| 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 | 35.6 | Very low | 43.5 | Very low | 166 Ų | 166 | 66.4 Ų | 66.4 | 82% | 0.818 | 30% | 0.297 | S | S | * | . | 0 | -75.7 | 0 | -145.9 | 171.1 | -166.1 | 0 | 0 | 113.5 | F3 L4 I5 L1555 | M1-F3 PolarHBondContact O-N 3.35Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-I5 PolarHBondContact O-N 3.15Å; M1-L1555 HydrophobicContact CE-CD2 3.82Å; M1-L1555 HydrophobicContact CG-CD1 4.22Å; M1-L1555 HydrophobicContact CG-CD2 3.47Å; M1-L1555 VanDerWaalsContact CG-CD2 3.47Å; M1-L1555 HydrophobicContact SD-CD2 4.5Å | |||
| 2 | W | 35.6 | Very low | 43.2 | Very low | 149 Ų | 149 | 65.1 Ų | 65.1 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.8 | -29 | -175.4 | -132.4 | 63.1 | 0 | 0 | 0 | 115 | I5 Q6 Q1423 | W2-I5 HydrophobicContact CG-CG2 4.34Å; W2-I5 WeakPolarHBondContact O-CB 3.44Å; W2-I5 WeakPolarHBondContact O-CG2 3.2Å; W2-I5 PolarHBondContact O-N 3.18Å; W2-Q6 PolarHBondContact O-N 3.5Å; W2-Q1423 HydrophobicContact CH2-CG 4.46Å; W2-Q1423 VanDerWaalsContact CH2-NE2 3.3Å; W2-Q1423 HydrophobicContact CZ3-CG 4.35Å |
| 3 | F | 39.1 | Very low | 43.1 | Very low | 44 Ų | 44 | 62.5 Ų | 62.5 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.1 | -51.5 | 178.9 | -107.3 | -82.2 | 0 | 0 | 0 | 112.7 | M1 I5 Q6 C7 F1222 E1229 R1283 R1424 | M1-F3 PolarHBondContact O-N 3.35Å; F3-I5 PolarHBondContact O-N 3.43Å; F3-Q6 PolarHBondContact O-N 2.94Å; F3-Q6 VanDerWaalsContact O-N 3.08Å; F3-C7 PolarHBondContact O-N 3.33Å; F3-C7 PolarHBondContact O-SG 2.77Å; F3-F1222 HydrophobicContact CD1-CD1 4.21Å; F3-F1222 HydrophobicContact CE1-CD1 4.08Å; F3-F1222 AromaticContact CE1-CE1 3.93Å; F3-F1222 HydrophobicContact CE1-CE1 3.93Å; F3-E1229 VanDerWaalsContact CB-CD 3.46Å; F3-E1229 HydrophobicContact CB-CG 4.05Å; F3-E1229 WeakPolarHBondContact CB-OE2 3.43Å; F3-E1229 VanDerWaalsContact CD1-CD 3.44Å; F3-E1229 WeakPolarHBondContact CD1-OE1 3.49Å; F3-E1229 VanDerWaalsContact CD1-OE2 3.31Å; F3-E1229 WeakPolarHBondContact CD1-OE2 3.38Å; F3-E1229 WeakPolarHBondContact CG-OE1 3.33Å; F3-R1283 VanDerWaalsContact CE2-NH2 3.25Å; F3-R1424 VanDerWaalsContact CD1-NH2 3.26Å; F3-R1424 PolarHBondContact O-NH2 2.9Å |
| 4 | L | 42.6 | Very low | 42.7 | Very low | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.7 | -33.4 | 165.9 | -80.8 | 125.4 | 0 | 0 | 0 | 113.2 | M1 Q6 C7 I8 A1281 L1555 | M1-L4 PolarHBondContact O-N 2.85Å; L4-Q6 PolarHBondContact O-N 3.31Å; L4-C7 PolarHBondContact O-N 3.29Å; L4-C7 VanDerWaalsContact O-N 3.13Å; L4-I8 PolarHBondContact O-N 2.94Å; L4-A1281 HydrophobicContact CD1-CB 3.72Å; L4-A1281 HydrophobicContact CD2-CB 3.77Å; L4-A1281 HydrophobicContact CG-CB 4.41Å; L4-L1555 HydrophobicContact CB-CB 3.97Å; L4-L1555 HydrophobicContact CB-CD1 3.42Å; L4-L1555 VanDerWaalsContact CB-CD1 3.42Å; L4-L1555 HydrophobicContact CB-CG 4.31Å; L4-L1555 HydrophobicContact CD1-CD1 4.2Å; L4-L1555 HydrophobicContact CD2-CD1 4.46Å; L4-L1555 HydrophobicContact CG-CD1 4.24Å |
| 5 | I | 48.9 | Very low | 42.2 | Very low | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.8 | -33.9 | 177.8 | -116.8 | 160.3 | 0 | 0 | 0 | 112.6 | M1 W2 F3 L1555 P1557 | M1-I5 PolarHBondContact O-N 3.15Å; W2-I5 HydrophobicContact CG-CG2 4.34Å; W2-I5 WeakPolarHBondContact O-CB 3.44Å; W2-I5 WeakPolarHBondContact O-CG2 3.2Å; W2-I5 PolarHBondContact O-N 3.18Å; F3-I5 PolarHBondContact O-N 3.43Å; I5-L1555 CarbonylContact C-O 3.49Å; I5-L1555 WeakPolarHBondContact CA-O 3.42Å; I5-L1555 HydrophobicContact CB-CB 4.27Å; I5-L1555 HydrophobicContact CD1-CD2 3.84Å; I5-L1555 HydrophobicContact CG1-CB 3.88Å; I5-L1555 HydrophobicContact CG1-CD2 3.73Å; I5-L1555 HydrophobicContact CG1-CG 4.45Å; I5-L1555 VanDerWaalsContact O-O 3.09Å; I5-P1557 HydrophobicContact CB-CG 4.37Å; I5-P1557 HydrophobicContact CD1-CB 3.86Å; I5-P1557 HydrophobicContact CD1-CG 4.38Å; I5-P1557 HydrophobicContact CG1-CB 3.89Å; I5-P1557 HydrophobicContact CG1-CG 3.98Å; I5-P1557 HydrophobicContact CG2-CB 4.27Å; I5-P1557 HydrophobicContact CG2-CG 3.6Å; I5-P1557 WeakPolarHBondContact O-CD 3.46Å |
| 6 | Q | 45.3 | Very low | 41.7 | Very low | 32 Ų | 32 | 70.5 Ų | 70.5 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -95.6 | -28.3 | -179.7 | -175 | 174.8 | 53.7 | 0 | 0 | 109.5 | W2 F3 L4 H9 I10 R1424 | W2-Q6 PolarHBondContact O-N 3.5Å; F3-Q6 PolarHBondContact O-N 2.94Å; F3-Q6 VanDerWaalsContact O-N 3.08Å; L4-Q6 PolarHBondContact O-N 3.31Å; Q6-H9 CarbonylContact O-C 3.54Å; Q6-H9 WeakPolarHBondContact O-CB 3.47Å; Q6-H9 PolarHBondContact O-N 3.2Å; Q6-I10 HydrophobicContact CG-CD1 4.11Å; Q6-I10 WeakPolarHBondContact O-CB 2.89Å; Q6-I10 VanDerWaalsContact O-CD1 3.23Å; Q6-I10 WeakPolarHBondContact O-CD1 3.37Å; Q6-I10 WeakPolarHBondContact O-CG1 3.43Å; Q6-I10 PolarHBondContact O-N 3.16Å; Q6-R1424 VanDerWaalsContact OE1-CZ 3.32Å |
| 7 | C | 44.1 | Very low | 41 | Very low | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.3 | -35.3 | 174.9 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | F3 L4 I10 Y11 E1229 R1424 | F3-C7 PolarHBondContact O-N 3.33Å; F3-C7 PolarHBondContact O-SG 2.77Å; L4-C7 PolarHBondContact O-N 3.29Å; L4-C7 VanDerWaalsContact O-N 3.13Å; C7-I10 PolarHBondContact O-N 3.43Å; C7-Y11 WeakPolarHBondContact O-CB 3.33Å; C7-Y11 PolarHBondContact O-N 3.07Å; C7-E1229 PolarHBondContact SG-OE2 3.26Å; C7-R1424 PolarHBondContact SG-NH1 2.92Å; C7-R1424 PolarHBondContact SG-NH2 3.04Å; C7-R1424 VanDerWaalsContact SG-NH2 3.37Å |
| 8 | I | 50.2 | Low | 40.3 | Very low | 50 Ų | 50 | 67.9 Ų | 67.9 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.5 | -30.4 | 168 | -85.6 | 166.6 | 0 | 0 | 0 | 110.9 | L4 I10 Y11 L12 L1555 K1556 | L4-I8 PolarHBondContact O-N 2.94Å; I8-I10 VanDerWaalsContact C-N 3.32Å; I8-Y11 PolarHBondContact O-N 3.06Å; I8-L12 HydrophobicContact CG2-CD1 4.05Å; I8-L12 VanDerWaalsContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CB 3.34Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.48Å; I8-L1555 WeakPolarHBondContact CB-O 3.28Å; I8-L1555 HydrophobicContact CD1-CB 4.47Å; I8-L1555 VanDerWaalsContact CG2-O 3.27Å; I8-L1555 WeakPolarHBondContact CG2-O 3.49Å; I8-K1556 HydrophobicContact CG2-CB 4.11Å |
| 9 | H | 45 | Very low | 39.7 | Very low | 69 Ų | 69 | 69.2 Ų | 69.2 | 32% | 0.319 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 169.1 | -135.6 | -74.1 | 0 | 0 | 0 | 112.6 | Q6 L12 L13 | Q6-H9 CarbonylContact O-C 3.54Å; Q6-H9 WeakPolarHBondContact O-CB 3.47Å; Q6-H9 PolarHBondContact O-N 3.2Å; H9-L12 CarbonylContact O-C 3.48Å; H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.18Å; H9-L13 WeakPolarHBondContact O-CD1 3.5Å; H9-L13 WeakPolarHBondContact O-CG 3.35Å; H9-L13 PolarHBondContact O-N 2.99Å |
| 10 | I | 51 | Low | 39.2 | Very low | 19 Ų | 19 | 69.9 Ų | 69.9 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72 | -43.4 | 172.7 | -73.9 | 154.3 | 0 | 0 | 0 | 110 | Q6 C7 I8 L12 L13 V14 M1406 L1426 | Q6-I10 HydrophobicContact CG-CD1 4.11Å; Q6-I10 WeakPolarHBondContact O-CB 2.89Å; Q6-I10 VanDerWaalsContact O-CD1 3.23Å; Q6-I10 WeakPolarHBondContact O-CD1 3.37Å; Q6-I10 WeakPolarHBondContact O-CG1 3.43Å; Q6-I10 PolarHBondContact O-N 3.16Å; C7-I10 PolarHBondContact O-N 3.43Å; I8-I10 VanDerWaalsContact C-N 3.32Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 2.81Å; I10-L13 CarbonylContact O-C 3.43Å; I10-L13 WeakPolarHBondContact O-CA 3.35Å; I10-L13 PolarHBondContact O-N 2.67Å; I10-V14 HydrophobicContact CG2-CG2 4.07Å; I10-V14 WeakPolarHBondContact O-CB 3.44Å; I10-V14 VanDerWaalsContact O-CG2 3.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.15Å; I10-M1406 HydrophobicContact CB-CE 4.31Å; I10-M1406 HydrophobicContact CD1-CE 3.54Å; I10-M1406 HydrophobicContact CD1-SD 3.4Å; I10-M1406 WeakPolarHBondContact CD1-SD 3.49Å; I10-M1406 HydrophobicContact CG1-CE 3.76Å; I10-M1406 HydrophobicContact CG1-SD 4Å; I10-M1406 HydrophobicContact CG2-CE 3.55Å; I10-L1426 HydrophobicContact CG1-CD1 3.81Å; I10-L1426 HydrophobicContact CG1-CD2 4.34Å |
| 11 | Y | 40.7 | Very low | 39 | Very low | 150 Ų | 150 | 71.2 Ų | 71.2 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.6 | -44.2 | 173.1 | -169.5 | -91.8 | 0 | 0 | 0 | 110.6 | C7 I8 L13 V14 Q15 | C7-Y11 WeakPolarHBondContact O-CB 3.33Å; C7-Y11 PolarHBondContact O-N 3.07Å; I8-Y11 PolarHBondContact O-N 3.06Å; Y11-L13 VanDerWaalsContact C-N 3.26Å; Y11-L13 PolarHBondContact O-N 3.24Å; Y11-V14 PolarHBondContact O-N 3.08Å; Y11-Q15 HydrophobicContact CD1-CG 4.48Å; Y11-Q15 HydrophobicContact CE1-CG 4.33Å; Y11-Q15 WeakPolarHBondContact O-CB 3.22Å; Y11-Q15 WeakPolarHBondContact O-CG 3.27Å; Y11-Q15 PolarHBondContact O-N 3.48Å |
| 12 | L | 41 | Very low | 39 | Very low | 51 Ų | 51 | 68.7 Ų | 68.7 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.3 | 0.4 | 173 | -68.6 | 168 | 0 | 0 | 0 | 114.9 | I8 H9 I10 F16 K1556 | I8-L12 HydrophobicContact CG2-CD1 4.05Å; I8-L12 VanDerWaalsContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CB 3.34Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.48Å; H9-L12 CarbonylContact O-C 3.48Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 2.81Å; L12-F16 WeakPolarHBondContact O-CD2 3.28Å; L12-K1556 HydrophobicContact CD1-CD 3.7Å; L12-K1556 HydrophobicContact CD1-CG 4.38Å |
| 13 | L | 41.3 | Very low | 39.5 | Very low | 32 Ų | 32 | 66.7 Ų | 66.7 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -114.4 | -17.9 | 171 | -78.1 | 168.8 | 0 | 0 | 0 | 112.8 | H9 I10 Y11 N17 L1426 | H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.18Å; H9-L13 WeakPolarHBondContact O-CD1 3.5Å; H9-L13 WeakPolarHBondContact O-CG 3.35Å; H9-L13 PolarHBondContact O-N 2.99Å; I10-L13 CarbonylContact O-C 3.43Å; I10-L13 WeakPolarHBondContact O-CA 3.35Å; I10-L13 PolarHBondContact O-N 2.67Å; Y11-L13 VanDerWaalsContact C-N 3.26Å; Y11-L13 PolarHBondContact O-N 3.24Å; L13-N17 WeakPolarHBondContact O-CB 3.38Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 VanDerWaalsContact O-N 3.12Å; L13-N17 PolarHBondContact O-ND2 2.85Å; L13-N17 VanDerWaalsContact O-ND2 3.08Å; L13-L1426 HydrophobicContact CD1-CD1 3.62Å |
| 14 | V | 38 | Very low | 40.2 | Very low | 65 Ų | 65 | 67 Ų | 67 | 39% | 0.394 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.1 | -42.8 | 168.1 | 171.6 | 0 | 0 | 0 | 0 | 109.4 | I10 Y11 F16 N17 S18 P1404 | I10-V14 HydrophobicContact CG2-CG2 4.07Å; I10-V14 WeakPolarHBondContact O-CB 3.44Å; I10-V14 VanDerWaalsContact O-CG2 3.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.15Å; Y11-V14 PolarHBondContact O-N 3.08Å; V14-F16 PolarHBondContact O-N 2.89Å; V14-N17 CarbonylContact O-C 3.45Å; V14-N17 PolarHBondContact O-N 3.25Å; V14-N17 VanDerWaalsContact O-N 3.16Å; V14-S18 WeakPolarHBondContact O-CB 3.4Å; V14-S18 PolarHBondContact O-N 2.87Å; V14-S18 PolarHBondContact O-OG 2.88Å; V14-P1404 HydrophobicContact CG2-CB 4.32Å; V14-P1404 HydrophobicContact CG2-CG 4.34Å |
| 15 | Q | 34.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.8 | 167.2 | -77.3 | -170.9 | -28 | 0 | 0 | 113.3 | Y11 | Y11-Q15 HydrophobicContact CD1-CG 4.48Å; Y11-Q15 HydrophobicContact CE1-CG 4.33Å; Y11-Q15 WeakPolarHBondContact O-CB 3.22Å; Y11-Q15 WeakPolarHBondContact O-CG 3.27Å; Y11-Q15 PolarHBondContact O-N 3.48Å |
| 16 | F | 34.4 | Very low | 42 | Very low | 148 Ų | 148 | 67.9 Ų | 67.9 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -7.4 | 177.5 | -88.5 | -102.4 | 0 | 0 | 0 | 114.7 | L12 V14 | L12-F16 WeakPolarHBondContact O-CD2 3.28Å; V14-F16 PolarHBondContact O-N 2.89Å |
| 17 | N | 29.9 | Very low | 43.3 | Very low | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 4.9 | 173.4 | -72.8 | -55.4 | 0 | 0 | 0 | 113.1 | L13 V14 D19 N1402 P1404 | L13-N17 WeakPolarHBondContact O-CB 3.38Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 VanDerWaalsContact O-N 3.12Å; L13-N17 PolarHBondContact O-ND2 2.85Å; L13-N17 VanDerWaalsContact O-ND2 3.08Å; V14-N17 CarbonylContact O-C 3.45Å; V14-N17 PolarHBondContact O-N 3.25Å; V14-N17 VanDerWaalsContact O-N 3.16Å; N17-D19 PolarHBondContact O-N 2.98Å; N17-D19 VanDerWaalsContact O-N 3.13Å; N17-N1402 WeakPolarHBondContact OD1-CB 3.32Å; N17-N1402 PolarHBondContact OD1-ND2 2.94Å; N17-P1404 HydrophobicContact CB-CB 3.67Å; N17-P1404 HydrophobicContact CB-CG 3.66Å |
| 18 | S | 28.8 | Very low | 44.7 | Very low | 74 Ų | 74 | 69 Ų | 69 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | trans | -77.5 | 39 | 155.2 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | V14 A20 | V14-S18 WeakPolarHBondContact O-CB 3.4Å; V14-S18 PolarHBondContact O-N 2.87Å; V14-S18 PolarHBondContact O-OG 2.88Å; S18-A20 PolarHBondContact O-N 2.86Å | ||
| 19 | D | 28.5 | Very low | 45.9 | Very low | 91 Ų | 91 | 67.6 Ų | 67.6 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 67.1 | 161.8 | -97.6 | -3.7 | 0 | 0 | 0 | 108.2 | N17 V21 K22 | N17-D19 PolarHBondContact O-N 2.98Å; N17-D19 VanDerWaalsContact O-N 3.13Å; D19-V21 PolarHBondContact O-N 2.98Å; D19-K22 HydrophobicContact CB-CB 4.45Å; D19-K22 VanDerWaalsContact OD1-CD 3.31Å; D19-K22 WeakPolarHBondContact OD1-CD 3.17Å; D19-K22 WeakPolarHBondContact OD1-CE 3.18Å; D19-K22 IonicContact OD1-NZ 2.81Å; D19-K22 PolarHBondContact OD1-NZ 3.45Å | ||
| 20 | A | 30 | Very low | 47.5 | Very low | 83 Ų | 83 | 69.5 Ų | 69.5 | 69% | 0.686 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -68 | 73.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S18 K22 | S18-A20 PolarHBondContact O-N 2.86Å; A20-K22 PolarHBondContact O-N 2.82Å; A20-K22 VanDerWaalsContact O-N 3.11Å |
| 21 | V | 35.8 | Very low | 48.6 | Very low | 98 Ų | 98 | 72 Ų | 72 | 59% | 0.594 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.8 | 47.6 | -164.7 | -165 | 0 | 0 | 0 | 0 | 110.3 | D19 V23 W488 | D19-V21 PolarHBondContact O-N 2.98Å; V21-V23 WeakPolarHBondContact O-CA 3.48Å; V21-V23 PolarHBondContact O-N 2.89Å; V21-W488 HydrophobicContact CG1-CH2 3.91Å; V21-W488 HydrophobicContact CG1-CZ2 4.09Å |
| 22 | K | 35.4 | Very low | 50.5 | Low | 114 Ų | 114 | 68 Ų | 68 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.9 | 93.3 | -160.1 | -155.7 | -161.4 | -152.2 | 100.9 | 0 | 111.2 | D19 A20 V24 N54 | D19-K22 HydrophobicContact CB-CB 4.45Å; D19-K22 VanDerWaalsContact OD1-CD 3.31Å; D19-K22 WeakPolarHBondContact OD1-CD 3.17Å; D19-K22 WeakPolarHBondContact OD1-CE 3.18Å; D19-K22 IonicContact OD1-NZ 2.81Å; D19-K22 PolarHBondContact OD1-NZ 3.45Å; A20-K22 PolarHBondContact O-N 2.82Å; A20-K22 VanDerWaalsContact O-N 3.11Å; K22-V24 PolarHBondContact O-N 2.74Å; K22-N54 PolarHBondContact O-ND2 3.35Å |
| 23 | V | 44.6 | Very low | 52.6 | Low | 106 Ų | 106 | 65.9 Ų | 65.9 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | trans | -52.7 | 105.5 | -148.2 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | V21 H25 N54 | V21-V23 WeakPolarHBondContact O-CA 3.48Å; V21-V23 PolarHBondContact O-N 2.89Å; V23-H25 PolarHBondContact O-CD2 3.08Å; V23-H25 PolarHBondContact O-N 3.12Å; V23-H25 VanDerWaalsContact O-N 3.13Å; V23-N54 WeakPolarHBondContact O-CB 3.48Å; V23-N54 PolarHBondContact O-ND2 2.9Å | ||
| 24 | V | 53.7 | Low | 54.6 | Low | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | trans | -70.1 | 112.3 | -175.6 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | K22 F142 Y484 | K22-V24 PolarHBondContact O-N 2.74Å; V24-F142 HydrophobicContact CG1-CB 4.02Å; V24-F142 HydrophobicContact CG1-CD1 3.52Å; V24-F142 HydrophobicContact CG1-CD2 3.32Å; V24-F142 HydrophobicContact CG1-CE1 3.71Å; V24-F142 HydrophobicContact CG1-CE2 3.52Å; V24-F142 HydrophobicContact CG1-CG 3.31Å; V24-F142 HydrophobicContact CG1-CZ 3.71Å; V24-F142 HydrophobicContact CG2-CE2 4.49Å; V24-F142 HydrophobicContact CG2-CZ 4.38Å; V24-Y484 VanDerWaalsContact O-CE1 3.28Å; V24-Y484 WeakPolarHBondContact O-CE1 3.12Å | ||
| 25 | H | 62.3 | Low | 56.4 | Low | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.269 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.5 | 179.8 | 71.9 | 88.1 | 0 | 0 | 0 | 110.4 | V23 K52 A53 N54 N140 | V23-H25 PolarHBondContact O-CD2 3.08Å; V23-H25 PolarHBondContact O-N 3.12Å; V23-H25 VanDerWaalsContact O-N 3.13Å; H25-K52 VanDerWaalsContact CE1-C 3.48Å; H25-K52 PolarHBondContact CE1-O 3Å; H25-K52 PolarHBondContact ND1-O 2.83Å; H25-A53 VanDerWaalsContact CE1-C 3.41Å; H25-A53 WeakPolarHBondContact CE1-CA 3.07Å; H25-A53 PolarHBondContact CE1-N 2.82Å; H25-A53 WeakPolarHBondContact ND1-CA 3.25Å; H25-N54 VanDerWaalsContact CD2-CB 3.46Å; H25-N54 WeakPolarHBondContact CD2-CB 3.43Å; H25-N54 PolarHBondContact N-O 2.84Å; H25-N54 PolarHBondContact O-N 2.78Å; H25-N140 PolarHBondContact O-ND2 3.17Å; H25-N140 VanDerWaalsContact O-ND2 3.07Å |
| 26 | P | 67 | Low | 58.6 | Low | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 174.7 | -178.4 | 36.1 | -40.3 | 0 | 0 | 0 | 111.1 | T28 V467 Y484 | P26-T28 PolarHBondContact O-N 3.22Å; P26-T28 VanDerWaalsContact O-N 3.16Å; P26-T28 PolarHBondContact O-OG1 3.47Å; P26-V467 HydrophobicContact CB-CG2 3.32Å; P26-V467 HydrophobicContact CG-CG2 3.63Å; P26-Y484 HydrophobicContact CB-CD2 4.37Å; P26-Y484 VanDerWaalsContact CD-CD1 3.44Å; P26-Y484 HydrophobicContact CG-CD1 4.17Å; P26-Y484 HydrophobicContact CG-CD2 3.47Å; P26-Y484 VanDerWaalsContact CG-CD2 3.47Å; P26-Y484 HydrophobicContact CG-CE2 4.12Å; P26-Y484 HydrophobicContact CG-CG 3.49Å; P26-Y484 VanDerWaalsContact CG-CG 3.49Å |
| 27 | P | 73.3 | Confident | 61 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 116.8 | -176.3 | -19.4 | 33.7 | 0 | 0 | 0 | 112.2 | A51 A53 P57 A138 N140 G143 A145 | P27-A51 HydrophobicContact CB-CB 4.27Å; P27-A53 HydrophobicContact CB-CB 4.18Å; P27-A53 HydrophobicContact CG-CB 4.09Å; P27-P57 HydrophobicContact CB-CB 3.9Å; P27-P57 HydrophobicContact CB-CG 4.46Å; P27-P57 HydrophobicContact CG-CB 3.89Å; P27-A138 HydrophobicContact CB-CB 3.69Å; P27-A138 HydrophobicContact CG-CB 4.44Å; P27-A138 WeakPolarHBondContact CG-O 3.26Å; P27-N140 HydrophobicContact CG-CB 4.24Å; P27-G143 WeakPolarHBondContact CD-O 3.48Å; P27-G143 WeakPolarHBondContact CG-O 3.48Å; P27-A145 HydrophobicContact CB-CB 4.1Å; P27-A145 WeakPolarHBondContact O-CB 3.43Å |
| 28 | T | 73 | Confident | 63.6 | Low | 63 Ų | 63 | 60 Ų | 60 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.6 | 178.5 | -55 | 0 | 0 | 0 | 0 | 109.2 | P26 I30 A51 K52 | P26-T28 PolarHBondContact O-N 3.22Å; P26-T28 VanDerWaalsContact O-N 3.16Å; P26-T28 PolarHBondContact O-OG1 3.47Å; T28-I30 PolarHBondContact O-N 3.5Å; T28-A51 CarbonylContact O-C 3.09Å; T28-A51 WeakPolarHBondContact O-CA 3.47Å; T28-K52 PolarHBondContact N-O 2.88Å; T28-K52 PolarHBondContact O-N 2.92Å |
| 29 | F | 76.3 | Confident | 66.1 | Low | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 129.5 | -177.1 | -71.1 | -77.9 | 0 | 0 | 0 | 112.1 | M32 C49 Y50 A51 A138 A145 L146 | F29-M32 HydrophobicContact CB-CE 3.71Å; F29-M32 HydrophobicContact CB-CG 3.91Å; F29-M32 HydrophobicContact CD2-CE 4.35Å; F29-M32 HydrophobicContact CG-CE 4.31Å; F29-M32 HydrophobicContact CG-CG 4.35Å; F29-C49 VanDerWaalsContact CE1-SG 3.58Å; F29-Y50 WeakPolarHBondContact CA-O 3.44Å; F29-A51 HydrophobicContact CD1-CB 3.81Å; F29-A51 HydrophobicContact CE1-CB 4.11Å; F29-A51 HydrophobicContact CG-CB 4.17Å; F29-A138 HydrophobicContact CE1-CB 3.89Å; F29-A138 HydrophobicContact CE2-CB 4.47Å; F29-A138 HydrophobicContact CZ-CB 3.69Å; F29-A145 HydrophobicContact CD2-CB 4.24Å; F29-A145 HydrophobicContact CE2-CB 3.65Å; F29-A145 HydrophobicContact CZ-CB 4.47Å; F29-L146 WeakPolarHBondContact CE2-O 3.29Å |
| 30 | I | 78 | Confident | 68.6 | Low | 109 Ų | 109 | 52.8 Ų | 52.8 | 56% | 0.559 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -33.5 | 170.6 | -65.5 | -177.1 | 0 | 0 | 0 | 110 | T28 Y50 K52 | T28-I30 PolarHBondContact O-N 3.5Å; I30-Y50 HydrophobicContact CB-CD1 4.15Å; I30-Y50 HydrophobicContact CD1-CE1 4.4Å; I30-Y50 PolarHBondContact N-O 2.95Å; I30-K52 HydrophobicContact CD1-CB 3.74Å; I30-K52 HydrophobicContact CD1-CD 4.06Å; I30-K52 HydrophobicContact CD1-CG 4.46Å; I30-K52 HydrophobicContact CG1-CB 4.38Å |
| 31 | K | 75.6 | Confident | 70.6 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.9 | 173 | -59 | 173.5 | 174.5 | 171.3 | 0 | 108.8 | P48 C49 Y50 E114 S115 | K31-P48 HydrophobicContact CB-CB 4.33Å; K31-C49 WeakPolarHBondContact O-CA 3.48Å; K31-Y50 PolarHBondContact N-O 2.96Å; K31-Y50 PolarHBondContact O-N 2.71Å; K31-E114 PolarHBondContact NZ-O 3.39Å; K31-S115 PolarHBondContact NZ-O 2.9Å |
| 32 | M | 80.3 | Confident | 72.3 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | trans | -119.5 | 152.5 | 176.9 | -69 | -168.4 | -173.3 | 0 | 0 | 110.7 | F29 P48 I148 | F29-M32 HydrophobicContact CB-CE 3.71Å; F29-M32 HydrophobicContact CB-CG 3.91Å; F29-M32 HydrophobicContact CD2-CE 4.35Å; F29-M32 HydrophobicContact CG-CE 4.31Å; F29-M32 HydrophobicContact CG-CG 4.35Å; M32-P48 CarbonylContact C-O 3.59Å; M32-P48 VanDerWaalsContact C-O 3.26Å; M32-I148 HydrophobicContact SD-CD1 4.1Å; M32-I148 HydrophobicContact SD-CG1 4.11Å | ||
| 33 | P | 85.1 | Confident | 73.9 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | trans | -75.2 | 156.8 | 175.9 | 32.7 | -36.7 | 0 | 0 | 0 | 112.1 | I47 P48 W61 L150 | P33-I47 HydrophobicContact CB-CG2 3.63Å; P33-P48 WeakPolarHBondContact CA-O 3.3Å; P33-P48 VanDerWaalsContact N-O 3.09Å; P33-W61 HydrophobicContact CB-CH2 3.82Å; P33-W61 HydrophobicContact CG-CH2 4.01Å; P33-W61 HydrophobicContact CG-CZ3 4.44Å; P33-L150 HydrophobicContact CB-CB 4.5Å | ||
| 34 | P | 82 | Confident | 75.2 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | trans | -69.7 | 158.3 | 175.1 | 30.6 | -34.8 | 0 | 0 | 0 | 111.9 | I36 L150 M1623 | P34-I36 VanDerWaalsContact C-N 3.35Å; P34-I36 PolarHBondContact O-N 3.46Å; P34-L150 HydrophobicContact CG-CD1 4.36Å; P34-L150 WeakPolarHBondContact O-CA 3.15Å; P34-L150 WeakPolarHBondContact O-CB 3.45Å; P34-L150 VanDerWaalsContact O-CD1 3.27Å; P34-L150 WeakPolarHBondContact O-CD1 3.21Å; P34-M1623 HydrophobicContact CG-CE 3.9Å | ||
| 35 | S | 75.3 | Confident | 76.4 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.8 | -23.7 | -178.3 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | K151 K395 | S35-K151 PolarHBondContact O-N 3Å; S35-K395 PolarHBondContact OG-NZ 3.4Å |
| 36 | I | 81.2 | Confident | 77.4 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.4 | 175.4 | -54.6 | -178.1 | 0 | 0 | 0 | 107.8 | P34 Y38 K151 | P34-I36 VanDerWaalsContact C-N 3.35Å; P34-I36 PolarHBondContact O-N 3.46Å; I36-Y38 HydrophobicContact CG2-CE1 4.46Å; I36-Y38 HydrophobicContact CG2-CE2 4.35Å; I36-K151 CarbonylContact C-O 3.21Å; I36-K151 VanDerWaalsContact CA-O 3.29Å; I36-K151 WeakPolarHBondContact CA-O 3.17Å; I36-K151 HydrophobicContact CG1-CB 4.22Å |
| 37 | A | 84.6 | Confident | 78.2 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L45 L150 K151 L152 E153 | A37-L45 HydrophobicContact CB-CD2 3.78Å; A37-L150 HydrophobicContact CB-CD1 3.68Å; A37-L150 VanDerWaalsContact N-CD1 3.34Å; A37-K151 PolarHBondContact N-O 2.71Å; A37-L152 HydrophobicContact CB-CD1 4.13Å; A37-L152 WeakPolarHBondContact O-CA 3.18Å; A37-E153 PolarHBondContact O-N 2.79Å |
| 38 | Y | 85.6 | Confident | 78.8 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.6 | 168.8 | -56.5 | -74.3 | 0 | 0 | 0 | 108.3 | I36 E153 I186 P187 I243 | I36-Y38 HydrophobicContact CG2-CE1 4.46Å; I36-Y38 HydrophobicContact CG2-CE2 4.35Å; Y38-E153 CarbonylContact C-O 3.59Å; Y38-E153 VanDerWaalsContact CA-O 3.3Å; Y38-E153 WeakPolarHBondContact CA-O 3.45Å; Y38-E153 HydrophobicContact CD1-CB 3.94Å; Y38-E153 HydrophobicContact CE1-CB 4.16Å; Y38-I186 HydrophobicContact CD1-CG2 3.98Å; Y38-I186 HydrophobicContact CE1-CG2 3.92Å; Y38-P187 HydrophobicContact CD2-CB 4.41Å; Y38-P187 HydrophobicContact CD2-CG 4.32Å; Y38-P187 HydrophobicContact CE1-CB 4.18Å; Y38-P187 HydrophobicContact CE2-CB 4.07Å; Y38-P187 HydrophobicContact CE2-CG 4.45Å; Y38-P187 HydrophobicContact CG-CG 4.41Å; Y38-I243 HydrophobicContact CD2-CG1 4.45Å; Y38-I243 HydrophobicContact CG-CG1 4.42Å |
| 39 | I | 80.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.1 | 174.6 | -174.3 | 161.7 | 0 | 0 | 0 | 110.8 | L45 F120 L129 L152 E153 V154 A155 | I39-L45 HydrophobicContact CB-CB 4.41Å; I39-L45 HydrophobicContact CB-CD2 4.27Å; I39-L45 HydrophobicContact CD1-CB 3.62Å; I39-L45 HydrophobicContact CG1-CB 4.03Å; I39-F120 WeakPolarHBondContact CD1-O 3.33Å; I39-L129 HydrophobicContact CD1-CD1 3.73Å; I39-L129 HydrophobicContact CD1-CD2 3.8Å; I39-L129 HydrophobicContact CD1-CG 4.4Å; I39-L129 HydrophobicContact CG1-CD2 4.23Å; I39-L129 HydrophobicContact CG2-CD1 4.3Å; I39-L129 HydrophobicContact CG2-CD2 3.87Å; I39-L129 HydrophobicContact CG2-CG 4.33Å; I39-L152 HydrophobicContact CB-CD1 4.2Å; I39-L152 HydrophobicContact CG2-CD1 4.06Å; I39-L152 HydrophobicContact CG2-CD2 4.48Å; I39-L152 HydrophobicContact CG2-CG 4.28Å; I39-E153 PolarHBondContact N-O 2.88Å; I39-V154 HydrophobicContact CG2-CG2 4.02Å; I39-A155 PolarHBondContact O-N 3.23Å |
| 40 | N | 81.1 | Confident | 80 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | trans | -69.1 | 124.6 | 163.6 | -176.8 | -4.9 | 0 | 0 | 0 | 108.3 | E42 E43 I243 L244 | N40-E42 PolarHBondContact O-N 2.95Å; N40-E42 PolarHBondContact OD1-N 3.27Å; N40-E43 HydrophobicContact CB-CB 4.19Å; N40-E43 HydrophobicContact CB-CG 4.43Å; N40-E43 WeakPolarHBondContact CB-OE2 3.45Å; N40-E43 PolarHBondContact ND2-OE2 2.84Å; N40-E43 PolarHBondContact O-N 2.8Å; N40-I243 HydrophobicContact CB-CG2 4.35Å; N40-I243 WeakPolarHBondContact CB-O 3.49Å; N40-I243 PolarHBondContact ND2-O 3.23Å; N40-L244 HydrophobicContact CB-CD2 4.49Å; N40-L244 WeakPolarHBondContact OD1-CD2 3.43Å | ||
| 41 | P | 72.1 | Confident | 80 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.6 | 177.6 | -25 | 34.4 | 0 | 0 | 0 | 115.1 | I122 V154 L244 | P41-I122 WeakPolarHBondContact O-CD1 3.22Å; P41-V154 HydrophobicContact CG-CG1 3.86Å; P41-L244 VanDerWaalsContact CD-CD2 3.45Å; P41-L244 HydrophobicContact CG-CD2 4.48Å |
| 42 | E | 70.5 | Confident | 80 | Confident | 181 Ų | 181 | 41.2 Ų | 41.2 | 85% | 0.846 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -8.8 | -173.3 | -59.1 | -179.6 | -178 | 0 | 0 | 113.1 | N40 | N40-E42 PolarHBondContact O-N 2.95Å; N40-E42 PolarHBondContact OD1-N 3.27Å |
| 43 | E | 70.7 | Confident | 79.7 | Confident | 86 Ų | 86 | 38.5 Ų | 38.5 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -127.5 | 148.9 | -177.2 | -63.9 | 163.2 | 163.3 | 0 | 0 | 111 | N40 | N40-E43 HydrophobicContact CB-CB 4.19Å; N40-E43 HydrophobicContact CB-CG 4.43Å; N40-E43 WeakPolarHBondContact CB-OE2 3.45Å; N40-E43 PolarHBondContact ND2-OE2 2.84Å; N40-E43 PolarHBondContact O-N 2.8Å |
