3 | 1.1 | 115.1 | I1292 | I1292-R1294 VanDerWaalsContact C-N 3.29Å; I1292-R1294 PolarHBondContact O-N 3.08Å |
| 1295 | S | 30.1 | Very low | 31.9 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -109.7 | 6.2 | -177 | 67.7 | 0 | 0 | 0 | 0 | 116.4 | I1292 | I1292-S1295 PolarHBondContact O-N 3.24Å; I1292-S1295 PolarHBondContact O-OG 3Å |
| 1296 | R | 27.3 | Very low | 31.3 | Very low | 221 Ų | 221 | 145.9 Ų | 145.9 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -127.7 | 11.4 | -178.9 | -79.9 | -162.4 | -174.7 | 179.8 | 3.2 | 118 | ||
| 1297 | F | 30.2 | Very low | 30.8 | Very low | 207 Ų | 207 | 154.6 Ų | 154.6 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -129.2 | 84.3 | 162.9 | -77.5 | -80.8 | 0 | 0 | 0 | 108.7 | ||||
| 1298 | G | 25.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 100% | 1.577 | 79% | 0.793 | S | S | * | * | trans | -101.4 | 0 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 1,298 of 1,298 residues in 1548.4 ms
(Link to these results)