| 44 | P | 71.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | trans | -76.5 | 143.1 | 171 | 36.6 | -38 | 0 | 0 | 0 | 110.4 | F46 Y119 T1625 P1626 T1627 | P44-F46 HydrophobicContact CB-CD2 4.28Å; P44-F46 HydrophobicContact CB-CE2 3.9Å; P44-F46 HydrophobicContact CG-CE2 3.96Å; P44-Y119 HydrophobicContact CB-CD2 4.39Å; P44-Y119 HydrophobicContact CB-CE2 3.76Å; P44-Y119 HydrophobicContact CG-CE2 4.46Å; P44-T1625 PolarHBondContact O-OG1 3.31Å; P44-T1625 VanDerWaalsContact O-OG1 3.1Å; P44-P1626 WeakPolarHBondContact CD-O 3.29Å; P44-P1626 WeakPolarHBondContact CG-O 3.3Å; P44-T1627 WeakPolarHBondContact CG-OG1 3.18Å | ||
| 45 | L | 78.9 | Confident | 78.4 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.8 | 169.8 | 177.5 | 64.5 | 0 | 0 | 0 | 109.3 | A37 I39 I47 F120 L152 M1623 | A37-L45 HydrophobicContact CB-CD2 3.78Å; I39-L45 HydrophobicContact CB-CB 4.41Å; I39-L45 HydrophobicContact CB-CD2 4.27Å; I39-L45 HydrophobicContact CD1-CB 3.62Å; I39-L45 HydrophobicContact CG1-CB 4.03Å; L45-I47 HydrophobicContact CD2-CD1 3.67Å; L45-I47 HydrophobicContact CD2-CG1 4.18Å; L45-I47 HydrophobicContact CG-CD1 3.97Å; L45-I47 HydrophobicContact CG-CG1 3.9Å; L45-F120 HydrophobicContact CB-CB 4.31Å; L45-F120 PolarHBondContact N-O 2.86Å; L45-F120 CarbonylContact O-C 3.49Å; L45-F120 WeakPolarHBondContact O-CA 3.46Å; L45-F120 VanDerWaalsContact O-CB 3.3Å; L45-F120 WeakPolarHBondContact O-CB 3.3Å; L45-F120 PolarHBondContact O-N 3.16Å; L45-L152 HydrophobicContact CD2-CD1 3.47Å; L45-L152 VanDerWaalsContact CD2-CD1 3.47Å; L45-M1623 HydrophobicContact CD1-SD 4.04Å |
| 46 | F | 83.7 | Confident | 78.3 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.8 | 174 | -76.2 | -143 | 0 | 0 | 0 | 111.7 | P44 Y74 W118 Y119 T1625 | P44-F46 HydrophobicContact CB-CD2 4.28Å; P44-F46 HydrophobicContact CB-CE2 3.9Å; P44-F46 HydrophobicContact CG-CE2 3.96Å; F46-Y74 HydrophobicContact CD1-CD2 4.41Å; F46-Y74 HydrophobicContact CD1-CG 4.11Å; F46-Y74 HydrophobicContact CE1-CD1 4.21Å; F46-Y74 AromaticContact CE1-CD2 3.46Å; F46-Y74 HydrophobicContact CE1-CD2 3.46Å; F46-Y74 VanDerWaalsContact CE1-CD2 3.46Å; F46-Y74 AromaticContact CE1-CE2 3.92Å; F46-Y74 HydrophobicContact CE1-CE2 3.92Å; F46-Y74 AromaticContact CE1-CG 3.6Å; F46-Y74 HydrophobicContact CE1-CG 3.6Å; F46-Y74 HydrophobicContact CZ-CD2 4.22Å; F46-Y74 HydrophobicContact CZ-CE2 4.47Å; F46-W118 CarbonylContact C-O 3.52Å; F46-W118 WeakPolarHBondContact CA-O 3.14Å; F46-Y119 HydrophobicContact CD2-CD2 4.11Å; F46-Y119 HydrophobicContact CE1-CD2 4.39Å; F46-Y119 AromaticContact CE2-CD2 3.33Å; F46-Y119 HydrophobicContact CE2-CD2 3.33Å; F46-Y119 AromaticContact CE2-CE2 3.86Å; F46-Y119 HydrophobicContact CE2-CE2 3.86Å; F46-Y119 HydrophobicContact CE2-CG 4.33Å; F46-Y119 AromaticContact CZ-CD2 3.53Å; F46-Y119 HydrophobicContact CZ-CD2 3.53Å; F46-Y119 HydrophobicContact CZ-CE2 4.21Å; F46-T1625 HydrophobicContact CB-CG2 3.58Å; F46-T1625 HydrophobicContact CD1-CG2 3.5Å; F46-T1625 HydrophobicContact CD2-CG2 3.32Å; F46-T1625 WeakPolarHBondContact CD2-OG1 3.21Å; F46-T1625 HydrophobicContact CE1-CG2 3.73Å; F46-T1625 VanDerWaalsContact CE2-CB 3.45Å; F46-T1625 HydrophobicContact CE2-CG2 3.58Å; F46-T1625 HydrophobicContact CG-CG2 3.24Å; F46-T1625 HydrophobicContact CZ-CG2 3.76Å; F46-T1625 PolarHBondContact N-OG1 3.16Å |
| 47 | I | 83.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.6 | -164.3 | -46.6 | -166.7 | 0 | 0 | 0 | 110.5 | P33 L45 W61 W118 F120 L150 | P33-I47 HydrophobicContact CB-CG2 3.63Å; L45-I47 HydrophobicContact CD2-CD1 3.67Å; L45-I47 HydrophobicContact CD2-CG1 4.18Å; L45-I47 HydrophobicContact CG-CD1 3.97Å; L45-I47 HydrophobicContact CG-CG1 3.9Å; I47-W61 HydrophobicContact CB-CH2 4.47Å; I47-W61 HydrophobicContact CG2-CH2 3.91Å; I47-W61 HydrophobicContact CG2-CZ2 4.33Å; I47-W118 PolarHBondContact N-O 2.88Å; I47-W118 WeakPolarHBondContact O-CB 3.07Å; I47-W118 PolarHBondContact O-N 3.23Å; I47-F120 HydrophobicContact CB-CD2 4.17Å; I47-F120 HydrophobicContact CB-CE2 3.77Å; I47-F120 HydrophobicContact CB-CZ 4.43Å; I47-F120 HydrophobicContact CD1-CD1 4.01Å; I47-F120 HydrophobicContact CD1-CD2 3.71Å; I47-F120 HydrophobicContact CD1-CE1 3.91Å; I47-F120 HydrophobicContact CD1-CE2 3.62Å; I47-F120 HydrophobicContact CD1-CG 3.93Å; I47-F120 HydrophobicContact CD1-CZ 3.72Å; I47-F120 HydrophobicContact CG1-CD2 3.67Å; I47-F120 HydrophobicContact CG1-CE2 3.7Å; I47-F120 HydrophobicContact CG1-CG 4.28Å; I47-F120 HydrophobicContact CG1-CZ 4.3Å; I47-L150 HydrophobicContact CD1-CD2 3.3Å; I47-L150 HydrophobicContact CG2-CD2 4.1Å |
| 48 | P | 86 | Confident | 78 | Confident | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.4 | -179 | 29.4 | -33.8 | 0 | 0 | 0 | 112.5 | K31 M32 P33 G116 L117 M1622 | K31-P48 HydrophobicContact CB-CB 4.33Å; M32-P48 CarbonylContact C-O 3.59Å; M32-P48 VanDerWaalsContact C-O 3.26Å; P33-P48 WeakPolarHBondContact CA-O 3.3Å; P33-P48 VanDerWaalsContact N-O 3.09Å; P48-G116 CarbonylContact C-O 3.37Å; P48-G116 WeakPolarHBondContact CA-O 3.19Å; P48-L117 HydrophobicContact CB-CD2 4.34Å; P48-M1622 HydrophobicContact CG-CE 4.14Å |
| 49 | C | 87.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -155.3 | 115.9 | 164.4 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | F29 K31 W61 I112 G116 W118 C136 | F29-C49 VanDerWaalsContact CE1-SG 3.58Å; K31-C49 WeakPolarHBondContact O-CA 3.48Å; C49-W61 HydrophobicContact CB-CZ2 3.88Å; C49-I112 WeakPolarHBondContact O-CD1 3.35Å; C49-G116 CarbonylContact C-O 3.46Å; C49-G116 PolarHBondContact N-O 2.82Å; C49-W118 PolarHBondContact O-NE1 2.87Å; C49-W118 VanDerWaalsContact O-NE1 3.09Å; C49-C136 HydrophobicContact CB-CB 3.75Å; C49-C136 WeakPolarHBondContact CB-SG 3.26Å; C49-C136 WeakPolarHBondContact SG-CB 3.33Å; C49-C136 CovalentContact SG-SG 2.03Å; C49-C136 PolarHBondContact SG-SG 3.1Å | ||
| 50 | Y | 85.9 | Confident | 78.1 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 13% | 0.129 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 142.2 | 179.6 | 178.5 | -104.4 | 0 | 0 | 0 | 111.7 | F29 I30 K31 Y59 | F29-Y50 WeakPolarHBondContact CA-O 3.44Å; I30-Y50 HydrophobicContact CB-CD1 4.15Å; I30-Y50 HydrophobicContact CD1-CE1 4.4Å; I30-Y50 PolarHBondContact N-O 2.95Å; K31-Y50 PolarHBondContact N-O 2.96Å; K31-Y50 PolarHBondContact O-N 2.71Å; Y50-Y59 WeakPolarHBondContact CD2-OH 3.4Å |
| 51 | A | 79.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P27 T28 F29 P57 Y59 A138 | P27-A51 HydrophobicContact CB-CB 4.27Å; T28-A51 CarbonylContact O-C 3.09Å; T28-A51 WeakPolarHBondContact O-CA 3.47Å; F29-A51 HydrophobicContact CD1-CB 3.81Å; F29-A51 HydrophobicContact CE1-CB 4.11Å; F29-A51 HydrophobicContact CG-CB 4.17Å; A51-P57 HydrophobicContact CB-CG 4.2Å; A51-P57 WeakPolarHBondContact O-CG 3.19Å; A51-Y59 HydrophobicContact CB-CE1 4.15Å; A51-Y59 PolarHBondContact N-OH 2.73Å; A51-Y59 PolarHBondContact O-OH 2.6Å; A51-A138 HydrophobicContact CB-CB 3.88Å |
| 52 | K | 75.7 | Confident | 79.2 | Confident | 124 Ų | 124 | 44.3 Ų | 44.3 | 54% | 0.539 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.5 | 173.1 | -154.9 | 169.7 | -178.9 | 167 | 0 | 108.9 | H25 T28 I30 | H25-K52 VanDerWaalsContact CE1-C 3.48Å; H25-K52 PolarHBondContact CE1-O 3Å; H25-K52 PolarHBondContact ND1-O 2.83Å; T28-K52 PolarHBondContact N-O 2.88Å; T28-K52 PolarHBondContact O-N 2.92Å; I30-K52 HydrophobicContact CD1-CB 3.74Å; I30-K52 HydrophobicContact CD1-CD 4.06Å; I30-K52 HydrophobicContact CD1-CG 4.46Å; I30-K52 HydrophobicContact CG1-CB 4.38Å |
| 53 | A | 73.7 | Confident | 80 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | H25 P27 P55 E56 P57 N140 | H25-A53 VanDerWaalsContact CE1-C 3.41Å; H25-A53 WeakPolarHBondContact CE1-CA 3.07Å; H25-A53 PolarHBondContact CE1-N 2.82Å; H25-A53 WeakPolarHBondContact ND1-CA 3.25Å; P27-A53 HydrophobicContact CB-CB 4.18Å; P27-A53 HydrophobicContact CG-CB 4.09Å; A53-P55 CarbonylContact C-O 3.51Å; A53-P55 VanDerWaalsContact C-O 3.24Å; A53-P55 WeakPolarHBondContact CB-O 3.41Å; A53-P55 CarbonylContact O-C 3.59Å; A53-E56 WeakPolarHBondContact O-CA 3.11Å; A53-E56 PolarHBondContact O-N 3.3Å; A53-P57 HydrophobicContact CB-CB 3.88Å; A53-P57 VanDerWaalsContact CB-CD 3.45Å; A53-P57 HydrophobicContact CB-CG 3.77Å; A53-N140 HydrophobicContact CB-CB 4.25Å; A53-N140 WeakPolarHBondContact CB-ND2 3.45Å |
| 54 | N | 67.5 | Low | 80.6 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 114.5 | 170.4 | 176.5 | 30.2 | 0 | 0 | 0 | 109.8 | K22 V23 H25 | K22-N54 PolarHBondContact O-ND2 3.35Å; V23-N54 WeakPolarHBondContact O-CB 3.48Å; V23-N54 PolarHBondContact O-ND2 2.9Å; H25-N54 VanDerWaalsContact CD2-CB 3.46Å; H25-N54 WeakPolarHBondContact CD2-CB 3.43Å; H25-N54 PolarHBondContact N-O 2.84Å; H25-N54 PolarHBondContact O-N 2.78Å |
| 55 | P | 72.7 | Confident | 81 | Confident | 58 Ų | 58 | 39.8 Ų | 39.8 | 38% | 0.377 | 21% | 0.206 | S | C | . | . | S | Bend | cis | -62.8 | 163.2 | -6.2 | 31.3 | -37.4 | 0 | 0 | 0 | 111.4 | A53 N140 P141 F142 | A53-P55 CarbonylContact C-O 3.51Å; A53-P55 VanDerWaalsContact C-O 3.24Å; A53-P55 WeakPolarHBondContact CB-O 3.41Å; A53-P55 CarbonylContact O-C 3.59Å; P55-N140 WeakPolarHBondContact O-CB 3.34Å; P55-N140 PolarHBondContact O-ND2 2.92Å; P55-P141 HydrophobicContact CG-CG 4.13Å; P55-F142 HydrophobicContact CG-CE2 4.36Å |
| 56 | E | 71.6 | Confident | 81.1 | Confident | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -52.2 | 147.2 | -175.1 | -70.1 | -166.2 | 152.3 | 0 | 0 | 113.6 | A53 | A53-E56 WeakPolarHBondContact O-CA 3.11Å; A53-E56 PolarHBondContact O-N 3.3Å |
| 57 | P | 77.5 | Confident | 80.9 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 140.2 | 178.7 | 31.5 | -26 | 0 | 0 | 0 | 110.7 | P27 A51 A53 Y59 A138 I139 | P27-P57 HydrophobicContact CB-CB 3.9Å; P27-P57 HydrophobicContact CB-CG 4.46Å; P27-P57 HydrophobicContact CG-CB 3.89Å; A51-P57 HydrophobicContact CB-CG 4.2Å; A51-P57 WeakPolarHBondContact O-CG 3.19Å; A53-P57 HydrophobicContact CB-CB 3.88Å; A53-P57 VanDerWaalsContact CB-CD 3.45Å; A53-P57 HydrophobicContact CB-CG 3.77Å; P57-Y59 HydrophobicContact CG-CE1 4.38Å; P57-Y59 HydrophobicContact CG-CE2 3.96Å; P57-Y59 VanDerWaalsContact O-CD2 3.32Å; P57-Y59 WeakPolarHBondContact O-CD2 3.12Å; P57-Y59 WeakPolarHBondContact O-CE2 3.39Å; P57-A138 HydrophobicContact CB-CB 4.07Å; P57-I139 CarbonylContact C-O 3.32Å; P57-I139 WeakPolarHBondContact CA-O 3.12Å |
| 58 | R | 82.3 | Confident | 80.6 | Confident | 151 Ų | 151 | 49.8 Ų | 49.8 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 144.2 | 162.5 | -57.6 | -179.8 | -177.8 | 174.8 | -2.2 | 108.6 | L109 I139 | R58-L109 HydrophobicContact CB-CB 4.48Å; R58-L109 HydrophobicContact CB-CD2 4.11Å; R58-I139 PolarHBondContact N-O 3.48Å; R58-I139 PolarHBondContact O-N 3.36Å |
| 59 | Y | 84.9 | Confident | 79.9 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151.7 | -176.1 | -58.4 | -99.5 | 0 | 0 | 0 | 112.4 | Y50 A51 P57 I112 W118 I137 A138 | Y50-Y59 WeakPolarHBondContact CD2-OH 3.4Å; A51-Y59 HydrophobicContact CB-CE1 4.15Å; A51-Y59 PolarHBondContact N-OH 2.73Å; A51-Y59 PolarHBondContact O-OH 2.6Å; P57-Y59 HydrophobicContact CG-CE1 4.38Å; P57-Y59 HydrophobicContact CG-CE2 3.96Å; P57-Y59 VanDerWaalsContact O-CD2 3.32Å; P57-Y59 WeakPolarHBondContact O-CD2 3.12Å; P57-Y59 WeakPolarHBondContact O-CE2 3.39Å; Y59-I112 HydrophobicContact CD1-CD1 3.98Å; Y59-I112 HydrophobicContact CD2-CD1 3.6Å; Y59-I112 HydrophobicContact CD2-CG1 3.67Å; Y59-I112 HydrophobicContact CE1-CD1 3.95Å; Y59-I112 HydrophobicContact CE2-CD1 3.58Å; Y59-I112 HydrophobicContact CE2-CG1 3.72Å; Y59-I112 HydrophobicContact CG-CD1 3.79Å; Y59-I112 HydrophobicContact CG-CG1 4.27Å; Y59-W118 VanDerWaalsContact CB-CZ2 3.41Å; Y59-W118 HydrophobicContact CD1-CZ2 4.45Å; Y59-W118 AromaticContact CG-CZ2 4Å; Y59-W118 HydrophobicContact CG-CZ2 4Å; Y59-I137 WeakPolarHBondContact CA-O 3.49Å; Y59-A138 HydrophobicContact CD1-CB 4Å; Y59-A138 HydrophobicContact CE1-CB 4.03Å |
| 60 | Y | 84.7 | Confident | 79.1 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.3 | 162.7 | 62.4 | -83.1 | 0 | 0 | 0 | 111.5 | T62 H67 I137 I139 | Y60-T62 HydrophobicContact CD2-CG2 4.04Å; Y60-T62 HydrophobicContact CE2-CG2 3.78Å; Y60-H67 VanDerWaalsContact CB-NE2 3.29Å; Y60-H67 WeakPolarHBondContact CB-NE2 3.27Å; Y60-H67 AromaticContact CD2-CD2 3.32Å; Y60-H67 WeakPolarHBondContact CD2-CD2 3.03Å; Y60-H67 AromaticContact CD2-NE2 3.54Å; Y60-H67 AromaticContact CE2-CD2 3.93Å; Y60-H67 AromaticContact CG-CD2 3.86Å; Y60-H67 AromaticContact CG-NE2 3.55Å; Y60-I137 HydrophobicContact CD1-CB 4.33Å; Y60-I137 HydrophobicContact CD2-CB 4.41Å; Y60-I137 HydrophobicContact CE1-CB 3.91Å; Y60-I137 HydrophobicContact CE1-CG2 3.75Å; Y60-I137 HydrophobicContact CE2-CB 4.01Å; Y60-I137 HydrophobicContact CE2-CD1 3.78Å; Y60-I137 HydrophobicContact CE2-CG1 4.26Å; Y60-I137 HydrophobicContact CE2-CG2 4.41Å; Y60-I137 PolarHBondContact N-O 2.7Å; Y60-I137 PolarHBondContact O-N 3.12Å; Y60-I139 HydrophobicContact CE1-CD1 3.66Å; Y60-I139 HydrophobicContact CE1-CG1 4.1Å |
| 61 | W | 87.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.4 | 173.8 | -75.5 | 87.8 | 0 | 0 | 0 | 111.3 | P33 I47 C49 A68 I71 W118 F120 Q135 C136 | P33-W61 HydrophobicContact CB-CH2 3.82Å; P33-W61 HydrophobicContact CG-CH2 4.01Å; P33-W61 HydrophobicContact CG-CZ3 4.44Å; I47-W61 HydrophobicContact CB-CH2 4.47Å; I47-W61 HydrophobicContact CG2-CH2 3.91Å; I47-W61 HydrophobicContact CG2-CZ2 4.33Å; C49-W61 HydrophobicContact CB-CZ2 3.88Å; W61-A68 HydrophobicContact CB-CB 4.27Å; W61-A68 PolarHBondContact O-N 2.71Å; W61-I71 HydrophobicContact CB-CB 4.43Å; W61-I71 HydrophobicContact CB-CD1 3.6Å; W61-I71 HydrophobicContact CD2-CD1 4.38Å; W61-I71 HydrophobicContact CG-CB 4.39Å; W61-I71 HydrophobicContact CG-CD1 3.9Å; W61-I71 HydrophobicContact CG-CG2 3.98Å; W61-W118 AromaticContact CD1-CD2 3.76Å; W61-W118 AromaticContact CD1-CE3 3.66Å; W61-W118 AromaticContact CD1-CZ3 3.85Å; W61-W118 HydrophobicContact CZ2-CB 4.45Å; W61-W118 HydrophobicContact CZ2-CG 4.26Å; W61-W118 AromaticContact NE1-CD1 3.7Å; W61-W118 AromaticContact NE1-CD2 3.13Å; W61-W118 AromaticContact NE1-CE2 3.4Å; W61-W118 AromaticContact NE1-CE3 3.54Å; W61-W118 AromaticContact NE1-CG 3.31Å; W61-W118 VanDerWaalsContact NE1-CG 3.31Å; W61-W118 AromaticContact NE1-CZ2 3.97Å; W61-W118 AromaticContact NE1-NE1 3.76Å; W61-F120 AromaticContact CD2-CZ 3.89Å; W61-F120 HydrophobicContact CD2-CZ 3.89Å; W61-F120 AromaticContact CE2-CZ 3.89Å; W61-F120 AromaticContact CE3-CZ 3.93Å; W61-F120 HydrophobicContact CE3-CZ 3.93Å; W61-F120 HydrophobicContact CH2-CE2 4.37Å; W61-F120 AromaticContact CH2-CZ 3.93Å; W61-F120 HydrophobicContact CH2-CZ 3.93Å; W61-F120 HydrophobicContact CZ2-CE2 4.02Å; W61-F120 AromaticContact CZ2-CZ 3.93Å; W61-F120 HydrophobicContact CZ2-CZ 3.93Å; W61-F120 AromaticContact CZ3-CZ 3.96Å; W61-F120 HydrophobicContact CZ3-CZ 3.96Å; W61-Q135 WeakPolarHBondContact CA-O 3.35Å; W61-C136 HydrophobicContact CD2-CB 3.91Å; W61-C136 HydrophobicContact CE3-CB 3.94Å; W61-C136 HydrophobicContact CH2-CB 3.93Å; W61-C136 HydrophobicContact CZ2-CB 3.85Å; W61-C136 HydrophobicContact CZ3-CB 3.95Å |
| 62 | T | 88.6 | Confident | 78.3 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.6 | 167.5 | 62.7 | 0 | 0 | 0 | 0 | 110 | Y60 K66 Y134 Q135 I137 | Y60-T62 HydrophobicContact CD2-CG2 4.04Å; Y60-T62 HydrophobicContact CE2-CG2 3.78Å; T62-K66 CarbonylContact C-O 3.6Å; T62-K66 WeakPolarHBondContact CA-O 3.23Å; T62-K66 WeakPolarHBondContact CB-O 3.45Å; T62-Y134 CarbonylContact O-C 3.53Å; T62-Y134 WeakPolarHBondContact O-CA 3.46Å; T62-Q135 PolarHBondContact N-O 3.45Å; T62-Q135 PolarHBondContact O-N 2.81Å; T62-Q135 PolarHBondContact OG1-O 3.08Å; T62-I137 HydrophobicContact CG2-CD1 4.01Å |
| 63 | L | 85.7 | Confident | 78.2 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.8 | 168.2 | 164.7 | 60.8 | 0 | 0 | 0 | 107.9 | G65 K66 A68 W70 K130 L133 Y134 | L63-G65 PolarHBondContact O-N 3.26Å; L63-G65 VanDerWaalsContact O-N 3.13Å; L63-K66 PolarHBondContact N-O 2.94Å; L63-K66 PolarHBondContact O-N 2.73Å; L63-A68 HydrophobicContact CB-CB 4.22Å; L63-W70 HydrophobicContact CD2-CH2 4.03Å; L63-W70 HydrophobicContact CD2-CZ2 3.92Å; L63-K130 HydrophobicContact CD2-CB 3.78Å; L63-L133 CarbonylContact C-O 3.17Å; L63-L133 WeakPolarHBondContact CA-O 3.37Å; L63-Y134 HydrophobicContact CB-CD1 4.06Å; L63-Y134 HydrophobicContact CB-CE1 3.8Å; L63-Y134 HydrophobicContact CD1-CD2 4.06Å; L63-Y134 HydrophobicContact CD1-CE1 4.19Å; L63-Y134 HydrophobicContact CD1-CE2 3.68Å; L63-Y134 HydrophobicContact CD1-CG 4.47Å; L63-Y134 HydrophobicContact CD2-CE1 4.37Å; L63-Y134 HydrophobicContact CG-CE1 4.32Å |
| 64 | N | 84.2 | Confident | 77.9 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 38.4 | -178.5 | -58.1 | -31.9 | 0 | 0 | 0 | 112.1 | K66 L133 | N64-K66 VanDerWaalsContact C-N 3.33Å; N64-K66 PolarHBondContact O-N 3.44Å; N64-L133 PolarHBondContact N-O 3.45Å; N64-L133 PolarHBondContact OD1-N 2.82Å |
| 65 | G | 78.5 | Confident | 77.5 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -2.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | L63 | L63-G65 PolarHBondContact O-N 3.26Å; L63-G65 VanDerWaalsContact O-N 3.13Å |
| 66 | K | 80.9 | Confident | 76.2 | Confident | 170 Ų | 170 | 65.4 Ų | 65.4 | 74% | 0.739 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.7 | 175.2 | -62.8 | -171.8 | 177.8 | -173 | 0 | 111 | T62 L63 N64 A68 | T62-K66 CarbonylContact C-O 3.6Å; T62-K66 WeakPolarHBondContact CA-O 3.23Å; T62-K66 WeakPolarHBondContact CB-O 3.45Å; L63-K66 PolarHBondContact N-O 2.94Å; L63-K66 PolarHBondContact O-N 2.73Å; N64-K66 VanDerWaalsContact C-N 3.33Å; N64-K66 PolarHBondContact O-N 3.44Å; K66-A68 PolarHBondContact O-N 3.25Å |
| 67 | H | 80.5 | Confident | 74.9 | Confident | 65 Ų | 65 | 65 Ų | 65 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 134.6 | -176.3 | -163.7 | -83 | 0 | 0 | 0 | 112.7 | Y60 Y69 | Y60-H67 VanDerWaalsContact CB-NE2 3.29Å; Y60-H67 WeakPolarHBondContact CB-NE2 3.27Å; Y60-H67 AromaticContact CD2-CD2 3.32Å; Y60-H67 WeakPolarHBondContact CD2-CD2 3.03Å; Y60-H67 AromaticContact CD2-NE2 3.54Å; Y60-H67 AromaticContact CE2-CD2 3.93Å; Y60-H67 AromaticContact CG-CD2 3.86Å; Y60-H67 AromaticContact CG-NE2 3.55Å; H67-Y69 HydrophobicContact CB-CD2 4.39Å; H67-Y69 HydrophobicContact CB-CE1 4.43Å; H67-Y69 HydrophobicContact CB-CE2 3.73Å; H67-Y69 AromaticContact CE1-CD1 3.52Å; H67-Y69 AromaticContact CE1-CE1 3.56Å; H67-Y69 AromaticContact CG-CE1 3.89Å; H67-Y69 AromaticContact CG-CZ 3.72Å; H67-Y69 AromaticContact ND1-CD1 3.18Å; H67-Y69 WeakPolarHBondContact ND1-CD1 3.5Å; H67-Y69 AromaticContact ND1-CD2 3.65Å; H67-Y69 AromaticContact ND1-CE1 3.13Å; H67-Y69 WeakPolarHBondContact ND1-CE1 3.4Å; H67-Y69 AromaticContact ND1-CE2 3.6Å; H67-Y69 AromaticContact ND1-CG 3.44Å; H67-Y69 AromaticContact ND1-CZ 3.35Å; H67-Y69 VanDerWaalsContact ND1-CZ 3.35Å; H67-Y69 WeakPolarHBondContact O-CD2 3.03Å |
| 68 | A | 77.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | trans | -111.9 | 73.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W61 L63 K66 W70 I71 Y134 | W61-A68 HydrophobicContact CB-CB 4.27Å; W61-A68 PolarHBondContact O-N 2.71Å; L63-A68 HydrophobicContact CB-CB 4.22Å; K66-A68 PolarHBondContact O-N 3.25Å; A68-W70 HydrophobicContact CB-CH2 3.83Å; A68-W70 HydrophobicContact CB-CZ2 3.84Å; A68-W70 HydrophobicContact CB-CZ3 4.21Å; A68-W70 PolarHBondContact O-N 3.07Å; A68-I71 HydrophobicContact CB-CD1 3.78Å; A68-I71 PolarHBondContact O-N 3.3Å; A68-Y134 HydrophobicContact CB-CE1 4.42Å | ||
| 69 | Y | 70.8 | Confident | 70.4 | Confident | 154 Ų | 154 | 67 Ų | 67 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.4 | -168.8 | -57.1 | -92.1 | 0 | 0 | 0 | 116.6 | H67 | H67-Y69 HydrophobicContact CB-CD2 4.39Å; H67-Y69 HydrophobicContact CB-CE1 4.43Å; H67-Y69 HydrophobicContact CB-CE2 3.73Å; H67-Y69 AromaticContact CE1-CD1 3.52Å; H67-Y69 AromaticContact CE1-CE1 3.56Å; H67-Y69 AromaticContact CG-CE1 3.89Å; H67-Y69 AromaticContact CG-CZ 3.72Å; H67-Y69 AromaticContact ND1-CD1 3.18Å; H67-Y69 WeakPolarHBondContact ND1-CD1 3.5Å; H67-Y69 AromaticContact ND1-CD2 3.65Å; H67-Y69 AromaticContact ND1-CE1 3.13Å; H67-Y69 WeakPolarHBondContact ND1-CE1 3.4Å; H67-Y69 AromaticContact ND1-CE2 3.6Å; H67-Y69 AromaticContact ND1-CG 3.44Å; H67-Y69 AromaticContact ND1-CZ 3.35Å; H67-Y69 VanDerWaalsContact ND1-CZ 3.35Å; H67-Y69 WeakPolarHBondContact O-CD2 3.03Å |
| 70 | W | 70.8 | Confident | 67.8 | Low | 92 Ų | 92 | 74.6 Ų | 74.6 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.1 | -175.8 | 55.9 | 92.3 | 0 | 0 | 0 | 113.9 | L63 A68 H128 Y134 | L63-W70 HydrophobicContact CD2-CH2 4.03Å; L63-W70 HydrophobicContact CD2-CZ2 3.92Å; A68-W70 HydrophobicContact CB-CH2 3.83Å; A68-W70 HydrophobicContact CB-CZ2 3.84Å; A68-W70 HydrophobicContact CB-CZ3 4.21Å; A68-W70 PolarHBondContact O-N 3.07Å; W70-H128 HydrophobicContact CG-CB 4.41Å; W70-Y134 HydrophobicContact CZ2-CE1 4.19Å |
| 71 | I | 75.7 | Confident | 65.3 | Low | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.036 | 41% | 0.406 | C | S | . | . | trans | -84.3 | 126.9 | 179.1 | -61.4 | 158.6 | 0 | 0 | 0 | 108.9 | W61 A68 W118 F120 Y134 | W61-I71 HydrophobicContact CB-CB 4.43Å; W61-I71 HydrophobicContact CB-CD1 3.6Å; W61-I71 HydrophobicContact CD2-CD1 4.38Å; W61-I71 HydrophobicContact CG-CB 4.39Å; W61-I71 HydrophobicContact CG-CD1 3.9Å; W61-I71 HydrophobicContact CG-CG2 3.98Å; A68-I71 HydrophobicContact CB-CD1 3.78Å; A68-I71 PolarHBondContact O-N 3.3Å; I71-W118 HydrophobicContact CG2-CB 4.06Å; I71-W118 HydrophobicContact CG2-CD2 4.38Å; I71-W118 HydrophobicContact CG2-CE3 3.76Å; I71-F120 HydrophobicContact CD1-CD1 3.98Å; I71-F120 HydrophobicContact CD1-CE1 3.36Å; I71-F120 HydrophobicContact CD1-CE2 4.31Å; I71-F120 HydrophobicContact CD1-CZ 3.55Å; I71-F120 HydrophobicContact CG1-CD1 3.96Å; I71-F120 HydrophobicContact CG1-CD2 4.45Å; I71-F120 HydrophobicContact CG1-CE1 3.82Å; I71-F120 HydrophobicContact CG1-CE2 4.29Å; I71-F120 HydrophobicContact CG1-CG 4.28Å; I71-F120 HydrophobicContact CG1-CZ 3.99Å; I71-F120 HydrophobicContact CG2-CD2 3.89Å; I71-F120 HydrophobicContact CG2-CE1 4.47Å; I71-F120 HydrophobicContact CG2-CE2 3.48Å; I71-F120 VanDerWaalsContact CG2-CE2 3.48Å; I71-F120 HydrophobicContact CG2-CZ 3.82Å; I71-Y134 HydrophobicContact CD1-CD1 3.72Å; I71-Y134 HydrophobicContact CD1-CE1 3.77Å | ||
| 72 | K | 73 | Confident | 62.5 | Low | 94 Ų | 94 | 82.5 Ų | 82.5 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.1 | -176.6 | -63.6 | -178.1 | -179.2 | 173 | 0 | 110.7 | W118 Y119 | K72-W118 CarbonylContact O-C 3.5Å; K72-W118 WeakPolarHBondContact O-CA 3.26Å; K72-Y119 PolarHBondContact O-N 2.9Å |
| 73 | P | 73.2 | Confident | 59.4 | Low | 27 Ų | 27 | 85.5 Ų | 85.5 | 18% | 0.175 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 150 | 167.6 | 30.7 | -37.2 | 0 | 0 | 0 | 110 | Y110 I112 L117 W118 | P73-Y110 VanDerWaalsContact CD-CD2 3.49Å; P73-Y110 VanDerWaalsContact CD-CG 3.45Å; P73-Y110 HydrophobicContact CG-CD1 3.64Å; P73-Y110 HydrophobicContact CG-CD2 4.21Å; P73-Y110 HydrophobicContact CG-CE1 4.22Å; P73-Y110 HydrophobicContact CG-CG 3.64Å; P73-I112 HydrophobicContact CB-CG2 3.98Å; P73-L117 WeakPolarHBondContact CA-O 3.31Å; P73-W118 HydrophobicContact CB-CE3 4.5Å |
| 74 | Y | 67.5 | Low | 56.6 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 31% | 0.31 | 48% | 0.477 | S | S | . | . | trans | -74.1 | 148.1 | 159.1 | -177.3 | -133.1 | 0 | 0 | 0 | 109 | F46 T76 L117 | F46-Y74 HydrophobicContact CD1-CD2 4.41Å; F46-Y74 HydrophobicContact CD1-CG 4.11Å; F46-Y74 HydrophobicContact CE1-CD1 4.21Å; F46-Y74 AromaticContact CE1-CD2 3.46Å; F46-Y74 HydrophobicContact CE1-CD2 3.46Å; F46-Y74 VanDerWaalsContact CE1-CD2 3.46Å; F46-Y74 AromaticContact CE1-CE2 3.92Å; F46-Y74 HydrophobicContact CE1-CE2 3.92Å; F46-Y74 AromaticContact CE1-CG 3.6Å; F46-Y74 HydrophobicContact CE1-CG 3.6Å; F46-Y74 HydrophobicContact CZ-CD2 4.22Å; F46-Y74 HydrophobicContact CZ-CE2 4.47Å; Y74-T76 HydrophobicContact CE1-CG2 3.96Å; Y74-L117 HydrophobicContact CD1-CB 4.34Å; Y74-L117 HydrophobicContact CD1-CD1 4.16Å; Y74-L117 PolarHBondContact N-O 3.14Å | ||
| 75 | N | 58.7 | Low | 54 | Low | 71 Ų | 71 | 93.8 Ų | 93.8 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | trans | -145.6 | 118.7 | 174.5 | 176.8 | -3.9 | 0 | 0 | 0 | 107.2 | T77 L78 | N75-T77 PolarHBondContact ND2-OG1 2.75Å; N75-T77 VanDerWaalsContact ND2-OG1 3.12Å; N75-T77 PolarHBondContact O-N 2.82Å; N75-T77 PolarHBondContact OD1-N 3.05Å; N75-T77 VanDerWaalsContact OD1-N 3.1Å; N75-T77 PolarHBondContact OD1-OG1 2.83Å; N75-L78 PolarHBondContact O-N 3.08Å | ||
| 76 | T | 44.8 | Very low | 51.5 | Low | 78 Ų | 78 | 93 Ų | 93 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.7 | -175 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | Y74 L78 S79 | Y74-T76 HydrophobicContact CE1-CG2 3.96Å; T76-L78 PolarHBondContact O-N 2.88Å; T76-S79 PolarHBondContact O-OG 3.41Å |
| 77 | T | 44 | Very low | 49 | Very low | 111 Ų | 111 | 91.3 Ų | 91.3 | 68% | 0.681 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -72.3 | -8.5 | -179.4 | 62 | 0 | 0 | 0 | 0 | 114.6 | N75 | N75-T77 PolarHBondContact ND2-OG1 2.75Å; N75-T77 VanDerWaalsContact ND2-OG1 3.12Å; N75-T77 PolarHBondContact O-N 2.82Å; N75-T77 PolarHBondContact OD1-N 3.05Å; N75-T77 VanDerWaalsContact OD1-N 3.1Å; N75-T77 PolarHBondContact OD1-OG1 2.83Å |
| 78 | L | 36.6 | Very low | 46.4 | Very low | 105 Ų | 105 | 93.3 Ų | 93.3 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -101.5 | 22.8 | -177.5 | -142.2 | 80.5 | 0 | 0 | 0 | 114.1 | N75 T76 Q80 | N75-L78 PolarHBondContact O-N 3.08Å; T76-L78 PolarHBondContact O-N 2.88Å; L78-Q80 PolarHBondContact O-N 3.35Å |
| 79 | S | 29.3 | Very low | 43.9 | Very low | 96 Ų | 96 | 97.8 Ų | 97.8 | 67% | 0.671 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.9 | -170.1 | 44.9 | 0 | 0 | 0 | 0 | 115.5 | T76 | T76-S79 PolarHBondContact O-OG 3.41Š|
| 80 | Q | 30.2 | Very low | 41.9 | Very low | 163 Ų | 163 | 100.2 Ų | 100.2 | 76% | 0.762 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -10 | -175.4 | -71.4 | -177.4 | -32.8 | 0 | 0 | 115.8 | L78 | L78-Q80 PolarHBondContact O-N 3.35Š|
| 81 | E | 32.5 | Very low | 39.8 | Very low | 141 Ų | 141 | 103 Ų | 103 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -100.3 | -2.6 | -175.3 | -67.1 | -169.6 | 143.9 | 0 | 0 | 115.1 | S83 | E81-S83 PolarHBondContact O-N 2.92Š|
| 82 | L | 29.4 | Very low | 37.5 | Very low | 82 Ų | 82 | 107.6 Ų | 107.6 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | trans | -93 | 61.7 | -179 | -82.1 | 161.2 | 0 | 0 | 0 | 112.7 | T1629 | L82-T1629 WeakPolarHBondContact O-CG2 3.09Š| ||
| 83 | S | 23.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -145.2 | 145.4 | 160.7 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | E81 | E81-S83 PolarHBondContact O-N 2.92Š|
| 84 | Y | 27.4 | Very low | 33.2 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 71% | 0.71 | 65% | 0.646 | S | S | * | * | trans | 56 | 94.4 | 176.3 | -55 | -81.4 | 0 | 0 | 0 | 118.5 | ||||
| 85 | S | 28.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | -166.9 | 148.3 | 118.7 | 43.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 86 | T | 25.8 | Very low | 29.6 | Very low | 52 Ų | 52 | 124.9 Ų | 124.9 | 32% | 0.319 | 69% | 0.689 | S | S | . | * | trans | -116.9 | 115.4 | -177.5 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | T1630 M1631 M1632 | T86-T1630 HydrophobicContact CG2-CG2 3.78Å; T86-M1631 HydrophobicContact CG2-CE 3.91Å; T86-M1631 HydrophobicContact CG2-CG 4.46Å; T86-M1632 HydrophobicContact CG2-CE 3.83Å; T86-M1632 HydrophobicContact CG2-SD 4.17Å; T86-M1632 VanDerWaalsContact OG1-CE 3.3Å; T86-M1632 WeakPolarHBondContact OG1-CE 3.11Å | ||
| 87 | D | 28.8 | Very low | 28.8 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -147.1 | 165.6 | 153.3 | -136.6 | -38.2 | 0 | 0 | 0 | 112.4 | K124 | D87-K124 PolarHBondContact O-NZ 2.87Š| ||
| 88 | S | 25.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -153.2 | 103.3 | -171.3 | 54 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 89 | S | 26.4 | Very low | 27.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -150.1 | 168.1 | 166.3 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 90 | F | 28 | Very low | 27 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | trans | 66.7 | 61.5 | -178.8 | -63 | -79.9 | 0 | 0 | 0 | 116.9 | ||||
| 91 | I | 27.1 | Very low | 26.9 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -86 | 143.7 | 155.2 | -69.8 | 173.5 | 0 | 0 | 0 | 109.7 | ||||
| 92 | S | 26.5 | Very low | 26.6 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 59.5 | 126.8 | 162.8 | 71.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 93 | K | 29.9 | Very low | 26.4 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | -154.1 | 156.6 | 103.6 | -108.4 | 168.3 | -175.7 | 175 | 0 | 111.9 | |||||
| 94 | E | 26.4 | Very low | 26.6 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -82.5 | 167.4 | -176.7 | -55.7 | 156.2 | 112.4 | 0 | 0 | 111.4 | ||||
| 95 | G | 26.4 | Very low | 26.6 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 150.8 | 125.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 96 | N | 24.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -63.4 | 134.2 | 166.7 | -61.7 | -45 | 0 | 0 | 0 | 110.5 | ||||
| 97 | T | 28.5 | Very low | 26.8 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 64% | 0.638 | 77% | 0.773 | S | S | * | * | trans | -164.9 | 140.1 | 142.7 | 5.1 | 0 | 0 | 0 | 0 | 110.9 | Y99 | T97-Y99 VanDerWaalsContact CB-CE2 3.48Å; T97-Y99 HydrophobicContact CG2-CD2 4.24Å; T97-Y99 HydrophobicContact CG2-CE2 3.61Å | ||
| 98 | E | 23.4 | Very low | 27.1 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -78.3 | 117.5 | 162.8 | -65.2 | -179.9 | 112.3 | 0 | 0 | 108.5 | ||||
| 99 | Y | 25.8 | Very low | 27.9 | Very low | 188 Ų | 188 | 143 Ų | 143 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | trans | -126.4 | 119.9 | 167 | -82.3 | -67.6 | 0 | 0 | 0 | 111 | T97 L101 | T97-Y99 VanDerWaalsContact CB-CE2 3.48Å; T97-Y99 HydrophobicContact CG2-CD2 4.24Å; T97-Y99 HydrophobicContact CG2-CE2 3.61Å; Y99-L101 PolarHBondContact O-N 2.99Å | ||
| 100 | Q | 23.1 | Very low | 29.1 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -68.7 | 121.9 | 164.3 | -64.8 | 174.6 | -16.5 | 0 | 0 | 108.1 | ||||
| 101 | L | 26.9 | Very low | 30.2 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | trans | -114.1 | 130.2 | 169.6 | -92.4 | 163.6 | 0 | 0 | 0 | 109.9 | Y99 | Y99-L101 PolarHBondContact O-N 2.99Š| ||
| 102 | H | 26 | Very low | 31.5 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -86.4 | 148.5 | -173.2 | -109.1 | -96.3 | 0 | 0 | 0 | 111.6 | ||||
| 103 | S | 25.5 | Very low | 32.8 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 8.9 | 132.9 | 150.5 | 55.3 | 0 | 0 | 0 | 0 | 119.7 | ||
| 104 | N | 27.5 | Very low | 34 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | 108.8 | 35.4 | 160.6 | -56.9 | -2.8 | 0 | 0 | 0 | 117.9 | ||||
| 105 | D | 27.8 | Very low | 35.3 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | trans | -123.9 | 125.5 | 151.1 | -106.3 | -51.5 | 0 | 0 | 0 | 110.8 | H107 | D105-H107 VanDerWaalsContact C-N 3.26Å; D105-H107 PolarHBondContact O-N 3.28Å; D105-H107 VanDerWaalsContact O-N 3.07Å | ||
| 106 | S | 28.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | trans | -86.4 | 62 | -177.7 | 56 | 0 | 0 | 0 | 0 | 111.2 | N108 | S106-N108 PolarHBondContact O-N 2.9Š| ||
| 107 | H | 31.6 | Very low | 39.9 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | trans | -67.3 | 101.4 | -173.4 | -69.7 | -38.6 | 0 | 0 | 0 | 113.7 | D105 L109 | D105-H107 VanDerWaalsContact C-N 3.26Å; D105-H107 PolarHBondContact O-N 3.28Å; D105-H107 VanDerWaalsContact O-N 3.07Å; H107-L109 PolarHBondContact O-N 3.46Å | ||
| 108 | N | 35 | Very low | 42.4 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | trans | 51 | 64.5 | 147.9 | -58.2 | -7.1 | 0 | 0 | 0 | 116.4 | S106 Y110 | S106-N108 PolarHBondContact O-N 2.9Å; N108-Y110 HydrophobicContact CB-CE2 4.05Å | ||
| 109 | L | 42 | Very low | 44.9 | Very low | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | trans | -91.8 | 107.1 | 165 | -72.3 | 156.8 | 0 | 0 | 0 | 109.2 | R58 H107 | R58-L109 HydrophobicContact CB-CB 4.48Å; R58-L109 HydrophobicContact CB-CD2 4.11Å; H107-L109 PolarHBondContact O-N 3.46Å | ||
| 110 | Y | 49.8 | Very low | 47.2 | Very low | 60 Ų | 60 | 87.8 Ų | 87.8 | 24% | 0.235 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 135.7 | -177.2 | -54.8 | -85.7 | 0 | 0 | 0 | 112.4 | P73 N108 W118 | P73-Y110 VanDerWaalsContact CD-CD2 3.49Å; P73-Y110 VanDerWaalsContact CD-CG 3.45Å; P73-Y110 HydrophobicContact CG-CD1 3.64Å; P73-Y110 HydrophobicContact CG-CD2 4.21Å; P73-Y110 HydrophobicContact CG-CE1 4.22Å; P73-Y110 HydrophobicContact CG-CG 3.64Å; N108-Y110 HydrophobicContact CB-CE2 4.05Å; Y110-W118 HydrophobicContact CD2-CH2 4.48Å; Y110-W118 HydrophobicContact CD2-CZ3 4.24Å |
| 111 | T | 52.4 | Low | 49 | Very low | 99 Ų | 99 | 80 Ų | 80 | 61% | 0.607 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 131.5 | 150.9 | 45.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 112 | I | 54.6 | Low | 50.2 | Low | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 146.7 | -177.6 | -34.9 | 166.2 | 0 | 0 | 0 | 109.2 | C49 Y59 P73 W118 | C49-I112 WeakPolarHBondContact O-CD1 3.35Å; Y59-I112 HydrophobicContact CD1-CD1 3.98Å; Y59-I112 HydrophobicContact CD2-CD1 3.6Å; Y59-I112 HydrophobicContact CD2-CG1 3.67Å; Y59-I112 HydrophobicContact CE1-CD1 3.95Å; Y59-I112 HydrophobicContact CE2-CD1 3.58Å; Y59-I112 HydrophobicContact CE2-CG1 3.72Å; Y59-I112 HydrophobicContact CG-CD1 3.79Å; Y59-I112 HydrophobicContact CG-CG1 4.27Å; P73-I112 HydrophobicContact CB-CG2 3.98Å; I112-W118 HydrophobicContact CD1-CZ2 3.52Å; I112-W118 HydrophobicContact CG1-CZ2 4.05Å |
| 113 | D | 52.3 | Low | 51.3 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 173.3 | 163.3 | 66.1 | 28.3 | 0 | 0 | 0 | 112.4 | S115 G116 | D113-S115 PolarHBondContact O-N 3.39Å; D113-S115 VanDerWaalsContact O-N 3.08Å; D113-S115 WeakPolarHBondContact OD1-CA 3.49Å; D113-S115 WeakPolarHBondContact OD1-CB 3.34Å; D113-S115 PolarHBondContact OD1-N 2.77Å; D113-S115 PolarHBondContact OD1-OG 2.85Å; D113-G116 PolarHBondContact O-N 2.83Å |
| 114 | E | 55 | Low | 52.2 | Low | 161 Ų | 161 | 76 Ų | 76 | 75% | 0.752 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.6 | -179.8 | -59.6 | -162.5 | 140.2 | 0 | 0 | 113.8 | K31 G116 | K31-E114 PolarHBondContact NZ-O 3.39Å; E114-G116 VanDerWaalsContact C-N 3.31Å; E114-G116 PolarHBondContact O-N 3.37Å |
| 115 | S | 54.2 | Low | 52.9 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -38.7 | 174.8 | 84.9 | 0 | 0 | 0 | 0 | 110.8 | K31 D113 L117 | K31-S115 PolarHBondContact NZ-O 2.9Å; D113-S115 PolarHBondContact O-N 3.39Å; D113-S115 VanDerWaalsContact O-N 3.08Å; D113-S115 WeakPolarHBondContact OD1-CA 3.49Å; D113-S115 WeakPolarHBondContact OD1-CB 3.34Å; D113-S115 PolarHBondContact OD1-N 2.77Å; D113-S115 PolarHBondContact OD1-OG 2.85Å; S115-L117 PolarHBondContact O-N 2.89Å; S115-L117 PolarHBondContact OG-N 3.07Å |
| 116 | G | 69.1 | Low | 53.9 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | 64.6 | 17.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P48 C49 D113 E114 | P48-G116 CarbonylContact C-O 3.37Å; P48-G116 WeakPolarHBondContact CA-O 3.19Å; C49-G116 CarbonylContact C-O 3.46Å; C49-G116 PolarHBondContact N-O 2.82Å; D113-G116 PolarHBondContact O-N 2.83Å; E114-G116 VanDerWaalsContact C-N 3.31Å; E114-G116 PolarHBondContact O-N 3.37Å | ||
| 117 | L | 79.1 | Confident | 55.1 | Low | 43 Ų | 43 | 69.3 Ų | 69.3 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 144.8 | -177 | -72.4 | 171.7 | 0 | 0 | 0 | 111.5 | P48 P73 Y74 S115 | P48-L117 HydrophobicContact CB-CD2 4.34Å; P73-L117 WeakPolarHBondContact CA-O 3.31Å; Y74-L117 HydrophobicContact CD1-CB 4.34Å; Y74-L117 HydrophobicContact CD1-CD1 4.16Å; Y74-L117 PolarHBondContact N-O 3.14Å; S115-L117 PolarHBondContact O-N 2.89Å; S115-L117 PolarHBondContact OG-N 3.07Å |
| 118 | W | 81.4 | Confident | 56.4 | Low | 3 Ų | 3 | 68.9 Ų | 68.9 | 1% | 0.011 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.8 | 178.9 | -67.5 | 83 | 0 | 0 | 0 | 111.9 | F46 I47 C49 Y59 W61 I71 K72 P73 Y110 I112 F120 | F46-W118 CarbonylContact C-O 3.52Å; F46-W118 WeakPolarHBondContact CA-O 3.14Å; I47-W118 PolarHBondContact N-O 2.88Å; I47-W118 WeakPolarHBondContact O-CB 3.07Å; I47-W118 PolarHBondContact O-N 3.23Å; C49-W118 PolarHBondContact O-NE1 2.87Å; C49-W118 VanDerWaalsContact O-NE1 3.09Å; Y59-W118 VanDerWaalsContact CB-CZ2 3.41Å; Y59-W118 HydrophobicContact CD1-CZ2 4.45Å; Y59-W118 AromaticContact CG-CZ2 4Å; Y59-W118 HydrophobicContact CG-CZ2 4Å; W61-W118 AromaticContact CD1-CD2 3.76Å; W61-W118 AromaticContact CD1-CE3 3.66Å; W61-W118 AromaticContact CD1-CZ3 3.85Å; W61-W118 HydrophobicContact CZ2-CB 4.45Å; W61-W118 HydrophobicContact CZ2-CG 4.26Å; W61-W118 AromaticContact NE1-CD1 3.7Å; W61-W118 AromaticContact NE1-CD2 3.13Å; W61-W118 AromaticContact NE1-CE2 3.4Å; W61-W118 AromaticContact NE1-CE3 3.54Å; W61-W118 AromaticContact NE1-CG 3.31Å; W61-W118 VanDerWaalsContact NE1-CG 3.31Å; W61-W118 AromaticContact NE1-CZ2 3.97Å; W61-W118 AromaticContact NE1-NE1 3.76Å; I71-W118 HydrophobicContact CG2-CB 4.06Å; I71-W118 HydrophobicContact CG2-CD2 4.38Å; I71-W118 HydrophobicContact CG2-CE3 3.76Å; K72-W118 CarbonylContact O-C 3.5Å; K72-W118 WeakPolarHBondContact O-CA 3.26Å; P73-W118 HydrophobicContact CB-CE3 4.5Å; Y110-W118 HydrophobicContact CD2-CH2 4.48Å; Y110-W118 HydrophobicContact CD2-CZ3 4.24Å; I112-W118 HydrophobicContact CD1-CZ2 3.52Å; I112-W118 HydrophobicContact CG1-CZ2 4.05Å; W118-F120 HydrophobicContact CB-CD2 4.4Å; W118-F120 HydrophobicContact CB-CE2 3.94Å |
| 119 | Y | 75.2 | Confident | 57.7 | Low | 39 Ų | 39 | 65.3 Ų | 65.3 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.1 | 179.2 | 179.6 | -90.9 | 0 | 0 | 0 | 112.2 | P44 F46 K72 G121 I122 T1627 | P44-Y119 HydrophobicContact CB-CD2 4.39Å; P44-Y119 HydrophobicContact CB-CE2 3.76Å; P44-Y119 HydrophobicContact CG-CE2 4.46Å; F46-Y119 HydrophobicContact CD2-CD2 4.11Å; F46-Y119 HydrophobicContact CE1-CD2 4.39Å; F46-Y119 AromaticContact CE2-CD2 3.33Å; F46-Y119 HydrophobicContact CE2-CD2 3.33Å; F46-Y119 AromaticContact CE2-CE2 3.86Å; F46-Y119 HydrophobicContact CE2-CE2 3.86Å; F46-Y119 HydrophobicContact CE2-CG 4.33Å; F46-Y119 AromaticContact CZ-CD2 3.53Å; F46-Y119 HydrophobicContact CZ-CD2 3.53Å; F46-Y119 HydrophobicContact CZ-CE2 4.21Å; K72-Y119 PolarHBondContact O-N 2.9Å; Y119-G121 VanDerWaalsContact CE1-C 3.48Å; Y119-G121 VanDerWaalsContact CE1-CA 3.47Å; Y119-G121 VanDerWaalsContact CE1-O 3.31Å; Y119-G121 WeakPolarHBondContact CE1-O 3.45Å; Y119-G121 VanDerWaalsContact CZ-CA 3.48Å; Y119-G121 VanDerWaalsContact OH-C 3.31Å; Y119-I122 PolarHBondContact OH-N 3.34Å; Y119-T1627 HydrophobicContact CE2-CG2 4.21Å |
| 120 | F | 74.8 | Confident | 59.1 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 74.6 | 170.2 | -67.2 | -123.6 | 0 | 0 | 0 | 108.5 | I39 L45 I47 W61 I71 W118 Y134 L152 | I39-F120 WeakPolarHBondContact CD1-O 3.33Å; L45-F120 HydrophobicContact CB-CB 4.31Å; L45-F120 PolarHBondContact N-O 2.86Å; L45-F120 CarbonylContact O-C 3.49Å; L45-F120 WeakPolarHBondContact O-CA 3.46Å; L45-F120 VanDerWaalsContact O-CB 3.3Å; L45-F120 WeakPolarHBondContact O-CB 3.3Å; L45-F120 PolarHBondContact O-N 3.16Å; I47-F120 HydrophobicContact CB-CD2 4.17Å; I47-F120 HydrophobicContact CB-CE2 3.77Å; I47-F120 HydrophobicContact CB-CZ 4.43Å; I47-F120 HydrophobicContact CD1-CD1 4.01Å; I47-F120 HydrophobicContact CD1-CD2 3.71Å; I47-F120 HydrophobicContact CD1-CE1 3.91Å; I47-F120 HydrophobicContact CD1-CE2 3.62Å; I47-F120 HydrophobicContact CD1-CG 3.93Å; I47-F120 HydrophobicContact CD1-CZ 3.72Å; I47-F120 HydrophobicContact CG1-CD2 3.67Å; I47-F120 HydrophobicContact CG1-CE2 3.7Å; I47-F120 HydrophobicContact CG1-CG 4.28Å; I47-F120 HydrophobicContact CG1-CZ 4.3Å; W61-F120 AromaticContact CD2-CZ 3.89Å; W61-F120 HydrophobicContact CD2-CZ 3.89Å; W61-F120 AromaticContact CE2-CZ 3.89Å; W61-F120 AromaticContact CE3-CZ 3.93Å; W61-F120 HydrophobicContact CE3-CZ 3.93Å; W61-F120 HydrophobicContact CH2-CE2 4.37Å; W61-F120 AromaticContact CH2-CZ 3.93Å; W61-F120 HydrophobicContact CH2-CZ 3.93Å; W61-F120 HydrophobicContact CZ2-CE2 4.02Å; W61-F120 AromaticContact CZ2-CZ 3.93Å; W61-F120 HydrophobicContact CZ2-CZ 3.93Å; W61-F120 AromaticContact CZ3-CZ 3.96Å; W61-F120 HydrophobicContact CZ3-CZ 3.96Å; I71-F120 HydrophobicContact CD1-CD1 3.98Å; I71-F120 HydrophobicContact CD1-CE1 3.36Å; I71-F120 HydrophobicContact CD1-CE2 4.31Å; I71-F120 HydrophobicContact CD1-CZ 3.55Å; I71-F120 HydrophobicContact CG1-CD1 3.96Å; I71-F120 HydrophobicContact CG1-CD2 4.45Å; I71-F120 HydrophobicContact CG1-CE1 3.82Å; I71-F120 HydrophobicContact CG1-CE2 4.29Å; I71-F120 HydrophobicContact CG1-CG 4.28Å; I71-F120 HydrophobicContact CG1-CZ 3.99Å; I71-F120 HydrophobicContact CG2-CD2 3.89Å; I71-F120 HydrophobicContact CG2-CE1 4.47Å; I71-F120 HydrophobicContact CG2-CE2 3.48Å; I71-F120 VanDerWaalsContact CG2-CE2 3.48Å; I71-F120 HydrophobicContact CG2-CZ 3.82Å; W118-F120 HydrophobicContact CB-CD2 4.4Å; W118-F120 HydrophobicContact CB-CE2 3.94Å; F120-Y134 AromaticContact CE1-CD1 3.73Å; F120-Y134 HydrophobicContact CE1-CD1 3.73Å; F120-Y134 HydrophobicContact CE1-CE1 4.04Å; F120-Y134 HydrophobicContact CE1-CG 4.03Å; F120-L152 HydrophobicContact CD1-CD2 4.48Å |
| 121 | G | 60.6 | Low | 60.4 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | trans | -142.1 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y119 | Y119-G121 VanDerWaalsContact CE1-C 3.48Å; Y119-G121 VanDerWaalsContact CE1-CA 3.47Å; Y119-G121 VanDerWaalsContact CE1-O 3.31Å; Y119-G121 WeakPolarHBondContact CE1-O 3.45Å; Y119-G121 VanDerWaalsContact CZ-CA 3.48Å; Y119-G121 VanDerWaalsContact OH-C 3.31Å | ||
| 122 | I | 52.3 | Low | 61.9 | Low | 64 Ų | 64 | 63.9 Ų | 63.9 | 33% | 0.328 | 34% | 0.338 | S | S | . | . | trans | -105.7 | 92.9 | -167 | -51.1 | -179.7 | 0 | 0 | 0 | 112.1 | P41 Y119 K124 L129 | P41-I122 WeakPolarHBondContact O-CD1 3.22Å; Y119-I122 PolarHBondContact OH-N 3.34Å; I122-K124 PolarHBondContact O-N 3.37Å; I122-L129 HydrophobicContact CD1-CD2 4.46Å | ||
| 123 | Q | 49.7 | Very low | 63.5 | Low | 133 Ų | 133 | 67.2 Ų | 67.2 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.4 | 102.5 | 148.6 | -74.3 | -173.4 | -46.5 | 0 | 0 | 107.9 | ||
| 124 | K | 43.7 | Very low | 65.2 | Low | 143 Ų | 143 | 64.7 Ų | 64.7 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 30.8 | 91 | 175.4 | -78.8 | 178.4 | 171.9 | 167.9 | 0 | 115.5 | D87 I122 | D87-K124 PolarHBondContact O-NZ 2.87Å; I122-K124 PolarHBondContact O-N 3.37Å |
| 125 | I | 41.8 | Very low | 66.8 | Low | 102 Ų | 102 | 59 Ų | 59 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | trans | 138.9 | 122 | 155.7 | -75.6 | 156.1 | 0 | 0 | 0 | 110.9 | S127 | I125-S127 VanDerWaalsContact C-N 3.33Å; I125-S127 WeakPolarHBondContact CG2-OG 3.48Å; I125-S127 PolarHBondContact O-N 2.76Å | ||
| 126 | S | 49.6 | Very low | 68.6 | Low | 92 Ų | 92 | 57.5 Ų | 57.5 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -76.7 | -6.8 | -178.2 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | H128 L129 | S126-H128 VanDerWaalsContact C-N 3.3Å; S126-H128 PolarHBondContact O-N 3.44Å; S126-L129 PolarHBondContact O-N 3.46Å |
| 127 | S | 52.7 | Low | 69.5 | Low | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -73.4 | -14.6 | -171.5 | 71.4 | 0 | 0 | 0 | 0 | 115.5 | I125 K130 | I125-S127 VanDerWaalsContact C-N 3.33Å; I125-S127 WeakPolarHBondContact CG2-OG 3.48Å; I125-S127 PolarHBondContact O-N 2.76Å; S127-K130 WeakPolarHBondContact O-CE 3.49Å |
| 128 | H | 58.5 | Low | 69.9 | Low | 102 Ų | 102 | 55.9 Ų | 55.9 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -88 | -25.5 | 178.8 | -63.4 | -77.5 | 0 | 0 | 0 | 113 | W70 S126 K130 | W70-H128 HydrophobicContact CG-CB 4.41Å; S126-H128 VanDerWaalsContact C-N 3.3Å; S126-H128 PolarHBondContact O-N 3.44Å; H128-K130 PolarHBondContact O-N 3Å |
| 129 | L | 63.6 | Low | 70.1 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | trans | -78.6 | 87.4 | -179.8 | -174.4 | 69.6 | 0 | 0 | 0 | 110.5 | I39 I122 S126 L152 V154 | I39-L129 HydrophobicContact CD1-CD1 3.73Å; I39-L129 HydrophobicContact CD1-CD2 3.8Å; I39-L129 HydrophobicContact CD1-CG 4.4Å; I39-L129 HydrophobicContact CG1-CD2 4.23Å; I39-L129 HydrophobicContact CG2-CD1 4.3Å; I39-L129 HydrophobicContact CG2-CD2 3.87Å; I39-L129 HydrophobicContact CG2-CG 4.33Å; I122-L129 HydrophobicContact CD1-CD2 4.46Å; S126-L129 PolarHBondContact O-N 3.46Å; L129-L152 HydrophobicContact CD1-CD2 4.03Å; L129-V154 HydrophobicContact CD2-CG2 4.42Å | ||
| 130 | K | 70 | Confident | 70.2 | Confident | 124 Ų | 124 | 57 Ų | 57 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | trans | -101.9 | 138.7 | -177.3 | -68.1 | 177.4 | -177 | 178.1 | 0 | 111.2 | L63 S127 H128 Y134 | L63-K130 HydrophobicContact CD2-CB 3.78Å; S127-K130 WeakPolarHBondContact O-CE 3.49Å; H128-K130 PolarHBondContact O-N 3Å; K130-Y134 VanDerWaalsContact O-CE2 3.25Å; K130-Y134 WeakPolarHBondContact O-CE2 3.49Å; K130-Y134 PolarHBondContact O-OH 3.37Å | ||
| 131 | T | 78.5 | Confident | 70.2 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | trans | -69.1 | 147.4 | 171 | 54.8 | 0 | 0 | 0 | 0 | 111 | L152 V154 | T131-L152 VanDerWaalsContact CA-O 3.27Å; T131-L152 WeakPolarHBondContact CA-O 3.29Å; T131-L152 WeakPolarHBondContact CB-O 3.22Å; T131-V154 HydrophobicContact CG2-CB 4.21Å; T131-V154 HydrophobicContact CG2-CG2 3.81Å | ||
| 132 | G | 84.2 | Confident | 70.7 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | -168.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L152 | G132-L152 PolarHBondContact N-O 3.24Å; G132-L152 VanDerWaalsContact N-O 3.1Å; G132-L152 PolarHBondContact O-N 3.37Å |
| 133 | L | 86.7 | Confident | 71.8 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 105.1 | -179.5 | -67.3 | 170.2 | 0 | 0 | 0 | 110.3 | L63 N64 L150 K151 | L63-L133 CarbonylContact C-O 3.17Å; L63-L133 WeakPolarHBondContact CA-O 3.37Å; N64-L133 PolarHBondContact N-O 3.45Å; N64-L133 PolarHBondContact OD1-N 2.82Å; L133-L150 CarbonylContact C-O 3.53Å; L133-L150 VanDerWaalsContact CA-O 3.29Å; L133-L150 WeakPolarHBondContact CA-O 2.98Å; L133-K151 HydrophobicContact CD2-CB 4.04Å; L133-K151 HydrophobicContact CD2-CG 4.29Å |
| 134 | Y | 89.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.8 | 171.7 | -71.4 | -93.4 | 0 | 0 | 0 | 110.6 | T62 L63 A68 W70 I71 F120 K130 P149 L150 L152 | T62-Y134 CarbonylContact O-C 3.53Å; T62-Y134 WeakPolarHBondContact O-CA 3.46Å; L63-Y134 HydrophobicContact CB-CD1 4.06Å; L63-Y134 HydrophobicContact CB-CE1 3.8Å; L63-Y134 HydrophobicContact CD1-CD2 4.06Å; L63-Y134 HydrophobicContact CD1-CE1 4.19Å; L63-Y134 HydrophobicContact CD1-CE2 3.68Å; L63-Y134 HydrophobicContact CD1-CG 4.47Å; L63-Y134 HydrophobicContact CD2-CE1 4.37Å; L63-Y134 HydrophobicContact CG-CE1 4.32Å; A68-Y134 HydrophobicContact CB-CE1 4.42Å; W70-Y134 HydrophobicContact CZ2-CE1 4.19Å; I71-Y134 HydrophobicContact CD1-CD1 3.72Å; I71-Y134 HydrophobicContact CD1-CE1 3.77Å; F120-Y134 AromaticContact CE1-CD1 3.73Å; F120-Y134 HydrophobicContact CE1-CD1 3.73Å; F120-Y134 HydrophobicContact CE1-CE1 4.04Å; F120-Y134 HydrophobicContact CE1-CG 4.03Å; K130-Y134 VanDerWaalsContact O-CE2 3.25Å; K130-Y134 WeakPolarHBondContact O-CE2 3.49Å; K130-Y134 PolarHBondContact O-OH 3.37Å; Y134-P149 CarbonylContact O-C 3.55Å; Y134-P149 WeakPolarHBondContact O-CA 3.33Å; Y134-L150 PolarHBondContact N-O 3.01Å; Y134-L150 PolarHBondContact O-N 2.81Å; Y134-L152 HydrophobicContact CD2-CB 3.6Å; Y134-L152 HydrophobicContact CD2-CD2 4.06Å; Y134-L152 HydrophobicContact CD2-CG 4.48Å; Y134-L152 HydrophobicContact CE2-CB 3.62Å; Y134-L152 HydrophobicContact CE2-CD2 3.46Å; Y134-L152 VanDerWaalsContact CE2-CD2 3.46Å; Y134-L152 HydrophobicContact CE2-CG 4.17Å |
| 135 | Q | 89.2 | Confident | 75.5 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.4 | 177.2 | -166.9 | 177.1 | 25.3 | 0 | 0 | 110.5 | W61 T62 S147 P149 | W61-Q135 WeakPolarHBondContact CA-O 3.35Å; T62-Q135 PolarHBondContact N-O 3.45Å; T62-Q135 PolarHBondContact O-N 2.81Å; T62-Q135 PolarHBondContact OG1-O 3.08Å; Q135-S147 PolarHBondContact NE2-O 2.94Å; Q135-P149 HydrophobicContact CB-CB 4.34Å; Q135-P149 HydrophobicContact CG-CB 4.41Å |
| 136 | C | 90.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.7 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | C49 W61 S147 | C49-C136 HydrophobicContact CB-CB 3.75Å; C49-C136 WeakPolarHBondContact CB-SG 3.26Å; C49-C136 WeakPolarHBondContact SG-CB 3.33Å; C49-C136 CovalentContact SG-SG 2.03Å; C49-C136 PolarHBondContact SG-SG 3.1Å; W61-C136 HydrophobicContact CD2-CB 3.91Å; W61-C136 HydrophobicContact CE3-CB 3.94Å; W61-C136 HydrophobicContact CH2-CB 3.93Å; W61-C136 HydrophobicContact CZ2-CB 3.85Å; W61-C136 HydrophobicContact CZ3-CB 3.95Å; C136-S147 PolarHBondContact N-OG 3.22Å; C136-S147 WeakPolarHBondContact O-CB 3.46Å; C136-S147 PolarHBondContact O-N 3Å; C136-S147 PolarHBondContact O-OG 3.04Å |
| 137 | I | 88.8 | Confident | 79.5 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.1 | -176.2 | -56.7 | -174.1 | 0 | 0 | 0 | 108.5 | Y59 Y60 T62 I139 K144 L146 | Y59-I137 WeakPolarHBondContact CA-O 3.49Å; Y60-I137 HydrophobicContact CD1-CB 4.33Å; Y60-I137 HydrophobicContact CD2-CB 4.41Å; Y60-I137 HydrophobicContact CE1-CB 3.91Å; Y60-I137 HydrophobicContact CE1-CG2 3.75Å; Y60-I137 HydrophobicContact CE2-CB 4.01Å; Y60-I137 HydrophobicContact CE2-CD1 3.78Å; Y60-I137 HydrophobicContact CE2-CG1 4.26Å; Y60-I137 HydrophobicContact CE2-CG2 4.41Å; Y60-I137 PolarHBondContact N-O 2.7Å; Y60-I137 PolarHBondContact O-N 3.12Å; T62-I137 HydrophobicContact CG2-CD1 4.01Å; I137-I139 HydrophobicContact CG2-CD1 4.13Å; I137-I139 HydrophobicContact CG2-CG1 3.9Å; I137-K144 HydrophobicContact CG2-CD 4.46Å; I137-K144 HydrophobicContact CG2-CG 4.02Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 3.66Å; I137-L146 HydrophobicContact CG1-CD2 3.71Å; I137-L146 HydrophobicContact CG2-CD2 4.05Å |
| 138 | A | 87 | Confident | 81 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P27 F29 A51 P57 Y59 A145 | P27-A138 HydrophobicContact CB-CB 3.69Å; P27-A138 HydrophobicContact CG-CB 4.44Å; P27-A138 WeakPolarHBondContact CG-O 3.26Å; F29-A138 HydrophobicContact CE1-CB 3.89Å; F29-A138 HydrophobicContact CE2-CB 4.47Å; F29-A138 HydrophobicContact CZ-CB 3.69Å; A51-A138 HydrophobicContact CB-CB 3.88Å; P57-A138 HydrophobicContact CB-CB 4.07Å; Y59-A138 HydrophobicContact CD1-CB 4Å; Y59-A138 HydrophobicContact CE1-CB 4.03Å; A138-A145 PolarHBondContact N-O 2.97Å; A138-A145 VanDerWaalsContact N-O 3.09Å; A138-A145 PolarHBondContact O-N 3.28Å |
| 139 | I | 85.6 | Confident | 82.4 | Confident | 55 Ų | 55 | 36.4 Ų | 36.4 | 28% | 0.282 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130 | -175.7 | -53.6 | -167.3 | 0 | 0 | 0 | 110.9 | P57 R58 Y60 I137 G143 K144 | P57-I139 CarbonylContact C-O 3.32Å; P57-I139 WeakPolarHBondContact CA-O 3.12Å; R58-I139 PolarHBondContact N-O 3.48Å; R58-I139 PolarHBondContact O-N 3.36Å; Y60-I139 HydrophobicContact CE1-CD1 3.66Å; Y60-I139 HydrophobicContact CE1-CG1 4.1Å; I137-I139 HydrophobicContact CG2-CD1 4.13Å; I137-I139 HydrophobicContact CG2-CG1 3.9Å; I139-G143 WeakPolarHBondContact CA-O 3.35Å; I139-K144 HydrophobicContact CD1-CB 4.01Å; I139-K144 HydrophobicContact CD1-CD 3.82Å; I139-K144 HydrophobicContact CD1-CG 3.86Å; I139-K144 HydrophobicContact CG1-CB 3.91Å; I139-K144 HydrophobicContact CG1-CD 4.47Å; I139-K144 HydrophobicContact CG1-CG 3.95Å |
| 140 | N | 76.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 177.5 | 160.9 | 86.7 | -8.6 | 0 | 0 | 0 | 109.5 | H25 P27 A53 P55 F142 G143 | H25-N140 PolarHBondContact O-ND2 3.17Å; H25-N140 VanDerWaalsContact O-ND2 3.07Å; P27-N140 HydrophobicContact CG-CB 4.24Å; A53-N140 HydrophobicContact CB-CB 4.25Å; A53-N140 WeakPolarHBondContact CB-ND2 3.45Å; P55-N140 WeakPolarHBondContact O-CB 3.34Å; P55-N140 PolarHBondContact O-ND2 2.92Å; N140-F142 PolarHBondContact O-N 3.46Å; N140-F142 WeakPolarHBondContact OD1-CA 3.29Å; N140-F142 PolarHBondContact OD1-N 2.87Å; N140-G143 PolarHBondContact N-O 3.39Å; N140-G143 PolarHBondContact O-N 2.92Å; N140-G143 PolarHBondContact OD1-N 2.92Å |
| 141 | P | 76 | Confident | 84.3 | Confident | 105 Ų | 105 | 33.3 Ų | 33.3 | 68% | 0.682 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -9.5 | -177.5 | -24.3 | 35.2 | 0 | 0 | 0 | 115.7 | P55 | P55-P141 HydrophobicContact CG-CG 4.13Š|
| 142 | F | 71 | Confident | 84.6 | Confident | 86 Ų | 86 | 29.4 Ų | 29.4 | 38% | 0.377 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -0.5 | -173.5 | -54.5 | -81.1 | 0 | 0 | 0 | 113.3 | V24 P55 N140 | V24-F142 HydrophobicContact CG1-CB 4.02Å; V24-F142 HydrophobicContact CG1-CD1 3.52Å; V24-F142 HydrophobicContact CG1-CD2 3.32Å; V24-F142 HydrophobicContact CG1-CE1 3.71Å; V24-F142 HydrophobicContact CG1-CE2 3.52Å; V24-F142 HydrophobicContact CG1-CG 3.31Å; V24-F142 HydrophobicContact CG1-CZ 3.71Å; V24-F142 HydrophobicContact CG2-CE2 4.49Å; V24-F142 HydrophobicContact CG2-CZ 4.38Å; P55-F142 HydrophobicContact CG-CE2 4.36Å; N140-F142 PolarHBondContact O-N 3.46Å; N140-F142 WeakPolarHBondContact OD1-CA 3.29Å; N140-F142 PolarHBondContact OD1-N 2.87Å |
| 143 | G | 76.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P27 I139 N140 | P27-G143 WeakPolarHBondContact CD-O 3.48Å; P27-G143 WeakPolarHBondContact CG-O 3.48Å; I139-G143 WeakPolarHBondContact CA-O 3.35Å; N140-G143 PolarHBondContact N-O 3.39Å; N140-G143 PolarHBondContact O-N 2.92Å; N140-G143 PolarHBondContact OD1-N 2.92Å |
| 144 | K | 86.1 | Confident | 84.6 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.5 | 169.2 | 162.6 | 177.3 | 157.5 | -130.3 | 0 | 108.1 | I137 I139 N435 G436 E437 | I137-K144 HydrophobicContact CG2-CD 4.46Å; I137-K144 HydrophobicContact CG2-CG 4.02Å; I139-K144 HydrophobicContact CD1-CB 4.01Å; I139-K144 HydrophobicContact CD1-CD 3.82Å; I139-K144 HydrophobicContact CD1-CG 3.86Å; I139-K144 HydrophobicContact CG1-CB 3.91Å; I139-K144 HydrophobicContact CG1-CD 4.47Å; I139-K144 HydrophobicContact CG1-CG 3.95Å; K144-N435 HydrophobicContact CB-CB 4.34Å; K144-N435 VanDerWaalsContact CD-O 3.26Å; K144-N435 WeakPolarHBondContact CD-O 3.3Å; K144-N435 WeakPolarHBondContact CG-O 3.43Å; K144-N435 PolarHBondContact NZ-O 2.83Å; K144-N435 CarbonylContact O-C 3.53Å; K144-N435 WeakPolarHBondContact O-CA 3.45Å; K144-G436 PolarHBondContact NZ-O 2.88Å; K144-E437 IonicContact NZ-OE1 3.75Å; K144-E437 PolarHBondContact NZ-OE1 2.87Å |
| 145 | A | 84.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P27 F29 A138 | P27-A145 HydrophobicContact CB-CB 4.1Å; P27-A145 WeakPolarHBondContact O-CB 3.43Å; F29-A145 HydrophobicContact CD2-CB 4.24Å; F29-A145 HydrophobicContact CE2-CB 3.65Å; F29-A145 HydrophobicContact CZ-CB 4.47Å; A138-A145 PolarHBondContact N-O 2.97Å; A138-A145 VanDerWaalsContact N-O 3.09Å; A138-A145 PolarHBondContact O-N 3.28Å |
| 146 | L | 87.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.3 | -178.6 | -58 | 179.4 | 0 | 0 | 0 | 110.3 | F29 I137 L433 | F29-L146 WeakPolarHBondContact CE2-O 3.29Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 3.66Å; I137-L146 HydrophobicContact CG1-CD2 3.71Å; I137-L146 HydrophobicContact CG2-CD2 4.05Å; L146-L433 HydrophobicContact CD1-CD1 3.79Å |
| 147 | S | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 167.9 | 167.8 | 80.9 | 0 | 0 | 0 | 0 | 111.3 | Q135 C136 | Q135-S147 PolarHBondContact NE2-O 2.94Å; C136-S147 PolarHBondContact N-OG 3.22Å; C136-S147 WeakPolarHBondContact O-CB 3.46Å; C136-S147 PolarHBondContact O-N 3Å; C136-S147 PolarHBondContact O-OG 3.04Å |
| 148 | I | 84.7 | Confident | 83.9 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 139.7 | 158.2 | -62 | 173.8 | 0 | 0 | 0 | 108.4 | M32 | M32-I148 HydrophobicContact SD-CD1 4.1Å; M32-I148 HydrophobicContact SD-CG1 4.11Å |
| 149 | P | 86.5 | Confident | 83.9 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 14% | 0.143 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 134.8 | 174.3 | 30.3 | -33.8 | 0 | 0 | 0 | 112 | Y134 Q135 I478 | Y134-P149 CarbonylContact O-C 3.55Å; Y134-P149 WeakPolarHBondContact O-CA 3.33Å; Q135-P149 HydrophobicContact CB-CB 4.34Å; Q135-P149 HydrophobicContact CG-CB 4.41Å; P149-I478 HydrophobicContact CG-CD1 4.22Å |
| 150 | L | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.8 | 175 | 158.8 | 65 | 0 | 0 | 0 | 110.3 | P33 P34 A37 I47 L133 Y134 | P33-L150 HydrophobicContact CB-CB 4.5Å; P34-L150 HydrophobicContact CG-CD1 4.36Å; P34-L150 WeakPolarHBondContact O-CA 3.15Å; P34-L150 WeakPolarHBondContact O-CB 3.45Å; P34-L150 VanDerWaalsContact O-CD1 3.27Å; P34-L150 WeakPolarHBondContact O-CD1 3.21Å; A37-L150 HydrophobicContact CB-CD1 3.68Å; A37-L150 VanDerWaalsContact N-CD1 3.34Å; I47-L150 HydrophobicContact CD1-CD2 3.3Å; I47-L150 HydrophobicContact CG2-CD2 4.1Å; L133-L150 CarbonylContact C-O 3.53Å; L133-L150 VanDerWaalsContact CA-O 3.29Å; L133-L150 WeakPolarHBondContact CA-O 2.98Å; Y134-L150 PolarHBondContact N-O 3.01Å; Y134-L150 PolarHBondContact O-N 2.81Å |
| 151 | K | 85.9 | Confident | 84.2 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.9 | 165.8 | -163.6 | -163.3 | -166.5 | -161.1 | 0 | 110.2 | S35 I36 A37 L133 E153 | S35-K151 PolarHBondContact O-N 3Å; I36-K151 CarbonylContact C-O 3.21Å; I36-K151 VanDerWaalsContact CA-O 3.29Å; I36-K151 WeakPolarHBondContact CA-O 3.17Å; I36-K151 HydrophobicContact CG1-CB 4.22Å; A37-K151 PolarHBondContact N-O 2.71Å; L133-K151 HydrophobicContact CD2-CB 4.04Å; L133-K151 HydrophobicContact CD2-CG 4.29Å; K151-E153 WeakPolarHBondContact CE-OE1 3.23Å; K151-E153 IonicContact NZ-OE1 2.75Å; K151-E153 PolarHBondContact NZ-OE1 3.13Å |
| 152 | L | 85.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.2 | 174.3 | -172.5 | 67.9 | 0 | 0 | 0 | 110.6 | A37 I39 L45 F120 L129 T131 G132 Y134 | A37-L152 HydrophobicContact CB-CD1 4.13Å; A37-L152 WeakPolarHBondContact O-CA 3.18Å; I39-L152 HydrophobicContact CB-CD1 4.2Å; I39-L152 HydrophobicContact CG2-CD1 4.06Å; I39-L152 HydrophobicContact CG2-CD2 4.48Å; I39-L152 HydrophobicContact CG2-CG 4.28Å; L45-L152 HydrophobicContact CD2-CD1 3.47Å; L45-L152 VanDerWaalsContact CD2-CD1 3.47Å; F120-L152 HydrophobicContact CD1-CD2 4.48Å; L129-L152 HydrophobicContact CD1-CD2 4.03Å; T131-L152 VanDerWaalsContact CA-O 3.27Å; T131-L152 WeakPolarHBondContact CA-O 3.29Å; T131-L152 WeakPolarHBondContact CB-O 3.22Å; G132-L152 PolarHBondContact N-O 3.24Å; G132-L152 VanDerWaalsContact N-O 3.1Å; G132-L152 PolarHBondContact O-N 3.37Å; Y134-L152 HydrophobicContact CD2-CB 3.6Å; Y134-L152 HydrophobicContact CD2-CD2 4.06Å; Y134-L152 HydrophobicContact CD2-CG 4.48Å; Y134-L152 HydrophobicContact CE2-CB 3.62Å; Y134-L152 HydrophobicContact CE2-CD2 3.46Å; Y134-L152 VanDerWaalsContact CE2-CD2 3.46Å; Y134-L152 HydrophobicContact CE2-CG 4.17Å |
| 153 | E | 86.2 | Confident | 84.9 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.9 | 172.7 | -69.3 | -172 | -177 | 0 | 0 | 111.5 | A37 Y38 I39 K151 I186 | A37-E153 PolarHBondContact O-N 2.79Å; Y38-E153 CarbonylContact C-O 3.59Å; Y38-E153 VanDerWaalsContact CA-O 3.3Å; Y38-E153 WeakPolarHBondContact CA-O 3.45Å; Y38-E153 HydrophobicContact CD1-CB 3.94Å; Y38-E153 HydrophobicContact CE1-CB 4.16Å; I39-E153 PolarHBondContact N-O 2.88Å; K151-E153 WeakPolarHBondContact CE-OE1 3.23Å; K151-E153 IonicContact NZ-OE1 2.75Å; K151-E153 PolarHBondContact NZ-OE1 3.13Å; E153-I186 HydrophobicContact CB-CG2 4.1Å; E153-I186 WeakPolarHBondContact OE2-CG2 3.34Å |
| 154 | V | 84.1 | Confident | 85.1 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 28% | 0.279 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.4 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | I39 P41 L129 T131 | I39-V154 HydrophobicContact CG2-CG2 4.02Å; P41-V154 HydrophobicContact CG-CG1 3.86Å; L129-V154 HydrophobicContact CD2-CG2 4.42Å; T131-V154 HydrophobicContact CG2-CB 4.21Å; T131-V154 HydrophobicContact CG2-CG2 3.81Å |
| 155 | A | 84.6 | Confident | 85 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | trans | -71.6 | 141.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I39 I186 I243 L244 | I39-A155 PolarHBondContact O-N 3.23Å; A155-I186 CarbonylContact C-O 3.36Å; A155-I186 WeakPolarHBondContact CA-O 3.11Å; A155-I243 HydrophobicContact CB-CB 3.89Å; A155-I243 HydrophobicContact CB-CG2 3.59Å; A155-L244 HydrophobicContact CB-CD1 4.32Å; A155-L244 HydrophobicContact CB-CD2 3.72Å; A155-L244 HydrophobicContact CB-CG 3.75Å | ||
| 156 | R | 86.3 | Confident | 85 | Confident | 137 Ų | 137 | 52.5 Ų | 52.5 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -146.1 | 140 | 175.5 | 57.9 | 170.7 | -162.9 | -177.2 | 4.3 | 110.4 | K184 S185 I186 N241 | R156-K184 PolarHBondContact NE-O 3.17Å; R156-K184 PolarHBondContact NH2-O 3.31Å; R156-S185 CarbonylContact O-C 3.55Å; R156-S185 VanDerWaalsContact O-CA 3.23Å; R156-S185 WeakPolarHBondContact O-CA 3.41Å; R156-S185 WeakPolarHBondContact O-CB 3.26Å; R156-I186 HydrophobicContact CG-CB 3.9Å; R156-I186 HydrophobicContact CG-CD1 4.36Å; R156-I186 HydrophobicContact CG-CG1 4.11Å; R156-I186 PolarHBondContact N-O 3.41Å; R156-I186 PolarHBondContact O-N 2.91Å; R156-I186 VanDerWaalsContact O-O 3.13Å; R156-N241 PolarHBondContact O-ND2 3.08Å |
| 157 | I | 87.4 | Confident | 84.8 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | trans | -102.3 | 137.6 | 173.7 | -179.5 | 163.7 | 0 | 0 | 0 | 110.7 | I239 N241 L244 T246 K248 | I157-I239 HydrophobicContact CD1-CG1 4.4Å; I157-I239 HydrophobicContact CG1-CD1 3.99Å; I157-I239 HydrophobicContact CG1-CG1 4.38Å; I157-N241 HydrophobicContact CB-CB 3.98Å; I157-N241 HydrophobicContact CD1-CB 4.12Å; I157-N241 HydrophobicContact CG1-CB 4.27Å; I157-L244 HydrophobicContact CB-CD1 4.1Å; I157-L244 HydrophobicContact CG2-CD1 3.95Å; I157-T246 VanDerWaalsContact CD1-O 3.27Å; I157-T246 WeakPolarHBondContact CD1-O 3.37Å; I157-K248 HydrophobicContact CD1-CG 4.22Å; I157-K248 PolarHBondContact O-NZ 3.34Å | ||
| 158 | G | 85.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | -58 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T183 S185 K248 | G158-T183 WeakPolarHBondContact CA-O 3.1Å; G158-T183 WeakPolarHBondContact CA-OG1 3.23Å; G158-S185 PolarHBondContact N-OG 3.01Å; G158-K248 VanDerWaalsContact O-CD 3.28Å; G158-K248 WeakPolarHBondContact O-CD 3.34Å; G158-K248 WeakPolarHBondContact O-CE 3.46Å; G158-K248 PolarHBondContact O-NZ 2.8Å | ||
| 159 | T | 85.8 | Confident | 84.2 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | trans | -143.1 | 138.9 | -179 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | T182 T183 | T159-T182 WeakPolarHBondContact O-CA 3.26Å; T159-T183 PolarHBondContact N-OG1 3.33Å; T159-T183 PolarHBondContact O-N 3.05Å; T159-T183 WeakPolarHBondContact OG1-CG2 3.33Å; T159-T183 PolarHBondContact OG1-OG1 2.79Å | ||
| 160 | F | 86.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 141.1 | 162.2 | -62.1 | -91.5 | 0 | 0 | 0 | 109.1 | L163 T182 C237 I239 T249 G250 | F160-L163 HydrophobicContact CB-CD2 3.86Å; F160-L163 HydrophobicContact CG-CD2 4.42Å; F160-T182 HydrophobicContact CD1-CG2 3.52Å; F160-T182 HydrophobicContact CD2-CG2 4Å; F160-T182 HydrophobicContact CE1-CG2 3.23Å; F160-T182 HydrophobicContact CE2-CG2 3.72Å; F160-T182 HydrophobicContact CG-CG2 3.91Å; F160-T182 HydrophobicContact CZ-CG2 3.33Å; F160-C237 HydrophobicContact CE1-CB 3.94Å; F160-C237 HydrophobicContact CZ-CB 3.99Å; F160-I239 HydrophobicContact CE2-CD1 4.48Å; F160-I239 HydrophobicContact CE2-CG1 4.09Å; F160-T249 WeakPolarHBondContact CD2-O 3.33Å; F160-T249 WeakPolarHBondContact CE2-O 3.48Å; F160-G250 VanDerWaalsContact CD1-CA 3.49Å; F160-G250 VanDerWaalsContact CE2-N 3.31Å; F160-G250 VanDerWaalsContact CG-CA 3.49Å |
| 161 | H | 83 | Confident | 82.3 | Confident | 159 Ų | 159 | 70 Ų | 70 | 74% | 0.736 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -91.4 | -17.3 | 178.8 | -72.8 | -65.7 | 0 | 0 | 0 | 113.9 | T183 | H161-T183 WeakPolarHBondContact NE2-CG2 3.43Š|
| 162 | D | 79.6 | Confident | 81.2 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | trans | -143 | 123.4 | -175.9 | 167.6 | 34.8 | 0 | 0 | 0 | 108.2 | N164 K166 P251 | D162-N164 WeakPolarHBondContact OD1-CB 3.08Å; D162-N164 PolarHBondContact OD1-N 3.37Å; D162-N164 PolarHBondContact OD1-ND2 3.18Å; D162-K166 WeakPolarHBondContact OD2-CE 3.16Å; D162-K166 IonicContact OD2-NZ 2.67Å; D162-K166 PolarHBondContact OD2-NZ 3.03Å; D162-P251 WeakPolarHBondContact O-CD 3.25Å; D162-P251 WeakPolarHBondContact O-CG 3.37Å | ||
| 163 | L | 81.4 | Confident | 80.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | trans | -114.3 | 7.5 | -178.1 | -65.5 | 176 | 0 | 0 | 0 | 112.1 | F160 | F160-L163 HydrophobicContact CB-CD2 3.86Å; F160-L163 HydrophobicContact CG-CD2 4.42Å | ||
| 164 | N | 81.8 | Confident | 79.4 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -71.3 | 139.6 | 179 | -62.8 | -79.3 | 0 | 0 | 0 | 110.6 | D162 P251 | D162-N164 WeakPolarHBondContact OD1-CB 3.08Å; D162-N164 PolarHBondContact OD1-N 3.37Å; D162-N164 PolarHBondContact OD1-ND2 3.18Å; N164-P251 VanDerWaalsContact O-CB 3.27Å; N164-P251 WeakPolarHBondContact O-CB 3.41Å |
| 165 | P | 82.5 | Confident | 79 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 49% | 0.494 | 34% | 0.343 | S | S | . | . | trans | -65.9 | 137.3 | 179.8 | 27 | -34.5 | 0 | 0 | 0 | 111.5 | D252 | P165-D252 CarbonylContact C-O 2.67Å; P165-D252 VanDerWaalsContact CA-O 3.25Å; P165-D252 WeakPolarHBondContact CA-O 3.32Å; P165-D252 HydrophobicContact CB-CB 4.25Å | ||
| 166 | K | 85 | Confident | 78.9 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 148.3 | -176.1 | -69.4 | 164.7 | -173 | 175.1 | 0 | 110.2 | D162 P251 D252 I253 K254 | D162-K166 WeakPolarHBondContact OD2-CE 3.16Å; D162-K166 IonicContact OD2-NZ 2.67Å; D162-K166 PolarHBondContact OD2-NZ 3.03Å; K166-P251 HydrophobicContact CD-CG 4.43Å; K166-D252 PolarHBondContact N-O 2.83Å; K166-I253 HydrophobicContact CB-CG1 4.28Å; K166-I253 HydrophobicContact CB-CG2 4.25Å; K166-I253 CarbonylContact O-C 3.41Å; K166-I253 WeakPolarHBondContact O-CA 3.43Å; K166-K254 PolarHBondContact O-N 2.88Å |
| 167 | F | 83 | Confident | 79 | Confident | 118 Ų | 118 | 69 Ų | 69 | 52% | 0.518 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.7 | -178.2 | -62.3 | -95.1 | 0 | 0 | 0 | 109.7 | K254 L256 | F167-K254 CarbonylContact C-O 3.5Å; F167-K254 WeakPolarHBondContact CA-O 3.36Å; F167-K254 HydrophobicContact CD1-CB 3.86Å; F167-K254 HydrophobicContact CD1-CD 4.17Å; F167-K254 HydrophobicContact CE1-CB 4.18Å; F167-K254 HydrophobicContact CE1-CD 3.59Å; F167-K254 HydrophobicContact CE1-CG 4.44Å; F167-K254 HydrophobicContact CZ-CD 4.23Å; F167-L256 HydrophobicContact CD1-CD1 4.07Å |
| 168 | I | 83.6 | Confident | 79.1 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 112.4 | -177.5 | -62.4 | 178.7 | 0 | 0 | 0 | 108.6 | K176 L178 I253 K254 L255 L256 | I168-K176 HydrophobicContact CG2-CD 3.94Å; I168-K176 HydrophobicContact CG2-CG 4.15Å; I168-L178 HydrophobicContact CD1-CD2 3.46Å; I168-L178 VanDerWaalsContact CD1-CD2 3.46Å; I168-I253 HydrophobicContact CD1-CG2 3.49Å; I168-I253 VanDerWaalsContact CD1-CG2 3.49Å; I168-I253 HydrophobicContact CG1-CG2 4.02Å; I168-K254 PolarHBondContact N-O 3.11Å; I168-L255 HydrophobicContact CB-CD2 4.15Å; I168-L255 HydrophobicContact CB-CG 4.25Å; I168-L255 HydrophobicContact CG2-CD2 3.83Å; I168-L255 HydrophobicContact CG2-CG 4.41Å; I168-L255 WeakPolarHBondContact O-CA 3.32Å; I168-L256 PolarHBondContact O-N 3.07Å |
| 169 | Y | 76 | Confident | 79.3 | Confident | 149 Ų | 149 | 72.4 Ų | 72.4 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 134.1 | 172 | -63.1 | -84.8 | 0 | 0 | 0 | 110.3 | K176 L256 | Y169-K176 WeakPolarHBondContact O-CE 3.43Å; Y169-K176 PolarHBondContact O-NZ 2.82Å; Y169-L256 WeakPolarHBondContact CA-O 3.29Å; Y169-L256 HydrophobicContact CD1-CB 3.68Å; Y169-L256 HydrophobicContact CD1-CD1 4.14Å; Y169-L256 HydrophobicContact CE1-CB 3.8Å; Y169-L256 HydrophobicContact CE1-CD1 3.44Å; Y169-L256 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L256 HydrophobicContact CE1-CG 4.28Å; Y169-L256 HydrophobicContact CE2-CD1 4.48Å; Y169-L256 HydrophobicContact CG-CB 4.49Å |
| 170 | T | 68.2 | Low | 79.4 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151 | -178.6 | -158 | 0 | 0 | 0 | 0 | 111.7 | K176 M225 L255 L256 F257 | T170-K176 VanDerWaalsContact CB-CE 3.49Å; T170-K176 WeakPolarHBondContact OG1-CE 3.39Å; T170-M225 HydrophobicContact CG2-CE 3.88Å; T170-M225 VanDerWaalsContact OG1-CE 3.32Å; T170-M225 WeakPolarHBondContact OG1-CE 3.31Å; T170-L255 HydrophobicContact CG2-CD2 3.7Å; T170-L256 PolarHBondContact N-O 2.86Å; T170-F257 HydrophobicContact CG2-CD1 3.65Å; T170-F257 HydrophobicContact CG2-CE1 3.44Å; T170-F257 VanDerWaalsContact CG2-CE1 3.44Å; T170-F257 HydrophobicContact CG2-CG 4.29Å; T170-F257 HydrophobicContact CG2-CZ 3.92Å |
| 171 | K | 66.4 | Low | 79.4 | Confident | 131 Ų | 131 | 72.6 Ų | 72.6 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | trans | -88.8 | 161.2 | 169.1 | -68.8 | 173.8 | -177.6 | 172.1 | 0 | 111.1 | N173 E174 | K171-N173 PolarHBondContact O-N 3.26Å; K171-E174 HydrophobicContact CB-CB 4.14Å; K171-E174 WeakPolarHBondContact CB-OE2 3.02Å; K171-E174 PolarHBondContact N-OE2 2.73Å; K171-E174 WeakPolarHBondContact O-CB 3.48Å; K171-E174 PolarHBondContact O-N 3.02Å | ||
| 172 | P | 63.6 | Low | 79.5 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 41% | 0.409 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40 | 129.8 | 154.9 | -31.2 | 36.3 | 0 | 0 | 0 | 112.5 | E174 P227 | P172-E174 PolarHBondContact O-N 2.82Å; P172-E174 VanDerWaalsContact O-N 3.11Å; P172-P227 HydrophobicContact CB-CB 4.18Å; P172-P227 HydrophobicContact CB-CG 3.69Å; P172-P227 HydrophobicContact CG-CB 3.9Å; P172-P227 HydrophobicContact CG-CG 3.79Å |
| 173 | N | 62.3 | Low | 79.9 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17.4 | 172 | -54.4 | 10.3 | 0 | 0 | 0 | 114.6 | K171 N224 M225 N226 L278 | K171-N173 PolarHBondContact O-N 3.26Å; N173-N224 WeakPolarHBondContact CB-OD1 3.29Å; N173-M225 PolarHBondContact N-O 3.12Å; N173-N226 PolarHBondContact OD1-OD1 2.7Å; N173-L278 HydrophobicContact CB-CD2 4.03Å |
| 174 | E | 72.2 | Confident | 79.9 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | trans | -84.6 | 144.2 | 172.6 | -174.5 | 179.1 | 171.2 | 0 | 0 | 110.6 | K171 P172 K176 M225 | K171-E174 HydrophobicContact CB-CB 4.14Å; K171-E174 WeakPolarHBondContact CB-OE2 3.02Å; K171-E174 PolarHBondContact N-OE2 2.73Å; K171-E174 WeakPolarHBondContact O-CB 3.48Å; K171-E174 PolarHBondContact O-N 3.02Å; P172-E174 PolarHBondContact O-N 2.82Å; P172-E174 VanDerWaalsContact O-N 3.11Å; E174-K176 WeakPolarHBondContact OE1-CE 3.21Å; E174-K176 IonicContact OE1-NZ 2.61Å; E174-K176 PolarHBondContact OE1-NZ 2.8Å; E174-K176 IonicContact OE2-NZ 3.42Å; E174-M225 VanDerWaalsContact O-CE 3.28Å; E174-M225 WeakPolarHBondContact O-CE 3.44Å | ||
| 175 | T | 74.6 | Confident | 80.1 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | trans | -94.7 | 139.9 | 174 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | L222 L223 L285 Y307 W800 | T175-L222 CarbonylContact C-O 3.57Å; T175-L222 WeakPolarHBondContact CA-O 3.42Å; T175-L222 WeakPolarHBondContact CB-O 3.21Å; T175-L222 VanDerWaalsContact CG2-O 3.3Å; T175-L222 WeakPolarHBondContact CG2-O 3.37Å; T175-L223 HydrophobicContact CG2-CD2 3.56Å; T175-L285 HydrophobicContact CG2-CD1 4.31Å; T175-Y307 WeakPolarHBondContact OG1-CD1 3.42Å; T175-Y307 WeakPolarHBondContact OG1-CE1 3.38Å; T175-W800 HydrophobicContact CG2-CZ2 3.6Å | ||
| 176 | K | 83.5 | Confident | 80.1 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 164.2 | 175.8 | -63.8 | -63.7 | -168.9 | -174.7 | 0 | 111.7 | I168 Y169 T170 E174 L222 M225 L255 | I168-K176 HydrophobicContact CG2-CD 3.94Å; I168-K176 HydrophobicContact CG2-CG 4.15Å; Y169-K176 WeakPolarHBondContact O-CE 3.43Å; Y169-K176 PolarHBondContact O-NZ 2.82Å; T170-K176 VanDerWaalsContact CB-CE 3.49Å; T170-K176 WeakPolarHBondContact OG1-CE 3.39Å; E174-K176 WeakPolarHBondContact OE1-CE 3.21Å; E174-K176 IonicContact OE1-NZ 2.61Å; E174-K176 PolarHBondContact OE1-NZ 2.8Å; E174-K176 IonicContact OE2-NZ 3.42Å; K176-L222 HydrophobicContact CB-CB 4.37Å; K176-L222 HydrophobicContact CB-CD1 4.42Å; K176-L222 PolarHBondContact N-O 2.99Å; K176-L222 PolarHBondContact O-N 2.81Å; K176-M225 HydrophobicContact CB-CE 3.93Å; K176-M225 HydrophobicContact CG-CE 3.45Å; K176-M225 VanDerWaalsContact CG-CE 3.45Å; K176-L255 HydrophobicContact CG-CD2 4.39Å |
| 177 | I | 87.4 | Confident | 80.1 | Confident | 71 Ų | 71 | 60 Ų | 60 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.5 | 172.6 | -47.6 | 175.4 | 0 | 0 | 0 | 107.7 | N179 N219 L220 H221 L285 | I177-N179 WeakPolarHBondContact CG2-OD1 3.47Å; I177-N219 HydrophobicContact CG2-CB 4.14Å; I177-L220 CarbonylContact C-O 3.55Å; I177-L220 WeakPolarHBondContact CA-O 3.12Å; I177-H221 WeakPolarHBondContact CG1-ND1 3.27Å; I177-H221 WeakPolarHBondContact CG2-NE2 3.2Å; I177-L285 HydrophobicContact CD1-CD1 3.97Å; I177-L285 HydrophobicContact CG1-CD1 4.27Å |
| 178 | L | 90.4 | Very high | 80 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.4 | 175.8 | -45.2 | -167 | 0 | 0 | 0 | 109.1 | I168 W193 N219 L220 L222 Y235 I253 L255 | I168-L178 HydrophobicContact CD1-CD2 3.46Å; I168-L178 VanDerWaalsContact CD1-CD2 3.46Å; L178-W193 HydrophobicContact CB-CH2 3.54Å; L178-W193 HydrophobicContact CB-CZ2 3.98Å; L178-W193 HydrophobicContact CB-CZ3 3.97Å; L178-W193 HydrophobicContact CD1-CE3 4.5Å; L178-W193 HydrophobicContact CD1-CH2 4.49Å; L178-W193 HydrophobicContact CD1-CZ3 4.08Å; L178-W193 WeakPolarHBondContact O-CZ2 3.16Å; L178-N219 CarbonylContact O-C 3.57Å; L178-N219 WeakPolarHBondContact O-CA 3.31Å; L178-N219 VanDerWaalsContact O-CB 3.29Å; L178-N219 WeakPolarHBondContact O-CB 3.22Å; L178-L220 HydrophobicContact CB-CB 4.28Å; L178-L220 HydrophobicContact CD1-CD2 4.23Å; L178-L220 PolarHBondContact N-O 3.35Å; L178-L220 PolarHBondContact O-N 2.77Å; L178-L222 HydrophobicContact CD1-CD1 3.94Å; L178-L222 HydrophobicContact CD2-CD1 3.93Å; L178-L222 HydrophobicContact CG-CD1 3.84Å; L178-L222 HydrophobicContact CG-CG 4.35Å; L178-Y235 HydrophobicContact CD1-CD1 3.86Å; L178-Y235 HydrophobicContact CD1-CD2 3.81Å; L178-Y235 HydrophobicContact CD1-CG 3.42Å; L178-Y235 VanDerWaalsContact CD1-CG 3.42Å; L178-I253 HydrophobicContact CB-CD1 4.21Å; L178-I253 HydrophobicContact CD1-CG2 4.44Å; L178-I253 HydrophobicContact CD2-CG2 4.16Å; L178-L255 HydrophobicContact CD2-CD1 4.38Å |
| 179 | N | 89.4 | Confident | 80 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | trans | -93.7 | 134.6 | -170.2 | -61.9 | 6.7 | 0 | 0 | 0 | 113.1 | I177 S181 N219 | I177-N179 WeakPolarHBondContact CG2-OD1 3.47Å; N179-S181 PolarHBondContact O-N 3.05Å; N179-N219 WeakPolarHBondContact CA-OD1 3.46Å; N179-N219 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 180 | C | 88.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | trans | -101.8 | 70.8 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | T182 V191 W193 G218 N219 C237 | C180-T182 PolarHBondContact O-N 2.75Å; C180-V191 HydrophobicContact CB-CG1 4.34Å; C180-W193 HydrophobicContact CB-CZ2 3.81Å; C180-G218 VanDerWaalsContact CB-C 3.49Å; C180-G218 WeakPolarHBondContact CB-O 3.36Å; C180-N219 PolarHBondContact N-OD1 3.25Å; C180-C237 HydrophobicContact CB-CB 3.74Å; C180-C237 WeakPolarHBondContact CB-SG 3.11Å; C180-C237 WeakPolarHBondContact SG-CB 3.19Å; C180-C237 CovalentContact SG-SG 2.02Å; C180-C237 PolarHBondContact SG-SG 2.73Å | ||
| 181 | S | 84.8 | Confident | 81.5 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 58% | 0.58 | 31% | 0.313 | S | S | * | . | trans | -72.5 | 99.8 | -176.3 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | N179 | N179-S181 PolarHBondContact O-N 3.05Š| ||
| 182 | T | 85.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 158.1 | 177 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | T159 F160 C180 I239 | T159-T182 WeakPolarHBondContact O-CA 3.26Å; F160-T182 HydrophobicContact CD1-CG2 3.52Å; F160-T182 HydrophobicContact CD2-CG2 4Å; F160-T182 HydrophobicContact CE1-CG2 3.23Å; F160-T182 HydrophobicContact CE2-CG2 3.72Å; F160-T182 HydrophobicContact CG-CG2 3.91Å; F160-T182 HydrophobicContact CZ-CG2 3.33Å; C180-T182 PolarHBondContact O-N 2.75Å; T182-I239 HydrophobicContact CG2-CD1 4.07Å; T182-I239 HydrophobicContact CG2-CG2 3.96Å |
| 183 | T | 87.2 | Confident | 83.9 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | trans | -78.2 | 150.4 | 170.3 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | G158 T159 H161 S185 | G158-T183 WeakPolarHBondContact CA-O 3.1Å; G158-T183 WeakPolarHBondContact CA-OG1 3.23Å; T159-T183 PolarHBondContact N-OG1 3.33Å; T159-T183 PolarHBondContact O-N 3.05Å; T159-T183 WeakPolarHBondContact OG1-CG2 3.33Å; T159-T183 PolarHBondContact OG1-OG1 2.79Å; H161-T183 WeakPolarHBondContact NE2-CG2 3.43Å; T183-S185 PolarHBondContact O-N 2.85Å | ||
| 184 | K | 82.8 | Confident | 85.1 | Confident | 160 Ų | 160 | 51.9 Ų | 51.9 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | trans | -71.8 | 110.5 | -170.4 | -175.2 | 165.7 | -175.8 | 164.2 | 0 | 114.6 | R156 | R156-K184 PolarHBondContact NE-O 3.17Å; R156-K184 PolarHBondContact NH2-O 3.31Å | ||
| 185 | S | 84.8 | Confident | 85.8 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -62.4 | 159.9 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 114 | R156 G158 T183 P187 A189 | R156-S185 CarbonylContact O-C 3.55Å; R156-S185 VanDerWaalsContact O-CA 3.23Å; R156-S185 WeakPolarHBondContact O-CA 3.41Å; R156-S185 WeakPolarHBondContact O-CB 3.26Å; G158-S185 PolarHBondContact N-OG 3.01Å; T183-S185 PolarHBondContact O-N 2.85Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.22Å; S185-P187 WeakPolarHBondContact CB-O 3.4Å; S185-A189 VanDerWaalsContact OG-CB 3.31Å; S185-A189 WeakPolarHBondContact OG-CB 3.27Å | ||
| 186 | I | 83.4 | Confident | 86.2 | Confident | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 127 | 164.5 | -61.9 | 173.5 | 0 | 0 | 0 | 108.1 | Y38 E153 A155 R156 N241 | Y38-I186 HydrophobicContact CD1-CG2 3.98Å; Y38-I186 HydrophobicContact CE1-CG2 3.92Å; E153-I186 HydrophobicContact CB-CG2 4.1Å; E153-I186 WeakPolarHBondContact OE2-CG2 3.34Å; A155-I186 CarbonylContact C-O 3.36Å; A155-I186 WeakPolarHBondContact CA-O 3.11Å; R156-I186 HydrophobicContact CG-CB 3.9Å; R156-I186 HydrophobicContact CG-CD1 4.36Å; R156-I186 HydrophobicContact CG-CG1 4.11Å; R156-I186 PolarHBondContact N-O 3.41Å; R156-I186 PolarHBondContact O-N 2.91Å; R156-I186 VanDerWaalsContact O-O 3.13Å; I186-N241 PolarHBondContact O-ND2 2.97Å |
| 187 | P | 83.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | S | Bend | cis | -52.2 | 172.5 | -24.9 | 28 | -35.6 | 0 | 0 | 0 | 111.1 | Y38 S185 A189 I243 | Y38-P187 HydrophobicContact CD2-CB 4.41Å; Y38-P187 HydrophobicContact CD2-CG 4.32Å; Y38-P187 HydrophobicContact CE1-CB 4.18Å; Y38-P187 HydrophobicContact CE2-CB 4.07Å; Y38-P187 HydrophobicContact CE2-CG 4.45Å; Y38-P187 HydrophobicContact CG-CG 4.41Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.22Å; S185-P187 WeakPolarHBondContact CB-O 3.4Å; P187-A189 PolarHBondContact O-N 3.06Å; P187-A189 VanDerWaalsContact O-N 3.16Å; P187-I243 HydrophobicContact CG-CG1 3.65Å |
| 188 | T | 82.1 | Confident | 85 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 122.7 | 174.2 | 40.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 189 | A | 83.1 | Confident | 83.9 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -73 | 145.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S185 P187 V191 I239 H240 N241 | S185-A189 VanDerWaalsContact OG-CB 3.31Å; S185-A189 WeakPolarHBondContact OG-CB 3.27Å; P187-A189 PolarHBondContact O-N 3.06Å; P187-A189 VanDerWaalsContact O-N 3.16Å; A189-V191 PolarHBondContact O-N 2.79Å; A189-I239 HydrophobicContact CB-CB 4.18Å; A189-H240 CarbonylContact C-O 3.59Å; A189-H240 VanDerWaalsContact CA-O 3.23Å; A189-H240 WeakPolarHBondContact CA-O 3.32Å; A189-H240 VanDerWaalsContact CB-O 3.29Å; A189-H240 WeakPolarHBondContact CB-O 3.39Å; A189-N241 HydrophobicContact CB-CB 4.45Å |
| 190 | K | 86.6 | Confident | 82.7 | Confident | 111 Ų | 111 | 50.5 Ų | 50.5 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 128.1 | 170.8 | -170.1 | -166.2 | 174.5 | -156.2 | 0 | 108.3 | Q192 I239 H240 E765 | K190-Q192 HydrophobicContact CD-CG 4.01Å; K190-Q192 HydrophobicContact CG-CG 4.25Å; K190-I239 CarbonylContact O-C 2.69Å; K190-I239 WeakPolarHBondContact O-CA 3.48Å; K190-H240 PolarHBondContact N-O 3.47Å; K190-H240 PolarHBondContact O-N 3.2Å; K190-E765 IonicContact NZ-OE1 3.41Å |
| 191 | V | 88.2 | Confident | 81.5 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 142.6 | 171.4 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | C180 A189 C237 V238 I239 | C180-V191 HydrophobicContact CB-CG1 4.34Å; A189-V191 PolarHBondContact O-N 2.79Å; V191-C237 WeakPolarHBondContact CG1-SG 3.26Å; V191-V238 WeakPolarHBondContact CA-O 3.39Å; V191-I239 HydrophobicContact CG1-CG2 4.45Å; V191-I239 HydrophobicContact CG2-CG2 4.21Å |
| 192 | Q | 88.3 | Confident | 80.5 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.4 | 179.7 | -61 | -169.9 | -107.9 | 0 | 0 | 109.1 | K190 F205 C237 V238 E765 | K190-Q192 HydrophobicContact CD-CG 4.01Å; K190-Q192 HydrophobicContact CG-CG 4.25Å; Q192-F205 HydrophobicContact CB-CD1 4.28Å; Q192-F205 HydrophobicContact CB-CE1 3.85Å; Q192-C237 CarbonylContact O-C 3.42Å; Q192-V238 HydrophobicContact CB-CB 4.33Å; Q192-V238 PolarHBondContact N-O 3.2Å; Q192-V238 PolarHBondContact O-N 2.58Å; Q192-E765 WeakPolarHBondContact CA-OE2 3.35Å; Q192-E765 WeakPolarHBondContact CB-OE2 3.31Å; Q192-E765 WeakPolarHBondContact CG-OE1 3.39Å; Q192-E765 PolarHBondContact NE2-OE1 3.13Å |
| 193 | W | 91.9 | Very high | 80.1 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 100.5 | -179.4 | -86.4 | 87.1 | 0 | 0 | 0 | 113.5 | L178 C180 F205 I214 G218 L220 C237 I253 E765 | L178-W193 HydrophobicContact CB-CH2 3.54Å; L178-W193 HydrophobicContact CB-CZ2 3.98Å; L178-W193 HydrophobicContact CB-CZ3 3.97Å; L178-W193 HydrophobicContact CD1-CE3 4.5Å; L178-W193 HydrophobicContact CD1-CH2 4.49Å; L178-W193 HydrophobicContact CD1-CZ3 4.08Å; L178-W193 WeakPolarHBondContact O-CZ2 3.16Å; C180-W193 HydrophobicContact CB-CZ2 3.81Å; W193-F205 VanDerWaalsContact O-CA 3.26Å; W193-F205 WeakPolarHBondContact O-CA 3.32Å; W193-F205 WeakPolarHBondContact O-CB 3.32Å; W193-F205 WeakPolarHBondContact O-CD1 3.34Å; W193-F205 WeakPolarHBondContact O-CG 3.18Å; W193-I214 HydrophobicContact CB-CD1 4.25Å; W193-I214 HydrophobicContact CG-CD1 4.38Å; W193-G218 PolarHBondContact NE1-O 3.13Å; W193-L220 HydrophobicContact CB-CD2 4.25Å; W193-L220 HydrophobicContact CD2-CB 3.88Å; W193-L220 HydrophobicContact CD2-CD2 4.24Å; W193-L220 HydrophobicContact CG-CB 3.97Å; W193-L220 HydrophobicContact CG-CD1 4.46Å; W193-L220 HydrophobicContact CG-CD2 4.15Å; W193-L220 HydrophobicContact CG-CG 4.45Å; W193-L220 HydrophobicContact CZ2-CB 4.23Å; W193-C237 HydrophobicContact CD2-CB 4Å; W193-C237 HydrophobicContact CE3-CB 4.09Å; W193-C237 HydrophobicContact CH2-CB 3.96Å; W193-C237 HydrophobicContact CZ2-CB 3.86Å; W193-C237 HydrophobicContact CZ3-CB 4.07Å; W193-I253 HydrophobicContact CH2-CD1 3.76Å; W193-I253 HydrophobicContact CZ3-CD1 3.86Å; W193-E765 PolarHBondContact N-OE2 3.31Å |
| 194 | M | 89 | Confident | 79.8 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 144 | 170 | -72.7 | 163.6 | 66.7 | 0 | 0 | 109.9 | I203 N204 F205 Y235 T236 V238 T249 | M194-I203 HydrophobicContact CB-CG2 4.21Å; M194-I203 HydrophobicContact CE-CG2 3.45Å; M194-I203 VanDerWaalsContact CE-CG2 3.45Å; M194-I203 HydrophobicContact CG-CG2 4.49Å; M194-N204 CarbonylContact C-O 3.59Å; M194-N204 WeakPolarHBondContact CA-O 3.45Å; M194-F205 HydrophobicContact CB-CD1 4.3Å; M194-F205 HydrophobicContact CB-CE1 4.38Å; M194-F205 HydrophobicContact CB-CG 4.45Å; M194-F205 HydrophobicContact CG-CD1 3.75Å; M194-F205 HydrophobicContact CG-CD2 4.13Å; M194-F205 HydrophobicContact CG-CE1 3.39Å; M194-F205 HydrophobicContact CG-CE2 3.8Å; M194-F205 HydrophobicContact CG-CG 4.06Å; M194-F205 HydrophobicContact CG-CZ 3.39Å; M194-F205 VanDerWaalsContact N-CD1 3.3Å; M194-F205 HydrophobicContact SD-CZ 4.23Å; M194-Y235 CarbonylContact O-C 2.88Å; M194-Y235 WeakPolarHBondContact O-CA 3.46Å; M194-T236 PolarHBondContact N-O 2.74Å; M194-T236 PolarHBondContact O-N 3.42Å; M194-V238 HydrophobicContact CB-CG2 4.27Å; M194-V238 HydrophobicContact CG-CG2 3.61Å; M194-V238 HydrophobicContact SD-CG2 3.43Å; M194-V238 WeakPolarHBondContact SD-CG2 3.48Å; M194-T249 HydrophobicContact SD-CG2 4.38Å |
| 195 | I | 87.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137 | 167.2 | -158.1 | -174.4 | 0 | 0 | 0 | 107.3 | I203 N204 V206 L233 T234 Y235 Y767 | I195-I203 WeakPolarHBondContact O-CA 3.39Å; I195-N204 PolarHBondContact N-O 2.79Å; I195-N204 CarbonylContact O-C 3.56Å; I195-N204 PolarHBondContact O-N 3.16Å; I195-N204 VanDerWaalsContact O-N 3.1Å; I195-V206 HydrophobicContact CB-CG2 4.26Å; I195-V206 HydrophobicContact CD1-CG2 3.59Å; I195-V206 HydrophobicContact CG2-CG2 3.76Å; I195-V206 VanDerWaalsContact CG2-N 3.3Å; I195-L233 HydrophobicContact CD1-CB 4.33Å; I195-L233 HydrophobicContact CD1-CD1 4.18Å; I195-L233 HydrophobicContact CD1-CD2 3.81Å; I195-L233 HydrophobicContact CD1-CG 4.34Å; I195-T234 CarbonylContact C-O 3.53Å; I195-T234 VanDerWaalsContact CA-O 3.28Å; I195-T234 WeakPolarHBondContact CA-O 3.34Å; I195-T234 VanDerWaalsContact CG1-O 3.3Å; I195-T234 WeakPolarHBondContact CG1-O 3.47Å; I195-Y235 HydrophobicContact CB-CD1 4.16Å; I195-Y235 HydrophobicContact CB-CE1 4.32Å; I195-Y235 HydrophobicContact CD1-CD1 3.92Å; I195-Y235 HydrophobicContact CD1-CD2 4.33Å; I195-Y235 HydrophobicContact CD1-CE1 3.34Å; I195-Y235 HydrophobicContact CD1-CE2 3.8Å; I195-Y235 HydrophobicContact CD1-CG 4.38Å; I195-Y235 HydrophobicContact CG1-CD1 3.72Å; I195-Y235 HydrophobicContact CG1-CD2 4.16Å; I195-Y235 HydrophobicContact CG1-CE1 3.72Å; I195-Y235 HydrophobicContact CG1-CE2 4.15Å; I195-Y235 HydrophobicContact CG1-CG 3.97Å; I195-Y767 WeakPolarHBondContact CG2-O 3.42Å |
| 196 | K | 82.2 | Confident | 79.7 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 33% | 0.326 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.6 | 177.8 | 170.2 | 176.1 | 175.6 | -175 | 0 | 108.4 | L202 I203 T234 | K196-L202 WeakPolarHBondContact CA-O 3.41Å; K196-I203 HydrophobicContact CB-CG1 4.06Å; K196-I203 HydrophobicContact CB-CG2 4.34Å; K196-I203 HydrophobicContact CD-CD1 4.17Å; K196-I203 HydrophobicContact CD-CG1 4.14Å; K196-I203 HydrophobicContact CG-CG1 4.01Å; K196-T234 PolarHBondContact N-O 3.34Å; K196-T234 PolarHBondContact O-N 2.71Å |
| 197 | D | 75.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129 | 165.9 | -152.6 | -54 | 0 | 0 | 0 | 110.3 | E199 D200 G201 L202 S768 L769 | D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 WeakPolarHBondContact OD1-CA 3.47Å; D197-E199 PolarHBondContact OD1-N 2.78Å; D197-D200 HydrophobicContact CB-CB 3.93Å; D197-D200 VanDerWaalsContact CG-N 3.32Å; D197-D200 PolarHBondContact OD1-N 2.99Å; D197-G201 VanDerWaalsContact O-CA 3.26Å; D197-G201 WeakPolarHBondContact O-CA 3.49Å; D197-G201 PolarHBondContact O-N 2.69Å; D197-L202 PolarHBondContact N-O 3Å; D197-S768 WeakPolarHBondContact CB-OG 3.42Å; D197-S768 WeakPolarHBondContact OD2-CB 3.47Å; D197-S768 PolarHBondContact OD2-OG 2.8Å; D197-L769 VanDerWaalsContact CG-CD2 3.41Å; D197-L769 WeakPolarHBondContact OD1-CD2 3.48Å; D197-L769 WeakPolarHBondContact OD2-CA 3.26Å; D197-L769 WeakPolarHBondContact OD2-CD2 3.22Å; D197-L769 WeakPolarHBondContact OD2-CG 3.44Å; D197-L769 PolarHBondContact OD2-N 2.66Å |
| 198 | D | 70.1 | Confident | 79.3 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -79.3 | -15.5 | 173.5 | -86 | 3.3 | 0 | 0 | 0 | 112.5 | N232 T234 K254 | D198-N232 HydrophobicContact CB-CB 3.89Å; D198-N232 PolarHBondContact N-O 3.05Å; D198-T234 PolarHBondContact OD1-OG1 2.78Å; D198-K254 IonicContact OD1-NZ 2.65Å; D198-K254 PolarHBondContact OD1-NZ 3.43Å; D198-K254 IonicContact OD2-NZ 3.33Å; D198-K254 PolarHBondContact OD2-NZ 2.9Å |
| 199 | E | 67.8 | Low | 78.9 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -105.9 | -52.2 | -179.7 | -69.6 | 178 | -112 | 0 | 0 | 112.2 | D197 G201 R231 I770 | D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 WeakPolarHBondContact OD1-CA 3.47Å; D197-E199 PolarHBondContact OD1-N 2.78Å; E199-G201 VanDerWaalsContact C-N 3.32Å; E199-R231 WeakPolarHBondContact OE1-CA 3.22Å; E199-I770 HydrophobicContact CB-CD1 3.77Å; E199-I770 HydrophobicContact CG-CD1 4.31Å; E199-I770 VanDerWaalsContact OE2-CD1 3.25Å; E199-I770 WeakPolarHBondContact OE2-CD1 3.06Å |
| 200 | D | 63.5 | Low | 78.4 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -78.5 | -13.3 | 176.2 | -86.5 | -41.6 | 0 | 0 | 0 | 113.4 | D197 L202 I770 K771 | D197-D200 HydrophobicContact CB-CB 3.93Å; D197-D200 VanDerWaalsContact CG-N 3.32Å; D197-D200 PolarHBondContact OD1-N 2.99Å; D200-L202 HydrophobicContact CB-CB 4.44Å; D200-L202 HydrophobicContact CB-CD1 4.01Å; D200-L202 HydrophobicContact CB-CG 4.15Å; D200-L202 PolarHBondContact O-N 2.89Å; D200-I770 PolarHBondContact OD2-N 3.05Å; D200-K771 WeakPolarHBondContact OD1-CD 3.23Å; D200-K771 VanDerWaalsContact OD1-CE 3.22Å; D200-K771 WeakPolarHBondContact OD1-CE 3.29Å; D200-K771 IonicContact OD1-NZ 3.61Å; D200-K771 PolarHBondContact OD1-NZ 3.4Å |
| 201 | G | 64.2 | Low | 78 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | trans | 66.1 | -7.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D197 E199 I203 | D197-G201 VanDerWaalsContact O-CA 3.26Å; D197-G201 WeakPolarHBondContact O-CA 3.49Å; D197-G201 PolarHBondContact O-N 2.69Å; E199-G201 VanDerWaalsContact C-N 3.32Å; G201-I203 PolarHBondContact O-N 3.11Å | ||
| 202 | L | 64.5 | Low | 77.6 | Confident | 65 Ų | 65 | 41 Ų | 41 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | trans | -60.5 | 126.7 | -178 | -74.2 | 168.9 | 0 | 0 | 0 | 111.1 | K196 D197 D200 Y767 | K196-L202 WeakPolarHBondContact CA-O 3.41Å; D197-L202 PolarHBondContact N-O 3Å; D200-L202 HydrophobicContact CB-CB 4.44Å; D200-L202 HydrophobicContact CB-CD1 4.01Å; D200-L202 HydrophobicContact CB-CG 4.15Å; D200-L202 PolarHBondContact O-N 2.89Å; L202-Y767 HydrophobicContact CD1-CD2 4.07Å; L202-Y767 HydrophobicContact CD1-CE2 4.04Å | ||
| 203 | I | 75.7 | Confident | 77.4 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 103 | 174.8 | -41.3 | 179.8 | 0 | 0 | 0 | 109.3 | M194 I195 K196 G201 | M194-I203 HydrophobicContact CB-CG2 4.21Å; M194-I203 HydrophobicContact CE-CG2 3.45Å; M194-I203 VanDerWaalsContact CE-CG2 3.45Å; M194-I203 HydrophobicContact CG-CG2 4.49Å; I195-I203 WeakPolarHBondContact O-CA 3.39Å; K196-I203 HydrophobicContact CB-CG1 4.06Å; K196-I203 HydrophobicContact CB-CG2 4.34Å; K196-I203 HydrophobicContact CD-CD1 4.17Å; K196-I203 HydrophobicContact CD-CG1 4.14Å; K196-I203 HydrophobicContact CG-CG1 4.01Å; G201-I203 PolarHBondContact O-N 3.11Å |
| 204 | N | 80.7 | Confident | 77.2 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -123.1 | 156.4 | -66.2 | -6.7 | 0 | 0 | 0 | 105.9 | M194 I195 S766 Y767 | M194-N204 CarbonylContact C-O 3.59Å; M194-N204 WeakPolarHBondContact CA-O 3.45Å; I195-N204 PolarHBondContact N-O 2.79Å; I195-N204 CarbonylContact O-C 3.56Å; I195-N204 PolarHBondContact O-N 3.16Å; I195-N204 VanDerWaalsContact O-N 3.1Å; N204-S766 PolarHBondContact ND2-O 2.92Å; N204-Y767 WeakPolarHBondContact ND2-CB 3.23Å; N204-Y767 WeakPolarHBondContact ND2-CD2 3.32Å |
| 205 | F | 85.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 21% | 0.211 | 19% | 0.192 | C | C | . | . | trans | -151.1 | -2.2 | -168.8 | -57 | -124.7 | 0 | 0 | 0 | 113.8 | Q192 W193 M194 V238 E765 S766 | Q192-F205 HydrophobicContact CB-CD1 4.28Å; Q192-F205 HydrophobicContact CB-CE1 3.85Å; W193-F205 VanDerWaalsContact O-CA 3.26Å; W193-F205 WeakPolarHBondContact O-CA 3.32Å; W193-F205 WeakPolarHBondContact O-CB 3.32Å; W193-F205 WeakPolarHBondContact O-CD1 3.34Å; W193-F205 WeakPolarHBondContact O-CG 3.18Å; M194-F205 HydrophobicContact CB-CD1 4.3Å; M194-F205 HydrophobicContact CB-CE1 4.38Å; M194-F205 HydrophobicContact CB-CG 4.45Å; M194-F205 HydrophobicContact CG-CD1 3.75Å; M194-F205 HydrophobicContact CG-CD2 4.13Å; M194-F205 HydrophobicContact CG-CE1 3.39Å; M194-F205 HydrophobicContact CG-CE2 3.8Å; M194-F205 HydrophobicContact CG-CG 4.06Å; M194-F205 HydrophobicContact CG-CZ 3.39Å; M194-F205 VanDerWaalsContact N-CD1 3.3Å; M194-F205 HydrophobicContact SD-CZ 4.23Å; F205-V238 HydrophobicContact CE1-CG2 4.28Å; F205-E765 HydrophobicContact CB-CB 3.72Å; F205-E765 HydrophobicContact CB-CG 3.62Å; F205-E765 HydrophobicContact CD1-CG 3.88Å; F205-E765 WeakPolarHBondContact CD1-OE2 3.16Å; F205-E765 HydrophobicContact CG-CG 3.99Å; F205-E765 WeakPolarHBondContact O-CA 3.43Å; F205-E765 PolarHBondContact O-N 3.43Å; F205-S766 VanDerWaalsContact CB-N 3.26Å; F205-S766 WeakPolarHBondContact CD2-OG 3.43Å | ||
| 206 | V | 80.6 | Confident | 77.1 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | trans | 82.3 | -81.9 | -150.8 | -141.3 | 0 | 0 | 0 | 0 | 124.7 | I195 I764 E765 S766 Y767 Y1030 | I195-V206 HydrophobicContact CB-CG2 4.26Å; I195-V206 HydrophobicContact CD1-CG2 3.59Å; I195-V206 HydrophobicContact CG2-CG2 3.76Å; I195-V206 VanDerWaalsContact CG2-N 3.3Å; V206-I764 HydrophobicContact CB-CB 3.64Å; V206-I764 HydrophobicContact CB-CG2 3.75Å; V206-I764 HydrophobicContact CG1-CB 3.59Å; V206-I764 HydrophobicContact CG1-CD1 3.59Å; V206-I764 HydrophobicContact CG1-CG1 4.17Å; V206-I764 HydrophobicContact CG1-CG2 3.58Å; V206-E765 VanDerWaalsContact C-C 3.43Å; V206-S766 CarbonylContact O-C 3.57Å; V206-S766 WeakPolarHBondContact O-CA 3.04Å; V206-S766 PolarHBondContact O-N 3.1Å; V206-Y767 WeakPolarHBondContact CA-O 3.38Å; V206-Y767 PolarHBondContact N-O 2.03Å; V206-Y767 PolarHBondContact O-N 2.87Å; V206-Y1030 PolarHBondContact O-OH 3.43Å; V206-Y1030 VanDerWaalsContact O-OH 3.08Å | ||
| 207 | H | 80.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | trans | -152.1 | 0 | 146.7 | -131.1 | 17.2 | 0 | 0 | 0 | 124.3 | P763 I764 E765 S766 W985 Y1030 | H207-P763 HydrophobicContact CB-CB 3.7Å; H207-P763 HydrophobicContact CB-CG 4.32Å; H207-P763 WeakPolarHBondContact CB-O 3.36Å; H207-P763 VanDerWaalsContact CG-CB 3.46Å; H207-P763 CarbonylContact O-C 3.59Å; H207-P763 VanDerWaalsContact O-CA 3.23Å; H207-P763 WeakPolarHBondContact O-CA 3.13Å; H207-P763 WeakPolarHBondContact O-CB 3.29Å; H207-P763 WeakPolarHBondContact O-CD 3.45Å; H207-P763 WeakPolarHBondContact O-CG 3.22Å; H207-I764 HydrophobicContact CB-CB 4.28Å; H207-I764 HydrophobicContact CB-CG1 4.27Å; H207-E765 CarbonylContact C-O 3.59Å; H207-E765 VanDerWaalsContact CA-O 3.26Å; H207-E765 WeakPolarHBondContact CA-O 3.37Å; H207-E765 PolarHBondContact ND1-O 3.37Å; H207-E765 CarbonylContact O-C 2.59Å; H207-E765 WeakPolarHBondContact O-CA 3.29Å; H207-E765 WeakPolarHBondContact O-CB 3.34Å; H207-E765 WeakPolarHBondContact O-CG 3.24Å; H207-S766 VanDerWaalsContact CA-N 3.29Å; H207-W985 AromaticContact NE2-CD1 3.35Å; H207-W985 VanDerWaalsContact NE2-CD1 3.35Å; H207-W985 AromaticContact NE2-NE1 3.49Å; H207-W985 PolarHBondContact NE2-NE1 3.07Å; H207-Y1030 HydrophobicContact CB-CE2 3.75Å | ||
| 208 | E | 79.2 | Confident | 77.8 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | S | Bend | 0 | 135.6 | 0 | -44.8 | -177.4 | -124.4 | 0 | 0 | 126.8 | H212 I214 N350 Y761 R762 P763 I764 E765 | E208-H212 CarbonylContact C-O 3.03Å; E208-I214 HydrophobicContact CG-CB 4.39Å; E208-I214 HydrophobicContact CG-CD1 3.47Å; E208-I214 VanDerWaalsContact CG-CD1 3.47Å; E208-I214 HydrophobicContact CG-CG1 3.78Å; E208-I214 WeakPolarHBondContact OE2-CA 3.32Å; E208-I214 WeakPolarHBondContact OE2-CB 3.45Å; E208-I214 WeakPolarHBondContact OE2-CG1 3.3Å; E208-I214 PolarHBondContact OE2-N 2.88Å; E208-N350 PolarHBondContact O-ND2 2.9Å; E208-N350 PolarHBondContact O-OD1 3.49Å; E208-Y761 WeakPolarHBondContact OE2-CE1 3.22Å; E208-R762 VanDerWaalsContact CB-O 3.24Å; E208-R762 WeakPolarHBondContact CB-O 3.2Å; E208-R762 WeakPolarHBondContact CG-O 2.92Å; E208-R762 CarbonylContact O-C 3.03Å; E208-R762 VanDerWaalsContact OE1-O 3.11Å; E208-P763 VanDerWaalsContact C-CA 3.41Å; E208-P763 VanDerWaalsContact CA-CA 3.44Å; E208-P763 VanDerWaalsContact CA-N 3.31Å; E208-P763 CarbonylContact O-C 2.74Å; E208-P763 WeakPolarHBondContact O-CA 3.34Å; E208-I764 WeakPolarHBondContact CA-O 3.39Å; E208-I764 PolarHBondContact O-N 2.89Å; E208-I764 VanDerWaalsContact O-N 3.11Å; E208-E765 HydrophobicContact CG-CB 4.01Å | |
| 209 | D | 74.2 | Confident | 78.8 | Confident | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | trans | -153.3 | -160 | -165.1 | 104.9 | -36.7 | 0 | 0 | 0 | 121.2 | N211 H212 I213 H351 I764 P955 | D209-N211 PolarHBondContact O-N 3.47Å; D209-N211 WeakPolarHBondContact OD1-CA 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.5Å; D209-N211 PolarHBondContact OD1-N 2.87Å; D209-H212 PolarHBondContact N-O 2.83Å; D209-H212 PolarHBondContact OD1-N 2.97Å; D209-I213 WeakPolarHBondContact O-CB 3.35Å; D209-I213 WeakPolarHBondContact O-CG1 3.21Å; D209-H351 WeakPolarHBondContact CB-NE2 3.46Å; D209-H351 IonicContact OD2-CE1 2.69Å; D209-H351 IonicContact OD2-NE2 3.26Å; D209-H351 PolarHBondContact OD2-NE2 2.9Å; D209-I764 HydrophobicContact CB-CB 3.84Å; D209-I764 HydrophobicContact CB-CG1 3.59Å; D209-I764 HydrophobicContact CB-CG2 3.87Å; D209-I764 VanDerWaalsContact CG-CG1 3.48Å; D209-I764 VanDerWaalsContact CG-CG2 3.42Å; D209-I764 WeakPolarHBondContact OD1-CG2 3.1Å; D209-P955 HydrophobicContact CB-CB 3.86Å; D209-P955 HydrophobicContact CB-CG 4.3Å | ||
| 210 | R | 72.2 | Confident | 79.8 | Confident | 51 Ų | 51 | 33.2 Ų | 33.2 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -44.3 | -34.1 | 168.8 | -78.1 | -157.6 | 155.2 | -177.2 | -15.6 | 117 | L223 H351 Y799 | R210-L223 WeakPolarHBondContact O-CD1 3.26Å; R210-H351 HydrophobicContact CG-CB 3.54Å; R210-H351 VanDerWaalsContact CG-CD2 3.41Å; R210-H351 WeakPolarHBondContact CG-CD2 3.49Å; R210-H351 VanDerWaalsContact CG-CE1 3.49Å; R210-H351 WeakPolarHBondContact CG-CE1 3.36Å; R210-H351 WeakPolarHBondContact CG-ND1 3.25Å; R210-H351 PolarHBondContact N-CD2 2.95Å; R210-H351 PolarHBondContact N-NE2 2.96Å; R210-Y799 HydrophobicContact CB-CD1 4.26Å; R210-Y799 HydrophobicContact CB-CE1 3.7Å; R210-Y799 WeakPolarHBondContact CD-OH 3.14Å; R210-Y799 HydrophobicContact CG-CD1 3.84Å; R210-Y799 HydrophobicContact CG-CE1 3.27Å; R210-Y799 VanDerWaalsContact NE-CE1 3.29Å; R210-Y799 PolarHBondContact NE-OH 3.32Å; R210-Y799 PolarHBondContact NH1-OH 2.92Å; R210-Y799 VanDerWaalsContact NH2-CZ 3.33Å; R210-Y799 PolarHBondContact NH2-OH 3.28Å |
| 211 | N | 77 | Confident | 80.9 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 24% | 0.241 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -117.3 | -21.2 | -165 | -73.9 | 4 | 0 | 0 | 0 | 112 | D209 L222 L223 | D209-N211 PolarHBondContact O-N 3.47Å; D209-N211 WeakPolarHBondContact OD1-CA 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.5Å; D209-N211 PolarHBondContact OD1-N 2.87Å; N211-L222 CarbonylContact O-C 3.47Å; N211-L222 VanDerWaalsContact O-CA 3.24Å; N211-L222 WeakPolarHBondContact O-CA 3.47Å; N211-L223 PolarHBondContact O-N 3.47Å |
| 212 | H | 80.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 29.6 Ų | 29.6 | 18% | 0.181 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 113.7 | 179.6 | -58.1 | 67.8 | 0 | 0 | 0 | 110.7 | E208 D209 L220 H221 L222 Y235 I764 | E208-H212 CarbonylContact C-O 3.03Å; D209-H212 PolarHBondContact N-O 2.83Å; D209-H212 PolarHBondContact OD1-N 2.97Å; H212-L220 HydrophobicContact CB-CD1 4.17Å; H212-H221 VanDerWaalsContact CA-O 3.29Å; H212-H221 WeakPolarHBondContact CA-O 3.49Å; H212-L222 HydrophobicContact CB-CD2 4.15Å; H212-L222 WeakPolarHBondContact CD2-CD2 3.18Å; H212-Y235 AromaticContact CD2-CE1 3.77Å; H212-Y235 PolarHBondContact CD2-OH 3.24Å; H212-Y235 AromaticContact NE2-CE1 3.7Å; H212-Y235 AromaticContact NE2-CZ 3.27Å; H212-Y235 VanDerWaalsContact NE2-CZ 3.27Å; H212-Y235 PolarHBondContact NE2-OH 2.8Å; H212-I764 HydrophobicContact CB-CG2 3.49Å; H212-I764 VanDerWaalsContact CB-CG2 3.49Å; H212-I764 WeakPolarHBondContact CB-O 3.35Å; H212-I764 VanDerWaalsContact ND1-CG2 3.28Å; H212-I764 WeakPolarHBondContact ND1-CG2 2.96Å |
| 213 | I | 84.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 126.9 | -160.1 | -146.6 | -159.8 | 0 | 0 | 0 | 113.3 | D209 L220 H221 L223 L353 Y761 W800 F801 N802 | D209-I213 WeakPolarHBondContact O-CB 3.35Å; D209-I213 WeakPolarHBondContact O-CG1 3.21Å; I213-L220 WeakPolarHBondContact O-CA 3.4Å; I213-H221 HydrophobicContact CG2-CB 3.88Å; I213-H221 PolarHBondContact N-O 3.36Å; I213-H221 PolarHBondContact O-N 2.76Å; I213-L223 HydrophobicContact CG2-CD1 4.17Å; I213-L353 HydrophobicContact CD1-CB 4.17Å; I213-L353 HydrophobicContact CD1-CD1 3.32Å; I213-L353 HydrophobicContact CD1-CD2 3.63Å; I213-L353 HydrophobicContact CD1-CG 3.91Å; I213-L353 HydrophobicContact CG1-CD1 4.15Å; I213-Y761 HydrophobicContact CD1-CD2 4.13Å; I213-Y761 HydrophobicContact CD1-CE2 3.21Å; I213-Y761 VanDerWaalsContact CD1-CZ 3.48Å; I213-Y761 VanDerWaalsContact CD1-OH 3.29Å; I213-Y761 WeakPolarHBondContact CD1-OH 3.03Å; I213-Y761 HydrophobicContact CG1-CD2 4.41Å; I213-Y761 HydrophobicContact CG1-CE1 4.1Å; I213-Y761 HydrophobicContact CG1-CE2 3.6Å; I213-Y761 VanDerWaalsContact CG1-OH 3.22Å; I213-Y761 WeakPolarHBondContact CG1-OH 3.31Å; I213-W800 WeakPolarHBondContact CD1-O 3.42Å; I213-W800 WeakPolarHBondContact CG2-O 3.38Å; I213-F801 HydrophobicContact CD1-CB 4.45Å; I213-N802 PolarHBondContact O-ND2 3.08Å; I213-N802 VanDerWaalsContact O-ND2 3.12Å |
| 214 | I | 87.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.9 | -165.4 | -53.8 | 170.5 | 0 | 0 | 0 | 111.7 | W193 E208 N219 L220 Y761 T805 | W193-I214 HydrophobicContact CB-CD1 4.25Å; W193-I214 HydrophobicContact CG-CD1 4.38Å; E208-I214 HydrophobicContact CG-CB 4.39Å; E208-I214 HydrophobicContact CG-CD1 3.47Å; E208-I214 VanDerWaalsContact CG-CD1 3.47Å; E208-I214 HydrophobicContact CG-CG1 3.78Å; E208-I214 WeakPolarHBondContact OE2-CA 3.32Å; E208-I214 WeakPolarHBondContact OE2-CB 3.45Å; E208-I214 WeakPolarHBondContact OE2-CG1 3.3Å; E208-I214 PolarHBondContact OE2-N 2.88Å; I214-N219 CarbonylContact C-O 3.57Å; I214-N219 WeakPolarHBondContact CA-O 3.4Å; I214-L220 HydrophobicContact CD1-CD1 4.41Å; I214-L220 HydrophobicContact CG1-CD1 3.5Å; I214-L220 VanDerWaalsContact CG1-CD1 3.5Å; I214-Y761 WeakPolarHBondContact O-CE1 3.42Å; I214-Y761 PolarHBondContact O-OH 2.95Å; I214-T805 WeakPolarHBondContact O-CG2 3.22Å |
| 215 | D | 87.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | trans | -86.6 | 161.8 | 168.4 | 73.7 | 41.8 | 0 | 0 | 0 | 114.2 | D217 G218 N219 H221 Y286 N802 T804 T805 | D215-D217 WeakPolarHBondContact OD1-CA 3.28Å; D215-D217 WeakPolarHBondContact OD1-CB 3.49Å; D215-D217 PolarHBondContact OD1-N 3.12Å; D215-D217 VanDerWaalsContact OD1-N 3.09Å; D215-G218 CarbonylContact O-C 2.8Å; D215-G218 WeakPolarHBondContact O-CA 3.37Å; D215-G218 PolarHBondContact O-N 3.06Å; D215-G218 PolarHBondContact OD1-N 3.09Å; D215-N219 VanDerWaalsContact CG-ND2 3.27Å; D215-N219 PolarHBondContact N-O 3.38Å; D215-N219 PolarHBondContact OD1-N 2.92Å; D215-N219 PolarHBondContact OD1-ND2 2.8Å; D215-N219 VanDerWaalsContact OD2-CB 3.24Å; D215-N219 WeakPolarHBondContact OD2-CB 3.24Å; D215-N219 PolarHBondContact OD2-ND2 3.35Å; D215-H221 IonicContact OD2-CD2 3.39Å; D215-H221 IonicContact OD2-NE2 3.94Å; D215-H221 PolarHBondContact OD2-NE2 2.88Å; D215-H221 VanDerWaalsContact OD2-NE2 3.11Å; D215-Y286 HydrophobicContact CB-CD1 4.49Å; D215-Y286 HydrophobicContact CB-CE1 4.1Å; D215-Y286 WeakPolarHBondContact OD2-CE1 3.22Å; D215-N802 HydrophobicContact CB-CB 3.4Å; D215-T804 WeakPolarHBondContact CB-OG1 3.15Å; D215-T804 VanDerWaalsContact CG-OG1 3.23Å; D215-T804 PolarHBondContact OD1-OG1 2.57Å; D215-T805 VanDerWaalsContact CA-CG2 3.47Å; D215-T805 HydrophobicContact CB-CG2 4.11Å | ||
| 216 | D | 86.3 | Confident | 80 | Confident | 44 Ų | 44 | 24.5 Ų | 24.5 | 24% | 0.235 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -13.2 | 177.6 | 14.6 | -55.7 | 0 | 0 | 0 | 116 | G218 T804 T805 N807 I808 | D216-G218 PolarHBondContact O-N 2.92Å; D216-T804 HydrophobicContact CB-CG2 4.17Å; D216-T804 VanDerWaalsContact CG-C 3.46Å; D216-T804 VanDerWaalsContact OD2-CG2 3.31Å; D216-T804 WeakPolarHBondContact OD2-CG2 3.43Å; D216-T805 VanDerWaalsContact OD1-CA 3.23Å; D216-T805 WeakPolarHBondContact OD1-CA 3.08Å; D216-T805 PolarHBondContact OD1-N 3.28Å; D216-N807 VanDerWaalsContact CG-O 3.3Å; D216-N807 WeakPolarHBondContact OD2-CA 3.28Å; D216-N807 WeakPolarHBondContact OD2-CB 3.33Å; D216-I808 HydrophobicContact CB-CD1 3.47Å; D216-I808 VanDerWaalsContact CB-CD1 3.47Å; D216-I808 HydrophobicContact CB-CG1 3.67Å; D216-I808 VanDerWaalsContact CG-CG1 3.43Å; D216-I808 WeakPolarHBondContact OD1-CB 2.93Å; D216-I808 WeakPolarHBondContact OD1-CG1 3.37Å; D216-I808 PolarHBondContact OD1-N 2.89Å |
| 217 | D | 85.1 | Confident | 78.7 | Confident | 88 Ų | 88 | 26.4 Ų | 26.4 | 47% | 0.471 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.5 | 159.2 | -70 | -51.2 | 0 | 0 | 0 | 109.5 | D215 N219 Y286 T804 | D215-D217 WeakPolarHBondContact OD1-CA 3.28Å; D215-D217 WeakPolarHBondContact OD1-CB 3.49Å; D215-D217 PolarHBondContact OD1-N 3.12Å; D215-D217 VanDerWaalsContact OD1-N 3.09Å; D217-N219 WeakPolarHBondContact CB-ND2 3.37Å; D217-Y286 PolarHBondContact OD2-OH 2.72Å; D217-T804 HydrophobicContact CB-CG2 4.05Å; D217-T804 WeakPolarHBondContact CB-OG1 3.43Å; D217-T804 VanDerWaalsContact N-CB 3.28Å; D217-T804 VanDerWaalsContact N-CG2 3.35Å; D217-T804 PolarHBondContact N-OG1 2.68Å; D217-T804 WeakPolarHBondContact OD2-CB 3.17Å; D217-T804 WeakPolarHBondContact OD2-CG2 3.4Å; D217-T804 PolarHBondContact OD2-OG1 3.18Å |
| 218 | G | 86.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | 100.3 | 6.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | C180 W193 D215 D216 | C180-G218 VanDerWaalsContact CB-C 3.49Å; C180-G218 WeakPolarHBondContact CB-O 3.36Å; W193-G218 PolarHBondContact NE1-O 3.13Å; D215-G218 CarbonylContact O-C 2.8Å; D215-G218 WeakPolarHBondContact O-CA 3.37Å; D215-G218 PolarHBondContact O-N 3.06Å; D215-G218 PolarHBondContact OD1-N 3.09Å; D216-G218 PolarHBondContact O-N 2.92Å | ||
| 219 | N | 90.3 | Very high | 75.5 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | trans | -85.2 | 138.6 | -170.5 | -35.4 | -67.3 | 0 | 0 | 0 | 111.9 | I177 L178 N179 C180 I214 D215 D217 H221 | I177-N219 HydrophobicContact CG2-CB 4.14Å; L178-N219 CarbonylContact O-C 3.57Å; L178-N219 WeakPolarHBondContact O-CA 3.31Å; L178-N219 VanDerWaalsContact O-CB 3.29Å; L178-N219 WeakPolarHBondContact O-CB 3.22Å; N179-N219 WeakPolarHBondContact CA-OD1 3.46Å; N179-N219 WeakPolarHBondContact CB-OD1 3.37Å; C180-N219 PolarHBondContact N-OD1 3.25Å; I214-N219 CarbonylContact C-O 3.57Å; I214-N219 WeakPolarHBondContact CA-O 3.4Å; D215-N219 VanDerWaalsContact CG-ND2 3.27Å; D215-N219 PolarHBondContact N-O 3.38Å; D215-N219 PolarHBondContact OD1-N 2.92Å; D215-N219 PolarHBondContact OD1-ND2 2.8Å; D215-N219 VanDerWaalsContact OD2-CB 3.24Å; D215-N219 WeakPolarHBondContact OD2-CB 3.24Å; D215-N219 PolarHBondContact OD2-ND2 3.35Å; D217-N219 WeakPolarHBondContact CB-ND2 3.37Å; N219-H221 PolarHBondContact O-CD2 3.43Å | ||
| 220 | L | 89.4 | Confident | 74.3 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.5 | 178.5 | -174.4 | 73.4 | 0 | 0 | 0 | 110.6 | I177 L178 W193 H212 I213 I214 L222 Y235 | I177-L220 CarbonylContact C-O 3.55Å; I177-L220 WeakPolarHBondContact CA-O 3.12Å; L178-L220 HydrophobicContact CB-CB 4.28Å; L178-L220 HydrophobicContact CD1-CD2 4.23Å; L178-L220 PolarHBondContact N-O 3.35Å; L178-L220 PolarHBondContact O-N 2.77Å; W193-L220 HydrophobicContact CB-CD2 4.25Å; W193-L220 HydrophobicContact CD2-CB 3.88Å; W193-L220 HydrophobicContact CD2-CD2 4.24Å; W193-L220 HydrophobicContact CG-CB 3.97Å; W193-L220 HydrophobicContact CG-CD1 4.46Å; W193-L220 HydrophobicContact CG-CD2 4.15Å; W193-L220 HydrophobicContact CG-CG 4.45Å; W193-L220 HydrophobicContact CZ2-CB 4.23Å; H212-L220 HydrophobicContact CB-CD1 4.17Å; I213-L220 WeakPolarHBondContact O-CA 3.4Å; I214-L220 HydrophobicContact CD1-CD1 4.41Å; I214-L220 HydrophobicContact CG1-CD1 3.5Å; I214-L220 VanDerWaalsContact CG1-CD1 3.5Å; L220-L222 HydrophobicContact CD2-CD2 3.71Å; L220-L222 HydrophobicContact CG-CD2 3.94Å; L220-Y235 HydrophobicContact CD2-CD1 3.48Å; L220-Y235 VanDerWaalsContact CD2-CD1 3.48Å; L220-Y235 HydrophobicContact CD2-CE1 3.65Å |
| 221 | H | 87.8 | Confident | 73.7 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.3 | 178.5 | -63.4 | -129.7 | 0 | 0 | 0 | 109.5 | I177 H212 I213 D215 N219 L223 Y286 I305 N802 | I177-H221 WeakPolarHBondContact CG1-ND1 3.27Å; I177-H221 WeakPolarHBondContact CG2-NE2 3.2Å; H212-H221 VanDerWaalsContact CA-O 3.29Å; H212-H221 WeakPolarHBondContact CA-O 3.49Å; I213-H221 HydrophobicContact CG2-CB 3.88Å; I213-H221 PolarHBondContact N-O 3.36Å; I213-H221 PolarHBondContact O-N 2.76Å; D215-H221 IonicContact OD2-CD2 3.39Å; D215-H221 IonicContact OD2-NE2 3.94Å; D215-H221 PolarHBondContact OD2-NE2 2.88Å; D215-H221 VanDerWaalsContact OD2-NE2 3.11Å; N219-H221 PolarHBondContact O-CD2 3.43Å; H221-L223 HydrophobicContact CB-CD2 4.3Å; H221-Y286 AromaticContact CE1-CD1 3.97Å; H221-I305 HydrophobicContact CB-CD1 4.48Å; H221-N802 VanDerWaalsContact CD2-CG 3.44Å; H221-N802 PolarHBondContact CD2-ND2 2.93Å; H221-N802 PolarHBondContact CD2-OD1 2.99Å; H221-N802 PolarHBondContact CE1-OD1 2.81Å; H221-N802 VanDerWaalsContact CG-OD1 3.25Å; H221-N802 PolarHBondContact ND1-OD1 3.22Å; H221-N802 VanDerWaalsContact ND1-OD1 3.13Å; H221-N802 PolarHBondContact NE2-OD1 2.62Å |
| 222 | L | 84.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.9 | -167 | -61.6 | 179.2 | 0 | 0 | 0 | 111 | T175 K176 L178 N211 H212 L220 M225 Y235 L255 | T175-L222 CarbonylContact C-O 3.57Å; T175-L222 WeakPolarHBondContact CA-O 3.42Å; T175-L222 WeakPolarHBondContact CB-O 3.21Å; T175-L222 VanDerWaalsContact CG2-O 3.3Å; T175-L222 WeakPolarHBondContact CG2-O 3.37Å; K176-L222 HydrophobicContact CB-CB 4.37Å; K176-L222 HydrophobicContact CB-CD1 4.42Å; K176-L222 PolarHBondContact N-O 2.99Å; K176-L222 PolarHBondContact O-N 2.81Å; L178-L222 HydrophobicContact CD1-CD1 3.94Å; L178-L222 HydrophobicContact CD2-CD1 3.93Å; L178-L222 HydrophobicContact CG-CD1 3.84Å; L178-L222 HydrophobicContact CG-CG 4.35Å; N211-L222 CarbonylContact O-C 3.47Å; N211-L222 VanDerWaalsContact O-CA 3.24Å; N211-L222 WeakPolarHBondContact O-CA 3.47Å; H212-L222 HydrophobicContact CB-CD2 4.15Å; H212-L222 WeakPolarHBondContact CD2-CD2 3.18Å; L220-L222 HydrophobicContact CD2-CD2 3.71Å; L220-L222 HydrophobicContact CG-CD2 3.94Å; L222-M225 HydrophobicContact CB-CE 4.26Å; L222-M225 HydrophobicContact CB-CG 4.26Å; L222-M225 HydrophobicContact CB-SD 3.83Å; L222-M225 HydrophobicContact CD1-SD 4.04Å; L222-Y235 HydrophobicContact CD1-CE2 4.25Å; L222-Y235 HydrophobicContact CD2-CE1 3.92Å; L222-L255 HydrophobicContact CD1-CD1 3.33Å |
| 223 | L | 79.4 | Confident | 73.3 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -127.9 | 134.8 | -153.8 | -38.5 | 170.4 | 0 | 0 | 0 | 112.1 | T175 R210 N211 I213 H221 M225 W800 | T175-L223 HydrophobicContact CG2-CD2 3.56Å; R210-L223 WeakPolarHBondContact O-CD1 3.26Å; N211-L223 PolarHBondContact O-N 3.47Å; I213-L223 HydrophobicContact CG2-CD1 4.17Å; H221-L223 HydrophobicContact CB-CD2 4.3Å; L223-M225 PolarHBondContact O-N 2.94Å; L223-W800 HydrophobicContact CD1-CB 3.4Å; L223-W800 HydrophobicContact CD1-CG 3.76Å; L223-W800 HydrophobicContact CD2-CB 4.28Å; L223-W800 HydrophobicContact CD2-CD2 4.24Å; L223-W800 HydrophobicContact CD2-CG 3.69Å; L223-W800 HydrophobicContact CD2-CZ2 4.36Å; L223-W800 HydrophobicContact CG-CB 4.44Å; L223-W800 HydrophobicContact CG-CG 4.36Å | ||
| 224 | N | 65.7 | Low | 73.4 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 45.8 | 48 | -179.3 | -157.8 | 31.6 | 0 | 0 | 0 | 112.6 | N173 N226 Y307 | N173-N224 WeakPolarHBondContact CB-OD1 3.29Å; N224-N226 VanDerWaalsContact C-N 3.33Å; N224-N226 PolarHBondContact O-N 3.08Å; N224-Y307 WeakPolarHBondContact CA-OH 3.5Å; N224-Y307 HydrophobicContact CB-CE2 3.66Å; N224-Y307 WeakPolarHBondContact CB-OH 3.33Å; N224-Y307 VanDerWaalsContact CG-OH 3.3Å; N224-Y307 PolarHBondContact N-OH 2.94Å; N224-Y307 PolarHBondContact OD1-OH 3.29Å; N224-Y307 VanDerWaalsContact OD1-OH 3.04Å |
| 225 | M | 62.8 | Low | 73.5 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | trans | -62.9 | 91.6 | -172.3 | -71.9 | -169.7 | -72.9 | 0 | 0 | 111.4 | T170 N173 E174 K176 L222 L223 L255 | T170-M225 HydrophobicContact CG2-CE 3.88Å; T170-M225 VanDerWaalsContact OG1-CE 3.32Å; T170-M225 WeakPolarHBondContact OG1-CE 3.31Å; N173-M225 PolarHBondContact N-O 3.12Å; E174-M225 VanDerWaalsContact O-CE 3.28Å; E174-M225 WeakPolarHBondContact O-CE 3.44Å; K176-M225 HydrophobicContact CB-CE 3.93Å; K176-M225 HydrophobicContact CG-CE 3.45Å; K176-M225 VanDerWaalsContact CG-CE 3.45Å; L222-M225 HydrophobicContact CB-CE 4.26Å; L222-M225 HydrophobicContact CB-CG 4.26Å; L222-M225 HydrophobicContact CB-SD 3.83Å; L222-M225 HydrophobicContact CD1-SD 4.04Å; L223-M225 PolarHBondContact O-N 2.94Å; M225-L255 HydrophobicContact CE-CD2 4.11Å; M225-L255 HydrophobicContact SD-CD1 4.43Å; M225-L255 HydrophobicContact SD-CD2 4.39Å | ||
| 226 | N | 57.8 | Low | 73.6 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | trans | -54.2 | 131.4 | 172.7 | -104 | -9.3 | 0 | 0 | 0 | 108.6 | N173 N224 F228 | N173-N226 PolarHBondContact OD1-OD1 2.7Å; N224-N226 VanDerWaalsContact C-N 3.33Å; N224-N226 PolarHBondContact O-N 3.08Å; N226-F228 PolarHBondContact O-N 3.44Å | ||
| 227 | P | 52.7 | Low | 73.9 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | trans | -73.8 | 92.7 | 175.6 | 33.4 | -36.3 | 0 | 0 | 0 | 109 | P172 P229 F257 | P172-P227 HydrophobicContact CB-CB 4.18Å; P172-P227 HydrophobicContact CB-CG 3.69Å; P172-P227 HydrophobicContact CG-CB 3.9Å; P172-P227 HydrophobicContact CG-CG 3.79Å; P227-P229 WeakPolarHBondContact O-CD 3.41Å; P227-F257 HydrophobicContact CB-CD1 4.45Å | ||
| 228 | F | 49 | Very low | 74.2 | Confident | 127 Ų | 127 | 35.9 Ų | 35.9 | 56% | 0.557 | 19% | 0.186 | S | C | * | . | trans | -60.8 | 119.9 | 157.4 | -71.1 | -88.2 | 0 | 0 | 0 | 107.2 | N226 H230 R231 | N226-F228 PolarHBondContact O-N 3.44Å; F228-H230 PolarHBondContact O-N 3.07Å; F228-R231 HydrophobicContact CB-CB 4.35Å; F228-R231 HydrophobicContact CB-CG 4.18Å; F228-R231 PolarHBondContact O-N 3.11Å | ||
| 229 | P | 44.1 | Very low | 74.4 | Confident | 96 Ų | 96 | 36 Ų | 36 | 62% | 0.623 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 127 | -171.3 | 24.2 | -33.3 | 0 | 0 | 0 | 110.3 | P227 R231 | P227-P229 WeakPolarHBondContact O-CD 3.41Å; P229-R231 PolarHBondContact O-N 2.89Å |
| 230 | H | 50.6 | Low | 74.2 | Confident | 159 Ų | 159 | 37.7 Ų | 37.7 | 74% | 0.736 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -5.9 | 175.2 | -50.5 | -72 | 0 | 0 | 0 | 118.9 | F228 | F228-H230 PolarHBondContact O-N 3.07Š|
| 231 | R | 59.6 | Low | 74.1 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.177 | 19% | 0.193 | C | C | . | . | trans | -87.2 | 129.2 | -167.3 | -55.8 | -177.8 | 180 | -169 | -13.4 | 114.6 | E199 F228 P229 L769 I770 | E199-R231 WeakPolarHBondContact OE1-CA 3.22Å; F228-R231 HydrophobicContact CB-CB 4.35Å; F228-R231 HydrophobicContact CB-CG 4.18Å; F228-R231 PolarHBondContact O-N 3.11Å; P229-R231 PolarHBondContact O-N 2.89Å; R231-L769 HydrophobicContact CB-CD1 3.63Å; R231-L769 HydrophobicContact CB-CD2 3.89Å; R231-L769 HydrophobicContact CB-CG 4.38Å; R231-L769 HydrophobicContact CG-CD1 4.24Å; R231-L769 HydrophobicContact CG-CD2 4.04Å; R231-L769 PolarHBondContact NH1-O 2.93Å; R231-I770 PolarHBondContact NH2-O 2.9Å | ||
| 232 | N | 69.4 | Low | 73.6 | Confident | 56 Ų | 56 | 43 Ų | 43 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | -103 | 142.8 | 178.6 | -68.5 | -38.6 | 0 | 0 | 0 | 111.9 | D198 L256 | D198-N232 HydrophobicContact CB-CB 3.89Å; D198-N232 PolarHBondContact N-O 3.05Å; N232-L256 WeakPolarHBondContact OD1-CD2 3.29Å | ||
| 233 | L | 78.1 | Confident | 73.6 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136 | -175.4 | -71.7 | 175.3 | 0 | 0 | 0 | 112.1 | I195 Y235 K254 L255 L769 | I195-L233 HydrophobicContact CD1-CB 4.33Å; I195-L233 HydrophobicContact CD1-CD1 4.18Å; I195-L233 HydrophobicContact CD1-CD2 3.81Å; I195-L233 HydrophobicContact CD1-CG 4.34Å; L233-Y235 HydrophobicContact CB-CD2 4.43Å; L233-Y235 HydrophobicContact CB-CE2 3.79Å; L233-Y235 HydrophobicContact CD1-CE2 4.31Å; L233-K254 CarbonylContact O-C 3.39Å; L233-K254 WeakPolarHBondContact O-CA 3.29Å; L233-L255 PolarHBondContact O-N 2.88Å; L233-L769 HydrophobicContact CD1-CD1 4.49Å; L233-L769 HydrophobicContact CD2-CD1 3.51Å; L233-L769 HydrophobicContact CD2-CG 4.19Å; L233-L769 HydrophobicContact CG-CD1 4.06Å |
| 234 | T | 86.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 111 | I195 K196 D198 D252 I253 K254 | I195-T234 CarbonylContact C-O 3.53Å; I195-T234 VanDerWaalsContact CA-O 3.28Å; I195-T234 WeakPolarHBondContact CA-O 3.34Å; I195-T234 VanDerWaalsContact CG1-O 3.3Å; I195-T234 WeakPolarHBondContact CG1-O 3.47Å; K196-T234 PolarHBondContact N-O 3.34Å; K196-T234 PolarHBondContact O-N 2.71Å; D198-T234 PolarHBondContact OD1-OG1 2.78Å; T234-D252 HydrophobicContact CG2-CB 3.62Å; T234-I253 CarbonylContact C-O 3.58Å; T234-I253 WeakPolarHBondContact CA-O 3.32Å; T234-K254 HydrophobicContact CG2-CG 4.27Å; T234-K254 WeakPolarHBondContact OG1-CG 3.41Å; T234-K254 PolarHBondContact OG1-NZ 2.82Å |
| 235 | Y | 89.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139 | 179.9 | -66.8 | -101.1 | 0 | 0 | 0 | 111.7 | L178 M194 I195 H212 L220 L222 L233 D252 I253 L255 | L178-Y235 HydrophobicContact CD1-CD1 3.86Å; L178-Y235 HydrophobicContact CD1-CD2 3.81Å; L178-Y235 HydrophobicContact CD1-CG 3.42Å; L178-Y235 VanDerWaalsContact CD1-CG 3.42Å; M194-Y235 CarbonylContact O-C 2.88Å; M194-Y235 WeakPolarHBondContact O-CA 3.46Å; I195-Y235 HydrophobicContact CB-CD1 4.16Å; I195-Y235 HydrophobicContact CB-CE1 4.32Å; I195-Y235 HydrophobicContact CD1-CD1 3.92Å; I195-Y235 HydrophobicContact CD1-CD2 4.33Å; I195-Y235 HydrophobicContact CD1-CE1 3.34Å; I195-Y235 HydrophobicContact CD1-CE2 3.8Å; I195-Y235 HydrophobicContact CD1-CG 4.38Å; I195-Y235 HydrophobicContact CG1-CD1 3.72Å; I195-Y235 HydrophobicContact CG1-CD2 4.16Å; I195-Y235 HydrophobicContact CG1-CE1 3.72Å; I195-Y235 HydrophobicContact CG1-CE2 4.15Å; I195-Y235 HydrophobicContact CG1-CG 3.97Å; H212-Y235 AromaticContact CD2-CE1 3.77Å; H212-Y235 PolarHBondContact CD2-OH 3.24Å; H212-Y235 AromaticContact NE2-CE1 3.7Å; H212-Y235 AromaticContact NE2-CZ 3.27Å; H212-Y235 VanDerWaalsContact NE2-CZ 3.27Å; H212-Y235 PolarHBondContact NE2-OH 2.8Å; L220-Y235 HydrophobicContact CD2-CD1 3.48Å; L220-Y235 VanDerWaalsContact CD2-CD1 3.48Å; L220-Y235 HydrophobicContact CD2-CE1 3.65Å; L222-Y235 HydrophobicContact CD1-CE2 4.25Å; L222-Y235 HydrophobicContact CD2-CE1 3.92Å; L233-Y235 HydrophobicContact CB-CD2 4.43Å; L233-Y235 HydrophobicContact CB-CE2 3.79Å; L233-Y235 HydrophobicContact CD1-CE2 4.31Å; Y235-D252 CarbonylContact O-C 3.57Å; Y235-I253 PolarHBondContact N-O 3.27Å; Y235-I253 WeakPolarHBondContact O-CA 3.46Å; Y235-I253 WeakPolarHBondContact O-CB 3.48Å; Y235-I253 PolarHBondContact O-N 2.85Å; Y235-L255 HydrophobicContact CD2-CD1 3.85Å; Y235-L255 HydrophobicContact CE2-CD1 3.45Å; Y235-L255 VanDerWaalsContact CE2-CD1 3.45Å |
| 236 | T | 91.2 | Very high | 75.3 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 114.2 | -171.7 | -42.8 | 0 | 0 | 0 | 0 | 110.2 | M194 G250 D252 | M194-T236 PolarHBondContact N-O 2.74Å; M194-T236 PolarHBondContact O-N 3.42Å; T236-G250 WeakPolarHBondContact CG2-O 3.39Å; T236-D252 PolarHBondContact OG1-OD1 2.91Å |
| 237 | C | 92.5 | Very high | 76.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 151.8 | -180 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | F160 C180 V191 Q192 W193 T249 G250 | F160-C237 HydrophobicContact CE1-CB 3.94Å; F160-C237 HydrophobicContact CZ-CB 3.99Å; C180-C237 HydrophobicContact CB-CB 3.74Å; C180-C237 WeakPolarHBondContact CB-SG 3.11Å; C180-C237 WeakPolarHBondContact SG-CB 3.19Å; C180-C237 CovalentContact SG-SG 2.02Å; C180-C237 PolarHBondContact SG-SG 2.73Å; V191-C237 WeakPolarHBondContact CG1-SG 3.26Å; Q192-C237 CarbonylContact O-C 3.42Å; W193-C237 HydrophobicContact CD2-CB 4Å; W193-C237 HydrophobicContact CE3-CB 4.09Å; W193-C237 HydrophobicContact CH2-CB 3.96Å; W193-C237 HydrophobicContact CZ2-CB 3.86Å; W193-C237 HydrophobicContact CZ3-CB 4.07Å; C237-T249 CarbonylContact O-C 3.51Å; C237-T249 WeakPolarHBondContact O-CA 3.48Å; C237-G250 PolarHBondContact O-N 3.43Å |
| 238 | V | 91.4 | Very high | 78.3 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.1 | 178.7 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | V191 Q192 M194 F205 M247 K248 T249 | V191-V238 WeakPolarHBondContact CA-O 3.39Å; Q192-V238 HydrophobicContact CB-CB 4.33Å; Q192-V238 PolarHBondContact N-O 3.2Å; Q192-V238 PolarHBondContact O-N 2.58Å; M194-V238 HydrophobicContact CB-CG2 4.27Å; M194-V238 HydrophobicContact CG-CG2 3.61Å; M194-V238 HydrophobicContact SD-CG2 3.43Å; M194-V238 WeakPolarHBondContact SD-CG2 3.48Å; F205-V238 HydrophobicContact CE1-CG2 4.28Å; V238-M247 HydrophobicContact CG1-CB 4.42Å; V238-K248 CarbonylContact C-O 3.53Å; V238-K248 WeakPolarHBondContact CA-O 3.34Å; V238-T249 HydrophobicContact CG1-CG2 4.4Å; V238-T249 HydrophobicContact CG2-CG2 4.36Å |
| 239 | I | 89.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.6 | 169.8 | 54.9 | 167.9 | 0 | 0 | 0 | 110.9 | I157 F160 T182 A189 K190 V191 M247 K248 | I157-I239 HydrophobicContact CD1-CG1 4.4Å; I157-I239 HydrophobicContact CG1-CD1 3.99Å; I157-I239 HydrophobicContact CG1-CG1 4.38Å; F160-I239 HydrophobicContact CE2-CD1 4.48Å; F160-I239 HydrophobicContact CE2-CG1 4.09Å; T182-I239 HydrophobicContact CG2-CD1 4.07Å; T182-I239 HydrophobicContact CG2-CG2 3.96Å; A189-I239 HydrophobicContact CB-CB 4.18Å; K190-I239 CarbonylContact O-C 2.69Å; K190-I239 WeakPolarHBondContact O-CA 3.48Å; V191-I239 HydrophobicContact CG1-CG2 4.45Å; V191-I239 HydrophobicContact CG2-CG2 4.21Å; I239-M247 CarbonylContact O-C 3.49Å; I239-M247 WeakPolarHBondContact O-CA 3.36Å; I239-M247 WeakPolarHBondContact O-CB 3.33Å; I239-K248 HydrophobicContact CG1-CB 4.13Å; I239-K248 PolarHBondContact N-O 2.88Å; I239-K248 PolarHBondContact O-N 2.8Å |
| 240 | H | 87.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 26% | 0.255 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.3 | -176.8 | 174.9 | -163.7 | 0 | 0 | 0 | 111.3 | A189 K190 T246 M247 | A189-H240 CarbonylContact C-O 3.59Å; A189-H240 VanDerWaalsContact CA-O 3.23Å; A189-H240 WeakPolarHBondContact CA-O 3.32Å; A189-H240 VanDerWaalsContact CB-O 3.29Å; A189-H240 WeakPolarHBondContact CB-O 3.39Å; K190-H240 PolarHBondContact N-O 3.47Å; K190-H240 PolarHBondContact O-N 3.2Å; H240-T246 PolarHBondContact CD2-O 3.21Å; H240-M247 HydrophobicContact CB-CB 4.32Å |
| 241 | N | 85.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.1 | 176.4 | -173.8 | -33.2 | 0 | 0 | 0 | 110.7 | R156 I157 I186 A189 I243 L244 H245 T246 | R156-N241 PolarHBondContact O-ND2 3.08Å; I157-N241 HydrophobicContact CB-CB 3.98Å; I157-N241 HydrophobicContact CD1-CB 4.12Å; I157-N241 HydrophobicContact CG1-CB 4.27Å; I186-N241 PolarHBondContact O-ND2 2.97Å; A189-N241 HydrophobicContact CB-CB 4.45Å; N241-I243 VanDerWaalsContact C-N 3.3Å; N241-I243 PolarHBondContact O-N 3.1Å; N241-I243 PolarHBondContact OD1-N 2.75Å; N241-L244 HydrophobicContact CB-CB 4.37Å; N241-L244 PolarHBondContact O-N 2.81Å; N241-L244 PolarHBondContact OD1-N 3.21Å; N241-H245 PolarHBondContact O-N 2.78Å; N241-H245 VanDerWaalsContact O-N 3.13Å; N241-T246 PolarHBondContact N-O 3.4Å; N241-T246 PolarHBondContact O-N 2.85Å |
| 242 | L | 78.8 | Confident | 85.5 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 62% | 0.618 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.5 | -175.5 | -65 | 173 | 0 | 0 | 0 | 114.9 | H245 | L242-H245 PolarHBondContact O-CE1 2.89Å; L242-H245 VanDerWaalsContact O-CE1 3.29Å; L242-H245 PolarHBondContact O-ND1 2.98Å |
| 243 | I | 83 | Confident | 86.5 | Confident | 52 Ų | 52 | 42 Ų | 42 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -23.7 | 178.9 | -55.2 | -63.6 | 0 | 0 | 0 | 111.5 | Y38 N40 A155 P187 N241 | Y38-I243 HydrophobicContact CD2-CG1 4.45Å; Y38-I243 HydrophobicContact CG-CG1 4.42Å; N40-I243 HydrophobicContact CB-CG2 4.35Å; N40-I243 WeakPolarHBondContact CB-O 3.49Å; N40-I243 PolarHBondContact ND2-O 3.23Å; A155-I243 HydrophobicContact CB-CB 3.89Å; A155-I243 HydrophobicContact CB-CG2 3.59Å; P187-I243 HydrophobicContact CG-CG1 3.65Å; N241-I243 VanDerWaalsContact C-N 3.3Å; N241-I243 PolarHBondContact O-N 3.1Å; N241-I243 PolarHBondContact OD1-N 2.75Å |
| 244 | L | 82.7 | Confident | 86.8 | Confident | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 2.9 | 178.4 | -64.2 | 177.5 | 0 | 0 | 0 | 112.8 | N40 P41 A155 I157 N241 T246 | N40-L244 HydrophobicContact CB-CD2 4.49Å; N40-L244 WeakPolarHBondContact OD1-CD2 3.43Å; P41-L244 VanDerWaalsContact CD-CD2 3.45Å; P41-L244 HydrophobicContact CG-CD2 4.48Å; A155-L244 HydrophobicContact CB-CD1 4.32Å; A155-L244 HydrophobicContact CB-CD2 3.72Å; A155-L244 HydrophobicContact CB-CG 3.75Å; I157-L244 HydrophobicContact CB-CD1 4.1Å; I157-L244 HydrophobicContact CG2-CD1 3.95Å; N241-L244 HydrophobicContact CB-CB 4.37Å; N241-L244 PolarHBondContact O-N 2.81Å; N241-L244 PolarHBondContact OD1-N 3.21Å; L244-T246 WeakPolarHBondContact CB-OG1 3.24Å; L244-T246 VanDerWaalsContact O-CG2 3.32Å; L244-T246 WeakPolarHBondContact O-CG2 3.19Å; L244-T246 PolarHBondContact O-N 3.4Å; L244-T246 PolarHBondContact O-OG1 2.92Å; L244-T246 VanDerWaalsContact O-OG1 3.07Å |
| 245 | H | 81.7 | Confident | 86.5 | Confident | 139 Ų | 139 | 43 Ų | 43 | 64% | 0.644 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 30.5 | -173.2 | -60.3 | -58.2 | 0 | 0 | 0 | 114.8 | N241 L242 | N241-H245 PolarHBondContact O-N 2.78Å; N241-H245 VanDerWaalsContact O-N 3.13Å; L242-H245 PolarHBondContact O-CE1 2.89Å; L242-H245 VanDerWaalsContact O-CE1 3.29Å; L242-H245 PolarHBondContact O-ND1 2.98Å |
| 246 | T | 79.4 | Confident | 85.7 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.3 | -171.1 | 38.3 | 0 | 0 | 0 | 0 | 112.5 | I157 H240 N241 L244 | I157-T246 VanDerWaalsContact CD1-O 3.27Å; I157-T246 WeakPolarHBondContact CD1-O 3.37Å; H240-T246 PolarHBondContact CD2-O 3.21Å; N241-T246 PolarHBondContact N-O 3.4Å; N241-T246 PolarHBondContact O-N 2.85Å; L244-T246 WeakPolarHBondContact CB-OG1 3.24Å; L244-T246 VanDerWaalsContact O-CG2 3.32Å; L244-T246 WeakPolarHBondContact O-CG2 3.19Å; L244-T246 PolarHBondContact O-N 3.4Å; L244-T246 PolarHBondContact O-OG1 2.92Å; L244-T246 VanDerWaalsContact O-OG1 3.07Å |
| 247 | M | 86.3 | Confident | 84.5 | Confident | 140 Ų | 140 | 46.6 Ų | 46.6 | 69% | 0.69 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.5 | 175.2 | 60.4 | 178 | 172.7 | 0 | 0 | 111.8 | V238 I239 H240 | V238-M247 HydrophobicContact CG1-CB 4.42Å; I239-M247 CarbonylContact O-C 3.49Å; I239-M247 WeakPolarHBondContact O-CA 3.36Å; I239-M247 WeakPolarHBondContact O-CB 3.33Å; H240-M247 HydrophobicContact CB-CB 4.32Å |
| 248 | K | 87.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.4 | 171.1 | -62.2 | -175.8 | -165.2 | 163.6 | 0 | 111 | I157 G158 V238 I239 | I157-K248 HydrophobicContact CD1-CG 4.22Å; I157-K248 PolarHBondContact O-NZ 3.34Å; G158-K248 VanDerWaalsContact O-CD 3.28Å; G158-K248 WeakPolarHBondContact O-CD 3.34Å; G158-K248 WeakPolarHBondContact O-CE 3.46Å; G158-K248 PolarHBondContact O-NZ 2.8Å; V238-K248 CarbonylContact C-O 3.53Å; V238-K248 WeakPolarHBondContact CA-O 3.34Å; I239-K248 HydrophobicContact CG1-CB 4.13Å; I239-K248 PolarHBondContact N-O 2.88Å; I239-K248 PolarHBondContact O-N 2.8Å |
| 249 | T | 88.5 | Confident | 80.8 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 153 | 177.1 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | F160 M194 C237 V238 | F160-T249 WeakPolarHBondContact CD2-O 3.33Å; F160-T249 WeakPolarHBondContact CE2-O 3.48Å; M194-T249 HydrophobicContact SD-CG2 4.38Å; C237-T249 CarbonylContact O-C 3.51Å; C237-T249 WeakPolarHBondContact O-CA 3.48Å; V238-T249 HydrophobicContact CG1-CG2 4.4Å; V238-T249 HydrophobicContact CG2-CG2 4.36Å |
| 250 | G | 88.4 | Confident | 78.4 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -162.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F160 T236 C237 | F160-G250 VanDerWaalsContact CD1-CA 3.49Å; F160-G250 VanDerWaalsContact CE2-N 3.31Å; F160-G250 VanDerWaalsContact CG-CA 3.49Å; T236-G250 WeakPolarHBondContact CG2-O 3.39Å; C237-G250 PolarHBondContact O-N 3.43Å |
| 251 | P | 90.1 | Very high | 76 | Confident | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.1 | 174.3 | 29.2 | -32.6 | 0 | 0 | 0 | 112.1 | D162 N164 K166 | D162-P251 WeakPolarHBondContact O-CD 3.25Å; D162-P251 WeakPolarHBondContact O-CG 3.37Å; N164-P251 VanDerWaalsContact O-CB 3.27Å; N164-P251 WeakPolarHBondContact O-CB 3.41Å; K166-P251 HydrophobicContact CD-CG 4.43Å |
| 252 | D | 87.8 | Confident | 73.5 | Confident | 60 Ų | 60 | 74 Ų | 74 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 138.2 | 166.3 | -78.9 | 19 | 0 | 0 | 0 | 110.8 | P165 K166 T234 Y235 T236 | P165-D252 CarbonylContact C-O 2.67Å; P165-D252 VanDerWaalsContact CA-O 3.25Å; P165-D252 WeakPolarHBondContact CA-O 3.32Å; P165-D252 HydrophobicContact CB-CB 4.25Å; K166-D252 PolarHBondContact N-O 2.83Å; T234-D252 HydrophobicContact CG2-CB 3.62Å; Y235-D252 CarbonylContact O-C 3.57Å; T236-D252 PolarHBondContact OG1-OD1 2.91Å |
| 253 | I | 90 | Very high | 71.4 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 102.1 | -179.1 | -50.7 | -175.3 | 0 | 0 | 0 | 109.7 | K166 I168 L178 W193 T234 Y235 | K166-I253 HydrophobicContact CB-CG1 4.28Å; K166-I253 HydrophobicContact CB-CG2 4.25Å; K166-I253 CarbonylContact O-C 3.41Å; K166-I253 WeakPolarHBondContact O-CA 3.43Å; I168-I253 HydrophobicContact CD1-CG2 3.49Å; I168-I253 VanDerWaalsContact CD1-CG2 3.49Å; I168-I253 HydrophobicContact CG1-CG2 4.02Å; L178-I253 HydrophobicContact CB-CD1 4.21Å; L178-I253 HydrophobicContact CD1-CG2 4.44Å; L178-I253 HydrophobicContact CD2-CG2 4.16Å; W193-I253 HydrophobicContact CH2-CD1 3.76Å; W193-I253 HydrophobicContact CZ3-CD1 3.86Å; T234-I253 CarbonylContact C-O 3.58Å; T234-I253 WeakPolarHBondContact CA-O 3.32Å; Y235-I253 PolarHBondContact N-O 3.27Å; Y235-I253 WeakPolarHBondContact O-CA 3.46Å; Y235-I253 WeakPolarHBondContact O-CB 3.48Å; Y235-I253 PolarHBondContact O-N 2.85Å |
| 254 | K | 84.7 | Confident | 68.9 | Low | 46 Ų | 46 | 77.1 Ų | 77.1 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.3 | -178.7 | -75.4 | -179.3 | 176.1 | -57.8 | 0 | 112.3 | K166 F167 I168 D198 L233 T234 | K166-K254 PolarHBondContact O-N 2.88Å; F167-K254 CarbonylContact C-O 3.5Å; F167-K254 WeakPolarHBondContact CA-O 3.36Å; F167-K254 HydrophobicContact CD1-CB 3.86Å; F167-K254 HydrophobicContact CD1-CD 4.17Å; F167-K254 HydrophobicContact CE1-CB 4.18Å; F167-K254 HydrophobicContact CE1-CD 3.59Å; F167-K254 HydrophobicContact CE1-CG 4.44Å; F167-K254 HydrophobicContact CZ-CD 4.23Å; I168-K254 PolarHBondContact N-O 3.11Å; D198-K254 IonicContact OD1-NZ 2.65Å; D198-K254 PolarHBondContact OD1-NZ 3.43Å; D198-K254 IonicContact OD2-NZ 3.33Å; D198-K254 PolarHBondContact OD2-NZ 2.9Å; L233-K254 CarbonylContact O-C 3.39Å; L233-K254 WeakPolarHBondContact O-CA 3.29Å; T234-K254 HydrophobicContact CG2-CG 4.27Å; T234-K254 WeakPolarHBondContact OG1-CG 3.41Å; T234-K254 PolarHBondContact OG1-NZ 2.82Å |
| 255 | L | 80.3 | Confident | 66.5 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.5 | 174.4 | -98.5 | 149.3 | 0 | 0 | 0 | 111.1 | I168 T170 K176 L178 L222 M225 L233 Y235 | I168-L255 HydrophobicContact CB-CD2 4.15Å; I168-L255 HydrophobicContact CB-CG 4.25Å; I168-L255 HydrophobicContact CG2-CD2 3.83Å; I168-L255 HydrophobicContact CG2-CG 4.41Å; I168-L255 WeakPolarHBondContact O-CA 3.32Å; T170-L255 HydrophobicContact CG2-CD2 3.7Å; K176-L255 HydrophobicContact CG-CD2 4.39Å; L178-L255 HydrophobicContact CD2-CD1 4.38Å; L222-L255 HydrophobicContact CD1-CD1 3.33Å; M225-L255 HydrophobicContact CE-CD2 4.11Å; M225-L255 HydrophobicContact SD-CD1 4.43Å; M225-L255 HydrophobicContact SD-CD2 4.39Å; L233-L255 PolarHBondContact O-N 2.88Å; Y235-L255 HydrophobicContact CD2-CD1 3.85Å; Y235-L255 HydrophobicContact CE2-CD1 3.45Å; Y235-L255 VanDerWaalsContact CE2-CD1 3.45Å |
| 256 | L | 72.8 | Confident | 64.1 | Low | 34 Ų | 34 | 82 Ų | 82 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.9 | -171.4 | -63.1 | 176.7 | 0 | 0 | 0 | 111.2 | F167 I168 Y169 T170 N232 | F167-L256 HydrophobicContact CD1-CD1 4.07Å; I168-L256 PolarHBondContact O-N 3.07Å; Y169-L256 WeakPolarHBondContact CA-O 3.29Å; Y169-L256 HydrophobicContact CD1-CB 3.68Å; Y169-L256 HydrophobicContact CD1-CD1 4.14Å; Y169-L256 HydrophobicContact CE1-CB 3.8Å; Y169-L256 HydrophobicContact CE1-CD1 3.44Å; Y169-L256 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L256 HydrophobicContact CE1-CG 4.28Å; Y169-L256 HydrophobicContact CE2-CD1 4.48Å; Y169-L256 HydrophobicContact CG-CB 4.49Å; T170-L256 PolarHBondContact N-O 2.86Å; N232-L256 WeakPolarHBondContact OD1-CD2 3.29Å |
| 257 | F | 66.4 | Low | 61.9 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 24% | 0.237 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 151.4 | 177 | -65.6 | -87.4 | 0 | 0 | 0 | 112.2 | T170 P227 | T170-F257 HydrophobicContact CG2-CD1 3.65Å; T170-F257 HydrophobicContact CG2-CE1 3.44Å; T170-F257 VanDerWaalsContact CG2-CE1 3.44Å; T170-F257 HydrophobicContact CG2-CG 4.29Å; T170-F257 HydrophobicContact CG2-CZ 3.92Å; P227-F257 HydrophobicContact CB-CD1 4.45Å |
| 258 | H | 60 | Low | 59.5 | Low | 146 Ų | 146 | 84.6 Ų | 84.6 | 68% | 0.676 | 50% | 0.503 | S | S | * | . | trans | -88.6 | 123.6 | -179 | -135.7 | 72.3 | 0 | 0 | 0 | 111.6 | ||||
| 259 | S | 45.5 | Very low | 57.1 | Low | 92 Ų | 92 | 86.1 Ų | 86.1 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | trans | -130.2 | 126.1 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 260 | N | 40.3 | Very low | 54.4 | Low | 146 Ų | 146 | 88.3 Ų | 88.3 | 78% | 0.781 | 53% | 0.534 | S | S | * | . | trans | -167.1 | 141.3 | 179.5 | -90.4 | -50.8 | 0 | 0 | 0 | 107.6 | ||||
| 261 | A | 37.1 | Very low | 51.8 | Low | 89 Ų | 89 | 94 Ų | 94 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | cis | -151.4 | 171.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 262 | L | 32.8 | Very low | 49.1 | Very low | 170 Ų | 170 | 100.9 Ų | 100.9 | 89% | 0.89 | 61% | 0.605 | S | S | * | * | trans | -74.9 | 154.2 | -176.9 | -66.6 | 63.2 | 0 | 0 | 0 | 112.8 | ||||
| 263 | A | 34.5 | Very low | 46.5 | Very low | 97 Ų | 97 | 107 Ų | 107 | 80% | 0.802 | 63% | 0.628 | S | S | * | * | -175.4 | 133.2 | 125.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 264 | T | 30.4 | Very low | 43.8 | Very low | 137 Ų | 137 | 113.3 Ų | 113.3 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | trans | -86.3 | 123.6 | 163.6 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 265 | T | 32.6 | Very low | 41.2 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | trans | -167.5 | 155.9 | 147 | 13.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 266 | T | 30.8 | Very low | 39.5 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -83.5 | 109.3 | 175.3 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 267 | T | 32.6 | Very low | 38.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 168 | 134.6 | 142.5 | 34.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 268 | P | 36.7 | Very low | 37.4 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -86.5 | 131.4 | 174.2 | 33.3 | -31.8 | 0 | 0 | 0 | 111.9 | ||||
| 269 | P | 36.9 | Very low | 37 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | -147.2 | 148.4 | 125.9 | 34.4 | -18.1 | 0 | 0 | 0 | 116.3 | |||||
| 270 | T | 32.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 58.5 | 120.4 | 153.1 | 53 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 271 | P | 33.2 | Very low | 38.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -91.9 | 137.5 | 173.3 | 35.2 | -32.5 | 0 | 0 | 0 | 113.7 | ||||
| 272 | I | 32.9 | Very low | 40.3 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | trans | -128.4 | 96.2 | 171.7 | -59.3 | -176 | 0 | 0 | 0 | 112 | ||||
| 273 | K | 34.2 | Very low | 42.4 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | trans | 52.9 | 134.3 | 140 | -68.9 | -173.1 | 174.8 | -179 | 0 | 123.4 | ||||
| 274 | T | 32.7 | Very low | 44.7 | Very low | 139 Ų | 139 | 120 Ų | 120 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | trans | 75.1 | 106.1 | 142.4 | 46.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 275 | M | 30.6 | Very low | 47.2 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 86% | 0.857 | 64% | 0.635 | S | S | * | * | trans | -108.6 | 152.1 | 159.5 | -169.7 | 168.1 | 73.7 | 0 | 0 | 108.7 | ||||
| 276 | P | 44 | Very low | 49.8 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147.9 | -171.7 | -18.6 | 33 | 0 | 0 | 0 | 114.5 | ||
| 277 | E | 46.5 | Very low | 52.7 | Low | 157 Ų | 157 | 109.1 Ų | 109.1 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.6 | 172 | -67.1 | -164.3 | 94.3 | 0 | 0 | 112.5 | K280 | E277-K280 IonicContact OE1-NZ 2.61Å; E277-K280 PolarHBondContact OE1-NZ 2.84Å |
| 278 | L | 48.8 | Very low | 55.4 | Low | 73 Ų | 73 | 103.2 Ų | 103.2 | 38% | 0.382 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 155.6 | 169.9 | -79.1 | 105.1 | 0 | 0 | 0 | 112.1 | N173 K280 | N173-L278 HydrophobicContact CB-CD2 4.03Å; L278-K280 PolarHBondContact O-N 3.14Å |
| 279 | P | 51.8 | Low | 58 | Low | 68 Ų | 68 | 100 Ų | 100 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | trans | -67.3 | 101.3 | -176.5 | 26.8 | -35.2 | 0 | 0 | 0 | 113.1 | R281 | P279-R281 PolarHBondContact O-N 3.1Š| ||
| 280 | K | 55.1 | Low | 60.4 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | trans | -74.1 | 52.2 | 167 | -62.3 | 164 | -179.9 | 166.2 | 0 | 111.6 | E277 L278 N796 | E277-K280 IonicContact OE1-NZ 2.61Å; E277-K280 PolarHBondContact OE1-NZ 2.84Å; L278-K280 PolarHBondContact O-N 3.14Å; K280-N796 PolarHBondContact O-OD1 3.19Å | ||
| 281 | R | 65 | Low | 63.2 | Low | 158 Ų | 158 | 94.7 Ų | 94.7 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -161.7 | 143.1 | 172.3 | -142.2 | 176.7 | -170.9 | -162 | -1.7 | 111.7 | P279 N796 | P279-R281 PolarHBondContact O-N 3.1Å; R281-N796 CarbonylContact C-O 2.93Å; R281-N796 VanDerWaalsContact C-O 3.27Å |
| 282 | I | 72 | Confident | 65.9 | Low | 11 Ų | 11 | 89.4 Ų | 89.4 | 6% | 0.056 | 45% | 0.45 | C | S | . | . | trans | -75.8 | 141 | 177.4 | 16 | -170.7 | 0 | 0 | 0 | 110.7 | M306 P384 K795 N796 L798 | I282-M306 HydrophobicContact CG2-CB 4.05Å; I282-P384 HydrophobicContact CB-CG 3.62Å; I282-P384 HydrophobicContact CD1-CG 3.88Å; I282-P384 HydrophobicContact CG1-CG 3.64Å; I282-K795 HydrophobicContact CD1-CB 3.95Å; I282-K795 HydrophobicContact CG1-CB 4.26Å; I282-N796 WeakPolarHBondContact CA-O 3.49Å; I282-N796 VanDerWaalsContact CG2-C 3.49Å; I282-N796 WeakPolarHBondContact CG2-O 3.31Å; I282-N796 PolarHBondContact N-O 2.7Å; I282-L798 HydrophobicContact CD1-CD1 3.61Å; I282-L798 HydrophobicContact CD1-CD2 4.1Å; I282-L798 HydrophobicContact CG2-CB 4.05Å; I282-L798 HydrophobicContact CG2-CD1 3.66Å; I282-L798 HydrophobicContact CG2-CD2 3.98Å; I282-L798 HydrophobicContact CG2-CG 4.07Å | ||
| 283 | Q | 76.6 | Confident | 68.5 | Low | 114 Ų | 114 | 86.1 Ų | 86.1 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 132.5 | -177.3 | -59.3 | 177.4 | -7.6 | 0 | 0 | 108.2 | L285 W800 | Q283-L285 PolarHBondContact O-N 3.05Å; Q283-W800 WeakPolarHBondContact O-CZ3 3.43Å |
| 284 | I | 83 | Confident | 71.1 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.5 | -176.7 | -30.1 | 108.2 | 0 | 0 | 0 | 108.7 | Y286 H287 I305 M306 P384 V386 | I284-Y286 VanDerWaalsContact C-N 3.34Å; I284-H287 HydrophobicContact CG2-CB 3.69Å; I284-I305 WeakPolarHBondContact CA-O 3.5Å; I284-I305 HydrophobicContact CG2-CG2 4.27Å; I284-I305 WeakPolarHBondContact CG2-O 3.48Å; I284-M306 HydrophobicContact CB-CE 4.37Å; I284-M306 HydrophobicContact CB-SD 4.15Å; I284-M306 HydrophobicContact CG1-CE 3.58Å; I284-M306 HydrophobicContact CG1-CG 4.49Å; I284-M306 HydrophobicContact CG1-SD 3.42Å; I284-M306 WeakPolarHBondContact CG1-SD 3.42Å; I284-M306 HydrophobicContact CG2-CE 3.92Å; I284-M306 HydrophobicContact CG2-CG 4.22Å; I284-M306 HydrophobicContact CG2-SD 4.12Å; I284-P384 HydrophobicContact CD1-CB 4.14Å; I284-P384 HydrophobicContact CG1-CB 4.02Å; I284-V386 HydrophobicContact CB-CG2 4.45Å; I284-V386 HydrophobicContact CD1-CG2 3.83Å; I284-V386 HydrophobicContact CG1-CG2 3.88Å; I284-V386 HydrophobicContact CG2-CG2 4.12Å |
| 285 | L | 82.7 | Confident | 73.6 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -74.5 | -27.3 | 174.6 | -59.4 | -162 | 0 | 0 | 0 | 113.4 | T175 I177 Q283 I305 W800 | T175-L285 HydrophobicContact CG2-CD1 4.31Å; I177-L285 HydrophobicContact CD1-CD1 3.97Å; I177-L285 HydrophobicContact CG1-CD1 4.27Å; Q283-L285 PolarHBondContact O-N 3.05Å; L285-I305 HydrophobicContact CB-CD1 4.22Å; L285-I305 HydrophobicContact CB-CG2 3.59Å; L285-I305 HydrophobicContact CG-CG2 4.41Å; L285-W800 HydrophobicContact CB-CZ2 4.46Å; L285-W800 HydrophobicContact CD1-CD2 4.35Å; L285-W800 HydrophobicContact CD1-CH2 3.89Å; L285-W800 HydrophobicContact CD1-CZ2 3.16Å; L285-W800 HydrophobicContact CD2-CH2 3.51Å; L285-W800 HydrophobicContact CD2-CZ2 3.69Å; L285-W800 HydrophobicContact CD2-CZ3 4.11Å; L285-W800 HydrophobicContact CG-CD2 4.12Å; L285-W800 VanDerWaalsContact CG-CE2 3.47Å; L285-W800 HydrophobicContact CG-CE3 4.07Å; L285-W800 HydrophobicContact CG-CH2 3.32Å; L285-W800 HydrophobicContact CG-CZ2 3.15Å; L285-W800 HydrophobicContact CG-CZ3 3.7Å |
| 286 | Y | 88.7 | Confident | 76.2 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | trans | -169.4 | 105.4 | -154.1 | -133.3 | -142.1 | 0 | 0 | 0 | 109.5 | D215 D217 H221 I284 I305 N802 Q803 T804 | D215-Y286 HydrophobicContact CB-CD1 4.49Å; D215-Y286 HydrophobicContact CB-CE1 4.1Å; D215-Y286 WeakPolarHBondContact OD2-CE1 3.22Å; D217-Y286 PolarHBondContact OD2-OH 2.72Å; H221-Y286 AromaticContact CE1-CD1 3.97Å; I284-Y286 VanDerWaalsContact C-N 3.34Å; Y286-I305 WeakPolarHBondContact O-CB 3.37Å; Y286-I305 WeakPolarHBondContact O-CG2 3.29Å; Y286-I305 PolarHBondContact O-N 3.31Å; Y286-N802 HydrophobicContact CD1-CB 3.77Å; Y286-N802 VanDerWaalsContact CD1-OD1 3.28Å; Y286-N802 WeakPolarHBondContact CD1-OD1 3.18Å; Y286-N802 HydrophobicContact CE1-CB 4.46Å; Y286-N802 CarbonylContact O-C 3.42Å; Y286-Q803 HydrophobicContact CD1-CB 3.42Å; Y286-Q803 VanDerWaalsContact CD1-CB 3.42Å; Y286-Q803 HydrophobicContact CD2-CB 3.15Å; Y286-Q803 HydrophobicContact CD2-CG 3.84Å; Y286-Q803 HydrophobicContact CE1-CB 3.59Å; Y286-Q803 HydrophobicContact CE2-CB 3.35Å; Y286-Q803 HydrophobicContact CE2-CG 3.67Å; Y286-Q803 HydrophobicContact CG-CB 3.09Å; Y286-Q803 HydrophobicContact CG-CG 4.26Å; Y286-Q803 PolarHBondContact O-N 3.36Å; Y286-T804 WeakPolarHBondContact CE1-OG1 3.35Å; Y286-T804 PolarHBondContact OH-OG1 2.93Å; Y286-T804 VanDerWaalsContact OH-OG1 3.14Å | ||
| 287 | H | 89.8 | Confident | 77.9 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | trans | -143.3 | 75.4 | -171.3 | 51.7 | 78.3 | 0 | 0 | 0 | 114.9 | I284 V386 F388 Q803 | I284-H287 HydrophobicContact CG2-CB 3.69Å; H287-V386 HydrophobicContact CB-CB 4.15Å; H287-V386 HydrophobicContact CB-CG1 4.36Å; H287-V386 HydrophobicContact CB-CG2 3.66Å; H287-F388 HydrophobicContact CB-CE1 4.36Å; H287-F388 HydrophobicContact CB-CZ 4.02Å; H287-F388 WeakPolarHBondContact O-CE1 3.37Å; H287-Q803 PolarHBondContact ND1-OE1 2.84Å; H287-Q803 VanDerWaalsContact O-CD 3.26Å; H287-Q803 PolarHBondContact O-NE2 3.01Å; H287-Q803 PolarHBondContact O-OE1 3.1Å | ||
| 288 | S | 91.3 | Very high | 79.7 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | trans | 1.3 | 167.1 | 178 | -80.4 | 0 | 0 | 0 | 0 | 127.6 | S290 F388 Q803 F806 N807 | S288-S290 PolarHBondContact O-N 2.9Å; S288-S290 VanDerWaalsContact O-N 3.09Å; S288-F388 VanDerWaalsContact CB-CE1 3.48Å; S288-Q803 VanDerWaalsContact CA-CD 3.48Å; S288-Q803 VanDerWaalsContact CA-O 3.24Å; S288-Q803 WeakPolarHBondContact CA-O 3.48Å; S288-Q803 WeakPolarHBondContact CB-O 3.39Å; S288-Q803 VanDerWaalsContact N-CG 3.31Å; S288-Q803 PolarHBondContact O-NE2 2.87Å; S288-Q803 VanDerWaalsContact OG-C 3.29Å; S288-Q803 PolarHBondContact OG-O 3.11Å; S288-F806 WeakPolarHBondContact OG-CA 2.93Å; S288-F806 WeakPolarHBondContact OG-CB 3.39Å; S288-F806 PolarHBondContact OG-N 3.44Å; S288-F806 PolarHBondContact OG-O 3.14Å; S288-N807 WeakPolarHBondContact CB-OD1 3.27Å; S288-N807 PolarHBondContact OG-OD1 2.81Å | ||
| 289 | P | 90.9 | Very high | 81.5 | Confident | 59 Ų | 59 | 60 Ų | 60 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | trans | -51.2 | 116.6 | 147.5 | -14.6 | 31.2 | 0 | 0 | 0 | 108.5 | Q292 N807 | P289-Q292 HydrophobicContact CB-CG 4.42Å; P289-Q292 PolarHBondContact O-NE2 2.93Å; P289-N807 WeakPolarHBondContact CD-OD1 2.81Å | ||
| 290 | S | 87.4 | Confident | 83.4 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 12% | 0.119 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -57.8 | -62.9 | 169.5 | -38.7 | 0 | 0 | 0 | 0 | 108.8 | S288 I387 N389 Q810 | S288-S290 PolarHBondContact O-N 2.9Å; S288-S290 VanDerWaalsContact O-N 3.09Å; S290-I387 WeakPolarHBondContact CB-O 3.21Å; S290-I387 PolarHBondContact OG-O 3.29Å; S290-N389 CarbonylContact C-O 3.52Å; S290-N389 WeakPolarHBondContact CB-OD1 3.47Å; S290-N389 CarbonylContact O-C 3.47Å; S290-N389 VanDerWaalsContact O-CA 3.22Å; S290-N389 WeakPolarHBondContact O-CA 3.46Å; S290-N389 PolarHBondContact O-N 3.34Å; S290-Q810 PolarHBondContact O-NE2 3.46Å |
| 291 | N | 89.9 | Confident | 85 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | trans | -73.4 | 119.8 | -172 | -53.2 | -69.1 | 0 | 0 | 0 | 111.9 | N389 | N291-N389 CarbonylContact C-O 3.59Å; N291-N389 VanDerWaalsContact C-O 3.31Å; N291-N389 WeakPolarHBondContact CA-O 3.41Å; N291-N389 HydrophobicContact CB-CB 4.36Å; N291-N389 WeakPolarHBondContact OD1-CB 3.29Å; N291-N389 PolarHBondContact OD1-ND2 3.15Å | ||
| 292 | Q | 89.4 | Confident | 86.3 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | trans | -136.3 | 152.4 | 176.8 | -54.1 | -162.5 | 23.4 | 0 | 0 | 111.1 | P289 S301 N389 V390 T391 F806 Q810 Q814 | P289-Q292 HydrophobicContact CB-CG 4.42Å; P289-Q292 PolarHBondContact O-NE2 2.93Å; Q292-S301 PolarHBondContact OE1-O 3.13Å; Q292-N389 PolarHBondContact N-O 3.13Å; Q292-V390 CarbonylContact O-C 3.46Å; Q292-T391 WeakPolarHBondContact O-CB 3.26Å; Q292-T391 PolarHBondContact O-N 2.96Å; Q292-T391 PolarHBondContact O-OG1 3.06Å; Q292-F806 PolarHBondContact NE2-O 3.34Å; Q292-Q810 HydrophobicContact CB-CG 3.92Å; Q292-Q810 WeakPolarHBondContact CB-O 3.46Å; Q292-Q810 VanDerWaalsContact CD-CB 3.47Å; Q292-Q810 VanDerWaalsContact CD-CG 3.49Å; Q292-Q810 HydrophobicContact CG-CB 4.19Å; Q292-Q810 HydrophobicContact CG-CG 3.66Å; Q292-Q810 VanDerWaalsContact OE1-C 3.29Å; Q292-Q814 PolarHBondContact O-NE2 2.69Å; Q292-Q814 PolarHBondContact O-OE1 3.46Å | ||
| 293 | I | 88.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 45% | 0.451 | 23% | 0.23 | S | C | . | . | trans | -149.3 | 151.3 | -157.4 | -76 | 175.6 | 0 | 0 | 0 | 113.4 | E393 | I293-E393 WeakPolarHBondContact CG1-OE1 3.23Å; I293-E393 WeakPolarHBondContact CG2-OE1 3.21Å | ||
| 294 | V | 88.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | trans | -171.8 | -159.1 | -152.9 | 88.2 | 0 | 0 | 0 | 0 | 126.9 | E393 H476 S811 Q814 Q815 I818 | V294-E393 CarbonylContact C-O 3.51Å; V294-E393 VanDerWaalsContact C-O 3.23Å; V294-E393 HydrophobicContact CG1-CB 4.13Å; V294-E393 WeakPolarHBondContact O-CB 3.33Å; V294-H476 PolarHBondContact O-CD2 3.18Å; V294-H476 PolarHBondContact O-CE1 2.83Å; V294-H476 PolarHBondContact O-ND1 2.02Å; V294-H476 PolarHBondContact O-NE2 3.37Å; V294-S811 WeakPolarHBondContact CG2-O 3.03Å; V294-Q814 HydrophobicContact CB-CB 3.45Å; V294-Q814 VanDerWaalsContact CB-CB 3.45Å; V294-Q814 HydrophobicContact CB-CG 4.24Å; V294-Q814 VanDerWaalsContact CG1-CA 3.44Å; V294-Q814 HydrophobicContact CG1-CB 3.37Å; V294-Q814 HydrophobicContact CG1-CG 4.09Å; V294-Q814 WeakPolarHBondContact CG1-O 3.26Å; V294-Q814 VanDerWaalsContact CG2-C 3.5Å; V294-Q814 HydrophobicContact CG2-CB 3.53Å; V294-Q815 VanDerWaalsContact CG2-CA 3.47Å; V294-Q815 HydrophobicContact CG2-CB 3.48Å; V294-Q815 VanDerWaalsContact CG2-CB 3.48Å; V294-Q815 HydrophobicContact CG2-CG 4.21Å; V294-I818 HydrophobicContact CG1-CD1 3.73Å | ||
| 295 | L | 86.1 | Confident | 88 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | trans | -155.4 | 126.3 | -154.7 | -89.7 | 158.6 | 0 | 0 | 0 | 119.1 | N297 E393 K395 H476 Q815 I818 | L295-N297 WeakPolarHBondContact O-CA 3.03Å; L295-N297 PolarHBondContact O-N 2.77Å; L295-N297 VanDerWaalsContact O-N 3.08Å; L295-E393 WeakPolarHBondContact CA-O 3.42Å; L295-E393 PolarHBondContact N-O 3.25Å; L295-E393 VanDerWaalsContact N-O 3.11Å; L295-K395 HydrophobicContact CD2-CD 4.48Å; L295-K395 HydrophobicContact CD2-CG 3.93Å; L295-H476 HydrophobicContact CD2-CB 3.55Å; L295-H476 WeakPolarHBondContact CD2-O 3.47Å; L295-H476 HydrophobicContact CG-CB 4.14Å; L295-Q815 HydrophobicContact CB-CG 4.37Å; L295-I818 VanDerWaalsContact C-CG2 3.41Å; L295-I818 WeakPolarHBondContact O-CG2 3.27Å | ||
| 296 | L | 83.6 | Confident | 88.1 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -50.1 | 108.2 | 165.5 | -118.3 | 81.8 | 0 | 0 | 0 | 108.6 | K395 H397 I423 I818 | L296-K395 HydrophobicContact CB-CB 4.44Å; L296-K395 HydrophobicContact CB-CG 4.46Å; L296-K395 WeakPolarHBondContact O-CD 3.39Å; L296-K395 WeakPolarHBondContact O-CE 3.43Å; L296-K395 PolarHBondContact O-NZ 2.88Å; L296-H397 WeakPolarHBondContact CD2-CE1 3.34Å; L296-H397 VanDerWaalsContact CD2-NE2 3.31Å; L296-H397 WeakPolarHBondContact CD2-NE2 3.21Å; L296-I423 HydrophobicContact CD1-CG2 4.07Å; L296-I423 HydrophobicContact CD2-CG2 4.48Å; L296-I818 CarbonylContact C-O 3.52Å; L296-I818 VanDerWaalsContact CA-CB 3.48Å; L296-I818 WeakPolarHBondContact CA-O 3.26Å; L296-I818 HydrophobicContact CB-CB 4.23Å; L296-I818 HydrophobicContact CB-CG1 3.85Å; L296-I818 VanDerWaalsContact CD1-CA 3.49Å; L296-I818 HydrophobicContact CD1-CB 3.93Å; L296-I818 HydrophobicContact CD1-CD1 4.33Å; L296-I818 HydrophobicContact CD1-CG1 3.19Å; L296-I818 VanDerWaalsContact CG-CA 3.46Å; L296-I818 HydrophobicContact CG-CB 4.11Å; L296-I818 HydrophobicContact CG-CG1 3.76Å; L296-I818 WeakPolarHBondContact CG-O 3.26Å; L296-I818 VanDerWaalsContact N-CG1 3.32Å |
| 297 | N | 80.9 | Confident | 87.5 | Confident | 63 Ų | 63 | 31.6 Ų | 31.6 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 152.9 | -156.2 | -139.5 | 25.9 | 95.7 | 0 | 0 | 0 | 114.6 | L295 K395 Q815 I818 N819 | L295-N297 WeakPolarHBondContact O-CA 3.03Å; L295-N297 PolarHBondContact O-N 2.77Å; L295-N297 VanDerWaalsContact O-N 3.08Å; N297-K395 PolarHBondContact OD1-NZ 2.82Å; N297-Q815 CarbonylContact C-O 3.49Å; N297-I818 PolarHBondContact N-O 3.22Å; N297-I818 CarbonylContact O-C 3.55Å; N297-N819 WeakPolarHBondContact CB-OD1 3.44Å; N297-N819 PolarHBondContact ND2-OD1 2.96Å; N297-N819 WeakPolarHBondContact O-CB 3.48Å; N297-N819 PolarHBondContact O-ND2 2.77Å; N297-N819 PolarHBondContact O-OD1 3.07Å |
| 298 | Q | 84.1 | Confident | 86.7 | Confident | 104 Ų | 104 | 29 Ų | 29 | 49% | 0.486 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -87.3 | -92.8 | -155.1 | -21.8 | 79.1 | -101.7 | 0 | 0 | 126.7 | Q815 S816 | Q298-Q815 CarbonylContact C-O 3.45Å; Q298-Q815 VanDerWaalsContact C-OE1 3.23Å; Q298-Q815 WeakPolarHBondContact CA-O 3.35Å; Q298-Q815 PolarHBondContact N-O 3.16Å; Q298-Q815 VanDerWaalsContact NE2-OE1 3.11Å; Q298-Q815 VanDerWaalsContact O-O 3.07Å; Q298-S816 WeakPolarHBondContact O-CB 3.15Å |
| 299 | S | 86.9 | Confident | 85.5 | Confident | 35 Ų | 35 | 33 Ų | 33 | 25% | 0.245 | 17% | 0.174 | C | C | . | . | trans | -164.7 | 119.5 | -163.7 | 68.6 | 0 | 0 | 0 | 0 | 124.3 | I357 M812 Q815 | S299-I357 VanDerWaalsContact CA-O 3.26Å; S299-I357 WeakPolarHBondContact CA-O 3.36Å; S299-I357 VanDerWaalsContact CB-O 3.27Å; S299-I357 WeakPolarHBondContact CB-O 3.34Å; S299-M812 CarbonylContact C-O 3.07Å; S299-M812 WeakPolarHBondContact CA-O 3.49Å; S299-M812 PolarHBondContact N-O 2.72Å; S299-M812 WeakPolarHBondContact O-CB 3.3Å; S299-M812 WeakPolarHBondContact O-CE 3.29Å; S299-Q815 PolarHBondContact N-O 2.89Å | ||
| 300 | L | 90.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | 16.9 | 159.6 | -172.1 | -117.5 | 73.4 | 0 | 0 | 0 | 126.7 | V390 I808 A809 Q810 M812 I813 Q814 | L300-V390 HydrophobicContact CD1-CG1 4.4Å; L300-V390 HydrophobicContact CD2-CG1 3.8Å; L300-I808 CarbonylContact C-O 3.55Å; L300-I808 CarbonylContact O-C 3.6Å; L300-A809 HydrophobicContact CB-CB 4.19Å; L300-A809 WeakPolarHBondContact CB-O 3.47Å; L300-A809 WeakPolarHBondContact CD2-O 3.1Å; L300-A809 WeakPolarHBondContact CG-O 3.33Å; L300-Q810 WeakPolarHBondContact CD1-O 3.13Å; L300-Q810 HydrophobicContact CD2-CB 4.36Å; L300-Q810 WeakPolarHBondContact CD2-O 3.46Å; L300-M812 VanDerWaalsContact C-CB 3.43Å; L300-M812 VanDerWaalsContact CA-CB 3.43Å; L300-M812 VanDerWaalsContact CA-N 3.25Å; L300-M812 HydrophobicContact CB-CB 4.24Å; L300-M812 VanDerWaalsContact CB-N 3.27Å; L300-M812 VanDerWaalsContact CG-C 3.44Å; L300-M812 PolarHBondContact N-O 2.94Å; L300-M812 WeakPolarHBondContact O-CB 3.33Å; L300-M812 WeakPolarHBondContact O-CE 3.43Å; L300-I813 VanDerWaalsContact CB-CA 3.42Å; L300-I813 HydrophobicContact CB-CB 3.59Å; L300-I813 HydrophobicContact CB-CD1 4.26Å; L300-I813 HydrophobicContact CB-CG1 3.18Å; L300-I813 HydrophobicContact CD1-CB 3.69Å; L300-I813 HydrophobicContact CD1-CG1 4.15Å; L300-I813 HydrophobicContact CD1-CG2 4.45Å; L300-I813 WeakPolarHBondContact CD1-O 3.28Å; L300-I813 VanDerWaalsContact CD2-CA 3.41Å; L300-I813 HydrophobicContact CD2-CB 3.15Å; L300-I813 HydrophobicContact CD2-CD1 3.17Å; L300-I813 HydrophobicContact CD2-CG1 2.95Å; L300-I813 HydrophobicContact CD2-CG2 3.61Å; L300-I813 HydrophobicContact CG-CB 3.43Å; L300-I813 VanDerWaalsContact CG-CB 3.43Å; L300-I813 HydrophobicContact CG-CD1 4.06Å; L300-I813 HydrophobicContact CG-CG1 3.3Å; L300-I813 HydrophobicContact CG-CG2 4.42Å; L300-Q814 HydrophobicContact CD1-CB 3.03Å; L300-Q814 HydrophobicContact CD1-CG 3.23Å; L300-Q814 HydrophobicContact CD2-CG 4.49Å | ||
| 301 | S | 89.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | trans | -150.5 | 0 | 160.9 | -89.8 | 0 | 0 | 0 | 0 | 124.4 | Q292 F806 N807 I808 A809 Q810 S811 M812 | Q292-S301 PolarHBondContact OE1-O 3.13Å; S301-F806 CarbonylContact C-O 3.56Å; S301-F806 CarbonylContact O-C 3.58Å; S301-N807 VanDerWaalsContact CA-O 3.27Å; S301-N807 WeakPolarHBondContact CA-O 3.16Å; S301-N807 WeakPolarHBondContact CB-O 3.46Å; S301-N807 CarbonylContact O-C 3.49Å; S301-N807 VanDerWaalsContact O-C 3.31Å; S301-N807 WeakPolarHBondContact O-CA 3.31Å; S301-N807 PolarHBondContact O-N 3.42Å; S301-N807 VanDerWaalsContact O-N 3.11Å; S301-N807 PolarHBondContact OG-O 3.08Å; S301-I808 VanDerWaalsContact C-C 3.42Å; S301-I808 WeakPolarHBondContact CA-O 3.13Å; S301-I808 PolarHBondContact N-O 2.79Å; S301-A809 VanDerWaalsContact N-N 3.16Å; S301-Q810 CarbonylContact O-C 3.1Å; S301-Q810 WeakPolarHBondContact O-CA 3.31Å; S301-Q810 WeakPolarHBondContact O-CB 3.45Å; S301-Q810 PolarHBondContact O-N 2.88Å; S301-S811 WeakPolarHBondContact CB-OG 3.16Å; S301-S811 VanDerWaalsContact N-N 3.12Å; S301-S811 PolarHBondContact O-N 2.9Å; S301-S811 PolarHBondContact OG-OG 3.07Å; S301-M812 VanDerWaalsContact N-N 3.1Å | ||
| 302 | I | 91.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | 0 | 84.6 | 0 | -170.7 | -153.3 | 0 | 0 | 0 | 123.9 | W316 L355 Y368 T805 F806 A809 Q810 I885 L915 | I302-W316 HydrophobicContact CD1-CE3 4.37Å; I302-W316 HydrophobicContact CD1-CH2 3.23Å; I302-W316 HydrophobicContact CD1-CZ2 3.17Å; I302-W316 HydrophobicContact CD1-CZ3 3.84Å; I302-W316 HydrophobicContact CG1-CH2 3.95Å; I302-W316 HydrophobicContact CG1-CZ2 4.01Å; I302-L355 HydrophobicContact CD1-CB 3.58Å; I302-L355 HydrophobicContact CD1-CD1 4.06Å; I302-L355 HydrophobicContact CD1-CG 4.24Å; I302-L355 HydrophobicContact CG1-CB 3.91Å; I302-L355 HydrophobicContact CG2-CB 4.04Å; I302-L355 HydrophobicContact CG2-CD1 4.46Å; I302-L355 PolarHBondContact O-N 2.7Å; I302-Y368 HydrophobicContact CD1-CD2 3.72Å; I302-Y368 HydrophobicContact CD1-CE2 3.9Å; I302-Y368 HydrophobicContact CG2-CD2 3.69Å; I302-Y368 HydrophobicContact CG2-CE2 3.37Å; I302-T805 CarbonylContact C-O 3.33Å; I302-T805 WeakPolarHBondContact CA-O 3.34Å; I302-T805 PolarHBondContact N-O 2.94Å; I302-F806 VanDerWaalsContact CA-CA 3.43Å; I302-F806 HydrophobicContact CB-CB 3.87Å; I302-F806 HydrophobicContact CB-CD1 3.96Å; I302-F806 HydrophobicContact CB-CD2 3.22Å; I302-F806 HydrophobicContact CB-CE1 4.18Å; I302-F806 HydrophobicContact CB-CE2 3.46Å; I302-F806 VanDerWaalsContact CB-CE2 3.46Å; I302-F806 HydrophobicContact CB-CG 3.42Å; I302-F806 VanDerWaalsContact CB-CG 3.42Å; I302-F806 HydrophobicContact CB-CZ 3.87Å; I302-F806 HydrophobicContact CD1-CD2 3.71Å; I302-F806 HydrophobicContact CD1-CE2 3.39Å; I302-F806 HydrophobicContact CD1-CZ 4.29Å; I302-F806 HydrophobicContact CG1-CB 4.44Å; I302-F806 HydrophobicContact CG1-CD2 3.28Å; I302-F806 HydrophobicContact CG1-CE2 3.46Å; I302-F806 VanDerWaalsContact CG1-CE2 3.46Å; I302-F806 HydrophobicContact CG1-CG 4.01Å; I302-F806 HydrophobicContact CG1-CZ 4.32Å; I302-F806 HydrophobicContact CG2-CD1 4.41Å; I302-F806 HydrophobicContact CG2-CD2 3.9Å; I302-F806 HydrophobicContact CG2-CE1 4.15Å; I302-F806 HydrophobicContact CG2-CE2 3.56Å; I302-F806 HydrophobicContact CG2-CG 4.25Å; I302-F806 HydrophobicContact CG2-CZ 3.61Å; I302-F806 PolarHBondContact N-O 3.13Å; I302-A809 VanDerWaalsContact CA-CB 3.4Å; I302-A809 VanDerWaalsContact CB-C 3.45Å; I302-A809 HydrophobicContact CB-CB 4.25Å; I302-A809 HydrophobicContact CG2-CB 4.44Å; I302-A809 WeakPolarHBondContact CG2-O 3.33Å; I302-A809 WeakPolarHBondContact O-CA 3.47Å; I302-A809 WeakPolarHBondContact O-CB 3.49Å; I302-A809 PolarHBondContact O-N 3.28Å; I302-A809 VanDerWaalsContact O-N 3.13Å; I302-Q810 HydrophobicContact CB-CB 3.86Å; I302-Q810 VanDerWaalsContact CG2-CA 3.43Å; I302-Q810 HydrophobicContact CG2-CB 3.45Å; I302-Q810 VanDerWaalsContact CG2-CB 3.45Å; I302-Q810 HydrophobicContact CG2-CG 4.3Å; I302-I885 HydrophobicContact CD1-CD1 3.94Å; I302-L915 HydrophobicContact CD1-CD1 3.85Å | |||
| 303 | K | 90.3 | Very high | 82.1 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | trans | -162.3 | 132.3 | 149 | -40.6 | 80.9 | 143.9 | -129.2 | 0 | 111.3 | L353 E354 Y761 F801 N802 T805 F806 I808 | K303-L353 WeakPolarHBondContact CB-O 3.4Å; K303-L353 WeakPolarHBondContact CG-O 3.38Å; K303-E354 HydrophobicContact CB-CB 4.46Å; K303-E354 HydrophobicContact CD-CB 4.43Å; K303-E354 HydrophobicContact CD-CG 4.09Å; K303-E354 WeakPolarHBondContact CD-OE1 3.29Å; K303-E354 WeakPolarHBondContact CE-OE1 3.13Å; K303-E354 WeakPolarHBondContact CE-OE2 3.4Å; K303-E354 HydrophobicContact CG-CB 3.57Å; K303-E354 HydrophobicContact CG-CG 3.73Å; K303-E354 IonicContact NZ-OE2 2.69Å; K303-Y761 HydrophobicContact CB-CD2 4.37Å; K303-Y761 HydrophobicContact CB-CE2 3.83Å; K303-Y761 HydrophobicContact CD-CE1 4.31Å; K303-Y761 HydrophobicContact CD-CE2 4.3Å; K303-Y761 HydrophobicContact CG-CD1 4.48Å; K303-Y761 HydrophobicContact CG-CD2 3.72Å; K303-Y761 HydrophobicContact CG-CE1 4.36Å; K303-Y761 HydrophobicContact CG-CE2 3.49Å; K303-Y761 VanDerWaalsContact CG-CE2 3.49Å; K303-Y761 HydrophobicContact CG-CG 4.13Å; K303-F801 VanDerWaalsContact C-C 3.47Å; K303-F801 VanDerWaalsContact C-CD1 3.47Å; K303-F801 CarbonylContact C-O 3.59Å; K303-F801 HydrophobicContact CB-CB 3.43Å; K303-F801 VanDerWaalsContact CB-CB 3.43Å; K303-F801 HydrophobicContact CB-CD1 3.69Å; K303-F801 HydrophobicContact CB-CG 4.07Å; K303-F801 CarbonylContact O-C 3.45Å; K303-F801 VanDerWaalsContact O-C 3.25Å; K303-N802 CarbonylContact O-C 2.87Å; K303-T805 HydrophobicContact CB-CG2 4.11Å; K303-T805 WeakPolarHBondContact CB-OG1 3.1Å; K303-T805 HydrophobicContact CD-CG2 3.27Å; K303-T805 WeakPolarHBondContact CD-O 3.36Å; K303-T805 VanDerWaalsContact CE-CG2 3.49Å; K303-T805 HydrophobicContact CG-CG2 3.86Å; K303-T805 PolarHBondContact N-O 3.07Å; K303-T805 CarbonylContact O-C 3.46Å; K303-T805 PolarHBondContact O-OG1 2.8Å; K303-F806 WeakPolarHBondContact O-CA 3.5Å; K303-F806 WeakPolarHBondContact O-CB 3.36Å; K303-F806 PolarHBondContact O-N 3.16Å; K303-I808 HydrophobicContact CD-CB 3.91Å; K303-I808 HydrophobicContact CD-CG2 4Å | ||
| 304 | C | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -107.3 | 130.1 | -174.2 | 168.8 | 0 | 0 | 0 | 0 | 123.4 | M306 W316 C370 F388 F801 F806 H912 | C304-M306 PolarHBondContact O-N 3.31Å; C304-W316 HydrophobicContact CB-CH2 3.14Å; C304-W316 HydrophobicContact CB-CZ2 3.86Å; C304-W316 HydrophobicContact CB-CZ3 3.86Å; C304-C370 HydrophobicContact CB-CB 3.39Å; C304-C370 WeakPolarHBondContact CB-SG 3.41Å; C304-C370 WeakPolarHBondContact SG-CB 3.38Å; C304-C370 CovalentContact SG-SG 2.02Å; C304-C370 PolarHBondContact SG-SG 3.37Å; C304-F388 HydrophobicContact CB-CE2 3.98Å; C304-F801 CarbonylContact C-O 3.58Å; C304-F801 WeakPolarHBondContact CA-O 3.27Å; C304-F801 HydrophobicContact CB-CD2 4.24Å; C304-F801 HydrophobicContact CB-CE2 4.44Å; C304-F801 HydrophobicContact CB-CG 4.29Å; C304-F801 PolarHBondContact N-O 3.18Å; C304-F801 WeakPolarHBondContact O-CA 3.25Å; C304-F801 WeakPolarHBondContact O-CD2 3.38Å; C304-F801 WeakPolarHBondContact O-CG 3.01Å; C304-F801 PolarHBondContact O-N 3.3Å; C304-F806 HydrophobicContact CB-CD2 4.46Å; C304-H912 PolarHBondContact SG-CE1 3.46Å; C304-H912 PolarHBondContact SG-NE2 3.47Å; C304-H912 VanDerWaalsContact SG-NE2 3.35Å | ||
| 305 | I | 87.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -98.9 | 97.1 | -156.6 | -131 | -163.8 | 0 | 0 | 0 | 116.8 | H221 I284 L285 Y286 W800 F801 N802 | H221-I305 HydrophobicContact CB-CD1 4.48Å; I284-I305 WeakPolarHBondContact CA-O 3.5Å; I284-I305 HydrophobicContact CG2-CG2 4.27Å; I284-I305 WeakPolarHBondContact CG2-O 3.48Å; L285-I305 HydrophobicContact CB-CD1 4.22Å; L285-I305 HydrophobicContact CB-CG2 3.59Å; L285-I305 HydrophobicContact CG-CG2 4.41Å; Y286-I305 WeakPolarHBondContact O-CB 3.37Å; Y286-I305 WeakPolarHBondContact O-CG2 3.29Å; Y286-I305 PolarHBondContact O-N 3.31Å; I305-W800 HydrophobicContact CB-CD2 4.41Å; I305-W800 HydrophobicContact CB-CE3 4.33Å; I305-W800 HydrophobicContact CB-CG 4.38Å; I305-W800 HydrophobicContact CD1-CB 4.28Å; I305-W800 HydrophobicContact CD1-CD2 3.68Å; I305-W800 HydrophobicContact CD1-CE3 4.36Å; I305-W800 HydrophobicContact CD1-CG 3.37Å; I305-W800 VanDerWaalsContact CG1-CA 3.48Å; I305-W800 HydrophobicContact CG1-CB 3.71Å; I305-W800 VanDerWaalsContact CG1-CD1 3.48Å; I305-W800 HydrophobicContact CG1-CD2 3.65Å; I305-W800 HydrophobicContact CG1-CE3 4.05Å; I305-W800 HydrophobicContact CG1-CG 3.24Å; I305-W800 WeakPolarHBondContact CG1-O 3.2Å; I305-W800 HydrophobicContact CG2-CD2 4.21Å; I305-W800 HydrophobicContact CG2-CE3 3.91Å; I305-F801 VanDerWaalsContact CA-N 3.34Å; I305-F801 VanDerWaalsContact CA-O 3.22Å; I305-F801 WeakPolarHBondContact CA-O 3.41Å; I305-F801 VanDerWaalsContact CB-C 3.46Å; I305-F801 WeakPolarHBondContact CB-O 3.47Å; I305-F801 PolarHBondContact N-O 2.77Å; I305-N802 HydrophobicContact CD1-CB 4.28Å; I305-N802 WeakPolarHBondContact CD1-OD1 3.1Å |
| 306 | M | 84.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.4 | 171.7 | 49.6 | 175.5 | 167.3 | 0 | 0 | 118.8 | I282 I284 C304 I314 C370 P384 V386 L798 Y799 W800 | I282-M306 HydrophobicContact CG2-CB 4.05Å; I284-M306 HydrophobicContact CB-CE 4.37Å; I284-M306 HydrophobicContact CB-SD 4.15Å; I284-M306 HydrophobicContact CG1-CE 3.58Å; I284-M306 HydrophobicContact CG1-CG 4.49Å; I284-M306 HydrophobicContact CG1-SD 3.42Å; I284-M306 WeakPolarHBondContact CG1-SD 3.42Å; I284-M306 HydrophobicContact CG2-CE 3.92Å; I284-M306 HydrophobicContact CG2-CG 4.22Å; I284-M306 HydrophobicContact CG2-SD 4.12Å; C304-M306 PolarHBondContact O-N 3.31Å; M306-I314 HydrophobicContact CG-CD1 4.16Å; M306-C370 WeakPolarHBondContact CE-O 3.37Å; M306-P384 VanDerWaalsContact CE-C 3.45Å; M306-P384 HydrophobicContact CE-CB 4.16Å; M306-P384 VanDerWaalsContact CE-O 3.24Å; M306-P384 WeakPolarHBondContact CE-O 3.42Å; M306-P384 HydrophobicContact SD-CB 3.56Å; M306-P384 VanDerWaalsContact SD-CB 3.56Å; M306-P384 HydrophobicContact SD-CG 3.53Å; M306-P384 VanDerWaalsContact SD-CG 3.53Å; M306-V386 HydrophobicContact CE-CG2 4.5Å; M306-L798 VanDerWaalsContact CA-CB 3.42Å; M306-L798 HydrophobicContact CB-CB 3.89Å; M306-L798 HydrophobicContact CB-CD2 3.82Å; M306-L798 HydrophobicContact CB-CG 4.49Å; M306-L798 HydrophobicContact CG-CB 4.37Å; M306-L798 HydrophobicContact CG-CD2 3.5Å; M306-L798 VanDerWaalsContact CG-CD2 3.5Å; M306-L798 CarbonylContact O-C 2.84Å; M306-L798 WeakPolarHBondContact O-CA 3.17Å; M306-L798 WeakPolarHBondContact O-CB 3.5Å; M306-L798 PolarHBondContact O-N 2.8Å; M306-L798 HydrophobicContact SD-CD2 3.95Å; M306-Y799 PolarHBondContact N-O 3.49Å; M306-Y799 CarbonylContact O-C 3.47Å; M306-Y799 PolarHBondContact O-N 2.83Å; M306-W800 HydrophobicContact CB-CE3 4.25Å; M306-W800 HydrophobicContact CB-CZ3 4.39Å; M306-W800 WeakPolarHBondContact O-CA 3.26Å; M306-W800 PolarHBondContact O-N 2.85Å; M306-W800 VanDerWaalsContact O-N 3.14Å |
| 307 | Y | 76.7 | Confident | 81.1 | Confident | 16 Ų | 16 | 23.1 Ų | 23.1 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 170.6 | 172.8 | 170.2 | -93.7 | 0 | 0 | 0 | 112.2 | T175 N224 L311 N796 N797 W800 | T175-Y307 WeakPolarHBondContact OG1-CD1 3.42Å; T175-Y307 WeakPolarHBondContact OG1-CE1 3.38Å; N224-Y307 WeakPolarHBondContact CA-OH 3.5Å; N224-Y307 HydrophobicContact CB-CE2 3.66Å; N224-Y307 WeakPolarHBondContact CB-OH 3.33Å; N224-Y307 VanDerWaalsContact CG-OH 3.3Å; N224-Y307 PolarHBondContact N-OH 2.94Å; N224-Y307 PolarHBondContact OD1-OH 3.29Å; N224-Y307 VanDerWaalsContact OD1-OH 3.04Å; Y307-L311 HydrophobicContact CD2-CD1 4.5Å; Y307-L311 HydrophobicContact CE2-CD1 4.32Å; Y307-N796 CarbonylContact C-O 3.5Å; Y307-N797 HydrophobicContact CD2-CB 3.88Å; Y307-N797 HydrophobicContact CE2-CB 4.31Å; Y307-N797 HydrophobicContact CG-CB 4.48Å; Y307-W800 VanDerWaalsContact CA-CZ3 3.48Å; Y307-W800 AromaticContact CD1-CH2 3.72Å; Y307-W800 HydrophobicContact CD1-CH2 3.72Å; Y307-W800 AromaticContact CD1-CZ2 3.7Å; Y307-W800 HydrophobicContact CD1-CZ2 3.7Å; Y307-W800 HydrophobicContact CD1-CZ3 4.4Å; Y307-W800 HydrophobicContact CG-CD2 4.48Å; Y307-W800 HydrophobicContact CG-CH2 4.17Å; Y307-W800 HydrophobicContact CG-CZ2 4.24Å; Y307-W800 HydrophobicContact CG-CZ3 4.42Å |
| 308 | G | 73.3 | Confident | 81.1 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | trans | 166.3 | -120.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109 | N796 N797 | G308-N796 WeakPolarHBondContact CA-O 3.42Å; G308-N796 PolarHBondContact N-O 2.93Å; G308-N797 VanDerWaalsContact N-CB 3.31Å | ||
| 309 | Y | 65.3 | Low | 80.3 | Confident | 90 Ų | 90 | 18.4 Ų | 18.4 | 35% | 0.353 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -149 | 134.9 | 174.6 | -174.4 | -95.2 | 0 | 0 | 0 | 114.3 | N796 | Y309-N796 WeakPolarHBondContact O-CB 3.09Å; Y309-N796 PolarHBondContact O-ND2 3.17Å |
| 310 | P | 65.3 | Low | 78.6 | Confident | 44 Ų | 44 | 18.9 Ų | 18.9 | 29% | 0.286 | 10% | 0.095 | S | C | . | . | S | Bend | cis | -84.2 | -109.4 | 9.2 | 33.9 | -40.6 | 0 | 0 | 0 | 117.1 | N374 N797 | P310-N374 WeakPolarHBondContact CD-ND2 3.36Å; P310-N797 VanDerWaalsContact O-CB 3.25Å; P310-N797 WeakPolarHBondContact O-CB 3.41Å; P310-N797 PolarHBondContact O-OD1 2.7Å |
| 311 | L | 72.8 | Confident | 76.7 | Confident | 49 Ų | 49 | 21.5 Ų | 21.5 | 26% | 0.257 | 11% | 0.109 | S | C | . | . | trans | -140.9 | 35.1 | -169.4 | -155.1 | 52.7 | 0 | 0 | 0 | 119.4 | Y307 N797 Y799 | Y307-L311 HydrophobicContact CD2-CD1 4.5Å; Y307-L311 HydrophobicContact CE2-CD1 4.32Å; L311-N797 VanDerWaalsContact CA-CG 3.45Å; L311-N797 VanDerWaalsContact CA-ND2 3.3Å; L311-N797 WeakPolarHBondContact CA-ND2 3.36Å; L311-N797 WeakPolarHBondContact CA-OD1 3.38Å; L311-N797 PolarHBondContact N-OD1 3.16Å; L311-Y799 WeakPolarHBondContact CD1-OH 3.45Å; L311-Y799 WeakPolarHBondContact CG-OH 3.27Å; L311-Y799 PolarHBondContact O-OH 3.25Å | ||
| 312 | P | 73.7 | Confident | 74.1 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 14% | 0.143 | 14% | 0.143 | C | C | . | . | trans | -92 | -143.6 | 161.6 | -7.3 | 26.5 | 0 | 0 | 0 | 115.5 | N374 L375 N797 L798 Y799 | P312-N374 HydrophobicContact CG-CB 4.23Å; P312-L375 HydrophobicContact CB-CD1 3.96Å; P312-L375 HydrophobicContact CB-CG 3.82Å; P312-L375 HydrophobicContact CG-CB 4.15Å; P312-L375 HydrophobicContact CG-CD1 3.76Å; P312-L375 HydrophobicContact CG-CG 3.71Å; P312-N797 WeakPolarHBondContact CD-OD1 3.22Å; P312-N797 PolarHBondContact O-ND2 2.77Å; P312-L798 CarbonylContact O-C 3.23Å; P312-Y799 WeakPolarHBondContact O-CE2 3.19Å; P312-Y799 VanDerWaalsContact O-CZ 3.3Å; P312-Y799 PolarHBondContact O-OH 3.2Å | ||
| 313 | K | 75.7 | Confident | 71.3 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | -116.3 | 157.9 | -123.1 | 146.8 | -163.5 | 165.9 | 55.9 | 0 | 115.5 | H315 I373 L798 I917 P919 | K313-H315 WeakPolarHBondContact CE-ND1 3.38Å; K313-H315 PolarHBondContact NZ-ND1 2.92Å; K313-H315 VanDerWaalsContact NZ-ND1 3.11Å; K313-I373 WeakPolarHBondContact CA-O 2.98Å; K313-I373 WeakPolarHBondContact CB-O 3.39Å; K313-I373 HydrophobicContact CD-CB 4.17Å; K313-I373 HydrophobicContact CD-CG2 4.4Å; K313-I373 HydrophobicContact CG-CB 4.3Å; K313-I373 PolarHBondContact N-O 2.91Å; K313-I373 CarbonylContact O-C 3.59Å; K313-I373 PolarHBondContact O-N 3.46Å; K313-I373 VanDerWaalsContact O-O 3.09Å; K313-L798 WeakPolarHBondContact O-CD1 3.28Å; K313-L798 WeakPolarHBondContact O-CG 3.34Å; K313-I917 PolarHBondContact NZ-O 2.02Å; K313-P919 HydrophobicContact CB-CB 3.8Å; K313-P919 HydrophobicContact CB-CG 3.95Å; K313-P919 HydrophobicContact CD-CG 3.92Å; K313-P919 HydrophobicContact CG-CB 4.08Å; K313-P919 HydrophobicContact CG-CG 3.98Å | |
| 314 | I | 81.9 | Confident | 68.4 | Low | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 156.2 | 159.6 | -52.4 | -134.3 | 0 | 0 | 0 | 111.4 | M306 C370 S371 L798 Y799 F801 I917 | M306-I314 HydrophobicContact CG-CD1 4.16Å; I314-C370 WeakPolarHBondContact CD1-SG 3.34Å; I314-C370 HydrophobicContact CG2-CB 4Å; I314-C370 WeakPolarHBondContact CG2-SG 3.32Å; I314-S371 WeakPolarHBondContact CG2-O 3.37Å; I314-L798 HydrophobicContact CD1-CB 3.66Å; I314-L798 HydrophobicContact CD1-CD2 3.85Å; I314-L798 HydrophobicContact CD1-CG 3.95Å; I314-L798 HydrophobicContact CG1-CB 3.62Å; I314-L798 HydrophobicContact CG1-CD2 4.19Å; I314-L798 HydrophobicContact CG1-CG 3.79Å; I314-Y799 WeakPolarHBondContact CD1-O 3.43Å; I314-Y799 VanDerWaalsContact CG1-O 3.26Å; I314-Y799 WeakPolarHBondContact CG1-O 3.38Å; I314-F801 HydrophobicContact CB-CE2 3.86Å; I314-F801 HydrophobicContact CD1-CD2 3.95Å; I314-F801 HydrophobicContact CD1-CE2 3.72Å; I314-F801 HydrophobicContact CG1-CD2 4.32Å; I314-F801 HydrophobicContact CG1-CE2 3.8Å; I314-F801 HydrophobicContact CG2-CE2 3.88Å; I314-F801 HydrophobicContact CG2-CZ 4.47Å; I314-I917 HydrophobicContact CB-CD1 3.51Å; I314-I917 HydrophobicContact CG2-CD1 3.09Å; I314-I917 WeakPolarHBondContact O-CB 3.27Å; I314-I917 VanDerWaalsContact O-CG2 3.23Å; I314-I917 WeakPolarHBondContact O-CG2 3.14Å |
| 315 | H | 79.4 | Confident | 65.6 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127 | 171.1 | -142 | 133.2 | 0 | 0 | 0 | 112.9 | K313 S371 I373 Y727 F918 | K313-H315 WeakPolarHBondContact CE-ND1 3.38Å; K313-H315 PolarHBondContact NZ-ND1 2.92Å; K313-H315 VanDerWaalsContact NZ-ND1 3.11Å; H315-S371 CarbonylContact C-O 3.54Å; H315-S371 PolarHBondContact N-O 2.84Å; H315-S371 CarbonylContact O-C 3.27Å; H315-S371 PolarHBondContact O-N 2.86Å; H315-S371 PolarHBondContact O-OG 3.18Å; H315-I373 HydrophobicContact CB-CD1 3.63Å; H315-I373 HydrophobicContact CB-CG1 3.99Å; H315-I373 VanDerWaalsContact ND1-CD1 3.35Å; H315-I373 WeakPolarHBondContact ND1-CD1 3.33Å; H315-Y727 HydrophobicContact CB-CD1 4.41Å; H315-Y727 HydrophobicContact CB-CD2 4.11Å; H315-Y727 HydrophobicContact CB-CE1 4.1Å; H315-Y727 HydrophobicContact CB-CE2 3.73Å; H315-Y727 HydrophobicContact CB-CG 4.41Å; H315-Y727 AromaticContact CD2-CD1 3.29Å; H315-Y727 WeakPolarHBondContact CD2-CD1 3.27Å; H315-Y727 AromaticContact CD2-CE1 3.1Å; H315-Y727 WeakPolarHBondContact CD2-CE1 3.4Å; H315-Y727 AromaticContact CD2-CG 4Å; H315-Y727 AromaticContact CD2-CZ 3.61Å; H315-Y727 VanDerWaalsContact CE1-CA 3.47Å; H315-Y727 WeakPolarHBondContact CE1-CA 3.47Å; H315-Y727 AromaticContact CE1-CD1 3.51Å; H315-Y727 AromaticContact CE1-CG 3.8Å; H315-Y727 AromaticContact CG-CD1 3.5Å; H315-Y727 VanDerWaalsContact CG-CD1 3.5Å; H315-Y727 AromaticContact CG-CD2 3.91Å; H315-Y727 AromaticContact CG-CE1 3.48Å; H315-Y727 VanDerWaalsContact CG-CE1 3.48Å; H315-Y727 AromaticContact CG-CE2 3.85Å; H315-Y727 AromaticContact CG-CG 3.71Å; H315-Y727 AromaticContact CG-CZ 3.61Å; H315-Y727 AromaticContact ND1-CD1 3.6Å; H315-Y727 AromaticContact ND1-CG 3.54Å; H315-Y727 AromaticContact NE2-CD1 3.32Å; H315-Y727 VanDerWaalsContact NE2-CD1 3.32Å; H315-Y727 WeakPolarHBondContact NE2-CD1 3.4Å; H315-Y727 AromaticContact NE2-CE1 3.59Å; H315-Y727 PolarHBondContact O-OH 3.47Å; H315-Y727 VanDerWaalsContact O-OH 3.04Å; H315-F918 AromaticContact CE1-CE1 3.53Å; H315-F918 AromaticContact CE1-CZ 3.28Å; H315-F918 WeakPolarHBondContact CE1-CZ 3.1Å; H315-F918 AromaticContact NE2-CE1 3.86Å; H315-F918 AromaticContact NE2-CE2 3.87Å; H315-F918 AromaticContact NE2-CZ 3.11Å; H315-F918 WeakPolarHBondContact NE2-CZ 3.45Å |
| 316 | W | 84.6 | Confident | 62.9 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -101 | 172.7 | 170.8 | -51.3 | 120.6 | 0 | 0 | 0 | 114.1 | I302 C304 Y368 R369 C370 F388 Y727 F801 F806 I885 L915 C916 I917 | I302-W316 HydrophobicContact CD1-CE3 4.37Å; I302-W316 HydrophobicContact CD1-CH2 3.23Å; I302-W316 HydrophobicContact CD1-CZ2 3.17Å; I302-W316 HydrophobicContact CD1-CZ3 3.84Å; I302-W316 HydrophobicContact CG1-CH2 3.95Å; I302-W316 HydrophobicContact CG1-CZ2 4.01Å; C304-W316 HydrophobicContact CB-CH2 3.14Å; C304-W316 HydrophobicContact CB-CZ2 3.86Å; C304-W316 HydrophobicContact CB-CZ3 3.86Å; W316-Y368 VanDerWaalsContact CE3-C 3.41Å; W316-Y368 VanDerWaalsContact CZ3-O 3.24Å; W316-Y368 WeakPolarHBondContact CZ3-O 3.48Å; W316-R369 WeakPolarHBondContact CA-O 3.44Å; W316-R369 HydrophobicContact CB-CB 4.21Å; W316-R369 WeakPolarHBondContact CB-O 3.27Å; W316-C370 HydrophobicContact CD2-CB 3.83Å; W316-C370 HydrophobicContact CE3-CB 3.48Å; W316-C370 VanDerWaalsContact CE3-CB 3.48Å; W316-C370 HydrophobicContact CH2-CB 3.62Å; W316-C370 HydrophobicContact CZ2-CB 4.16Å; W316-C370 HydrophobicContact CZ3-CB 3.27Å; W316-F388 HydrophobicContact CH2-CE2 4.4Å; W316-F388 HydrophobicContact CZ3-CD2 4.07Å; W316-F388 HydrophobicContact CZ3-CE2 4.18Å; W316-Y727 WeakPolarHBondContact O-CE1 3.13Å; W316-Y727 PolarHBondContact O-OH 2.98Å; W316-F801 AromaticContact CE2-CE1 3.65Å; W316-F801 AromaticContact CE2-CZ 3.48Å; W316-F801 VanDerWaalsContact CE2-CZ 3.48Å; W316-F801 HydrophobicContact CH2-CE1 4.22Å; W316-F801 HydrophobicContact CH2-CZ 4.37Å; W316-F801 AromaticContact CZ2-CD1 3.79Å; W316-F801 HydrophobicContact CZ2-CD1 3.79Å; W316-F801 AromaticContact CZ2-CE1 3.13Å; W316-F801 HydrophobicContact CZ2-CE1 3.13Å; W316-F801 HydrophobicContact CZ2-CE2 4.13Å; W316-F801 AromaticContact CZ2-CZ 3.3Å; W316-F801 HydrophobicContact CZ2-CZ 3.3Å; W316-F801 AromaticContact NE1-CE1 3.71Å; W316-F801 AromaticContact NE1-CZ 3.5Å; W316-F806 AromaticContact CH2-CD2 3.66Å; W316-F806 HydrophobicContact CH2-CD2 3.66Å; W316-F806 AromaticContact CH2-CE2 3.59Å; W316-F806 HydrophobicContact CH2-CE2 3.59Å; W316-F806 HydrophobicContact CZ3-CD2 4.05Å; W316-F806 AromaticContact CZ3-CE2 3.56Å; W316-F806 HydrophobicContact CZ3-CE2 3.56Å; W316-I885 HydrophobicContact CZ2-CD1 4.11Å; W316-L915 CarbonylContact C-O 3.52Å; W316-L915 HydrophobicContact CB-CB 3.3Å; W316-L915 HydrophobicContact CD2-CB 3.83Å; W316-L915 HydrophobicContact CD2-CD1 3.6Å; W316-L915 HydrophobicContact CD2-CG 4.41Å; W316-L915 HydrophobicContact CE3-CB 3.87Å; W316-L915 HydrophobicContact CE3-CD1 3.66Å; W316-L915 HydrophobicContact CE3-CG 4.33Å; W316-L915 HydrophobicContact CG-CB 3.49Å; W316-L915 VanDerWaalsContact CG-CB 3.49Å; W316-L915 HydrophobicContact CG-CD1 3.85Å; W316-L915 HydrophobicContact CG-CG 4.38Å; W316-L915 HydrophobicContact CZ3-CD1 4.38Å; W316-C916 WeakPolarHBondContact O-CA 3.27Å; W316-C916 PolarHBondContact O-SG 3.16Å; W316-I917 HydrophobicContact CB-CD1 3.97Å; W316-I917 HydrophobicContact CB-CG1 3.79Å; W316-I917 HydrophobicContact CD2-CD1 3.85Å; W316-I917 HydrophobicContact CD2-CG1 4.17Å; W316-I917 HydrophobicContact CG-CD1 3.32Å; W316-I917 HydrophobicContact CG-CG1 3.27Å; W316-I917 VanDerWaalsContact NE1-CD1 3.28Å | ||
| 317 | E | 78.1 | Confident | 60.3 | Low | 34 Ų | 34 | 55.3 Ų | 55.3 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -157.7 | 94.3 | -178.3 | 163.8 | 160.8 | -131.6 | 0 | 0 | 123.3 | M319 R369 C725 Y727 E914 L915 | E317-M319 VanDerWaalsContact C-N 3.34Å; E317-M319 HydrophobicContact CG-CG 4.13Å; E317-M319 PolarHBondContact O-N 2.66Å; E317-R369 HydrophobicContact CB-CB 4.08Å; E317-R369 HydrophobicContact CB-CG 4.39Å; E317-R369 IonicContact OE2-CZ 4Å; E317-R369 IonicContact OE2-NE 2.71Å; E317-R369 IonicContact OE2-NH1 2.66Å; E317-R369 PolarHBondContact OE2-NH1 2.8Å; E317-C725 VanDerWaalsContact CA-SG 3.55Å; E317-C725 HydrophobicContact CB-CB 3.48Å; E317-C725 VanDerWaalsContact CB-CB 3.48Å; E317-C725 HydrophobicContact CG-CB 3.65Å; E317-Y727 HydrophobicContact CB-CE1 3.85Å; E317-Y727 WeakPolarHBondContact CB-OH 3.33Å; E317-E914 CarbonylContact C-O 3.45Å; E317-E914 VanDerWaalsContact C-O 3.24Å; E317-E914 CarbonylContact O-C 2.91Å; E317-E914 WeakPolarHBondContact O-CA 3.46Å; E317-E914 VanDerWaalsContact O-O 3.04Å; E317-L915 CarbonylContact C-O 3.57Å; E317-L915 VanDerWaalsContact CA-N 3.34Å; E317-L915 WeakPolarHBondContact CA-O 3.3Å; E317-L915 PolarHBondContact N-O 3.16Å; E317-L915 PolarHBondContact O-N 3.45Å |
| 318 | F | 80.8 | Confident | 58.2 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -59.8 | 91 | 178.9 | -171.6 | -51.7 | 0 | 0 | 0 | 107.3 | M320 L340 H365 L723 L724 H887 I904 I905 P906 K907 E914 L915 | F318-M320 HydrophobicContact CD1-CE 4.07Å; F318-M320 HydrophobicContact CE1-CE 3.19Å; F318-M320 HydrophobicContact CZ-CE 4.01Å; F318-L340 HydrophobicContact CB-CD2 3.78Å; F318-L340 HydrophobicContact CB-CG 4.41Å; F318-H365 WeakPolarHBondContact CD2-O 3.08Å; F318-H365 WeakPolarHBondContact CE2-O 3.48Å; F318-L723 HydrophobicContact CB-CB 4.2Å; F318-L723 HydrophobicContact CB-CD2 3.52Å; F318-L723 HydrophobicContact CB-CG 4.42Å; F318-L723 HydrophobicContact CD1-CB 3.29Å; F318-L723 HydrophobicContact CD1-CD2 4.31Å; F318-L723 HydrophobicContact CD1-CG 4.3Å; F318-L723 HydrophobicContact CE1-CB 4.07Å; F318-L723 HydrophobicContact CG-CB 4.03Å; F318-L723 HydrophobicContact CG-CD2 4.09Å; F318-L723 CarbonylContact O-C 3.58Å; F318-L723 VanDerWaalsContact O-C 3.23Å; F318-L724 CarbonylContact O-C 3.44Å; F318-L724 VanDerWaalsContact O-CA 3.28Å; F318-L724 WeakPolarHBondContact O-CA 3.35Å; F318-L724 PolarHBondContact O-N 3.27Å; F318-H887 HydrophobicContact CD2-CB 4.08Å; F318-I904 HydrophobicContact CE2-CG2 4.01Å; F318-I905 HydrophobicContact CE1-CB 3.93Å; F318-I905 HydrophobicContact CE1-CG1 3.82Å; F318-I905 HydrophobicContact CE1-CG2 3.92Å; F318-I905 HydrophobicContact CE2-CB 4.11Å; F318-I905 HydrophobicContact CE2-CG1 4.27Å; F318-I905 HydrophobicContact CZ-CB 3.49Å; F318-I905 VanDerWaalsContact CZ-CB 3.49Å; F318-I905 HydrophobicContact CZ-CG1 3.3Å; F318-I905 HydrophobicContact CZ-CG2 4.04Å; F318-P906 VanDerWaalsContact CB-CA 3.42Å; F318-P906 HydrophobicContact CB-CB 2.89Å; F318-P906 HydrophobicContact CB-CG 2.78Å; F318-P906 HydrophobicContact CD1-CB 3.58Å; F318-P906 VanDerWaalsContact CD1-CD 3.46Å; F318-P906 HydrophobicContact CD1-CG 3.96Å; F318-P906 HydrophobicContact CD2-CB 2.32Å; F318-P906 HydrophobicContact CD2-CG 2.35Å; F318-P906 HydrophobicContact CE1-CB 4.23Å; F318-P906 WeakPolarHBondContact CE1-O 3.21Å; F318-P906 HydrophobicContact CE2-CB 3.55Å; F318-P906 HydrophobicContact CE2-CG 3.92Å; F318-P906 WeakPolarHBondContact CE2-O 3.3Å; F318-P906 HydrophobicContact CG-CB 2.34Å; F318-P906 HydrophobicContact CG-CG 2.4Å; F318-P906 HydrophobicContact CZ-CB 4.23Å; F318-P906 WeakPolarHBondContact CZ-O 3.47Å; F318-K907 HydrophobicContact CE2-CG 4.45Å; F318-K907 HydrophobicContact CZ-CG 4.14Å; F318-E914 WeakPolarHBondContact CA-O 3.35Å; F318-E914 PolarHBondContact N-O 2.8Å; F318-E914 VanDerWaalsContact N-O 3.16Å; F318-L915 PolarHBondContact N-O 2.83Å | ||
| 319 | M | 67.5 | Low | 56.2 | Low | 69 Ų | 69 | 67 Ų | 67 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | trans | -67.4 | 132.6 | 158.7 | -50.7 | -158.4 | -66.2 | 0 | 0 | 106.4 | E317 D321 P906 N913 E914 | E317-M319 VanDerWaalsContact C-N 3.34Å; E317-M319 HydrophobicContact CG-CG 4.13Å; E317-M319 PolarHBondContact O-N 2.66Å; M319-D321 PolarHBondContact O-N 2.79Å; M319-P906 WeakPolarHBondContact O-CA 3.1Å; M319-P906 VanDerWaalsContact O-O 3.13Å; M319-N913 HydrophobicContact CE-CB 3.99Å; M319-N913 WeakPolarHBondContact CE-O 2.88Å; M319-N913 WeakPolarHBondContact CG-O 3.24Å; M319-E914 HydrophobicContact CB-CG 3.52Å; M319-E914 HydrophobicContact CE-CG 3.63Å; M319-E914 WeakPolarHBondContact CE-OE1 3.31Å; M319-E914 HydrophobicContact CG-CG 3.7Å; M319-E914 HydrophobicContact SD-CG 4.49Å | ||
| 320 | M | 51.1 | Low | 54.7 | Low | 45 Ų | 45 | 67 Ų | 67 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | trans | -47.6 | 104.5 | 153.4 | -69.1 | -88.2 | 82.1 | 0 | 0 | 110.3 | F318 S322 K722 L723 I905 | F318-M320 HydrophobicContact CD1-CE 4.07Å; F318-M320 HydrophobicContact CE1-CE 3.19Å; F318-M320 HydrophobicContact CZ-CE 4.01Å; M320-S322 PolarHBondContact O-N 3.1Å; M320-K722 HydrophobicContact CE-CB 4.31Å; M320-K722 WeakPolarHBondContact SD-CA 3.31Å; M320-K722 HydrophobicContact SD-CB 3.48Å; M320-K722 WeakPolarHBondContact SD-CB 3.16Å; M320-K722 HydrophobicContact SD-CD 3.96Å; M320-K722 HydrophobicContact SD-CG 3.53Å; M320-K722 VanDerWaalsContact SD-CG 3.53Å; M320-L723 HydrophobicContact CE-CB 4.2Å; M320-L723 WeakPolarHBondContact CG-O 3.36Å; M320-L723 PolarHBondContact SD-N 3.07Å; M320-I905 HydrophobicContact CE-CB 3.8Å; M320-I905 HydrophobicContact CE-CD1 3.47Å; M320-I905 VanDerWaalsContact CE-CD1 3.47Å; M320-I905 HydrophobicContact CE-CG1 3.23Å; M320-I905 HydrophobicContact CE-CG2 3.37Å; M320-I905 HydrophobicContact SD-CD1 4.19Å | ||
| 321 | D | 51.1 | Low | 53.1 | Low | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -61.9 | 118.6 | 146.9 | 176.5 | -8 | 0 | 0 | 0 | 107 | M319 T323 P906 K907 | M319-D321 PolarHBondContact O-N 2.79Å; D321-T323 VanDerWaalsContact C-N 3.25Å; D321-T323 PolarHBondContact O-N 2.91Å; D321-P906 PolarHBondContact N-O 3.48Å; D321-K907 HydrophobicContact CB-CB 3.45Å; D321-K907 VanDerWaalsContact CB-CB 3.45Å; D321-K907 HydrophobicContact CB-CD 4.04Å; D321-K907 HydrophobicContact CB-CG 3.72Å; D321-K907 WeakPolarHBondContact O-CE 3.01Å; D321-K907 IonicContact OD1-NZ 3.61Å; D321-K907 PolarHBondContact OD1-NZ 2.92Å; D321-K907 WeakPolarHBondContact OD2-CB 3.23Å; D321-K907 WeakPolarHBondContact OD2-CD 3.23Å; D321-K907 VanDerWaalsContact OD2-CE 3.23Å; D321-K907 WeakPolarHBondContact OD2-CE 3.29Å; D321-K907 IonicContact OD2-NZ 2.68Å; D321-K907 PolarHBondContact OD2-NZ 3.18Å | ||
| 322 | S | 34.6 | Very low | 51.3 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 76% | 0.755 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -89.8 | 36.3 | -140.5 | 49.2 | 0 | 0 | 0 | 0 | 114 | M320 | M320-S322 PolarHBondContact O-N 3.1Š|
| 323 | T | 32.4 | Very low | 49.2 | Very low | 92 Ų | 92 | 71 Ų | 71 | 56% | 0.564 | 37% | 0.37 | S | S | * | . | trans | -120.1 | 46 | -166.1 | 76.4 | 0 | 0 | 0 | 0 | 114.6 | D321 K907 | D321-T323 VanDerWaalsContact C-N 3.25Å; D321-T323 PolarHBondContact O-N 2.91Å; T323-K907 WeakPolarHBondContact OG1-CE 2.93Å; T323-K907 PolarHBondContact OG1-NZ 2.77Å | ||
| 324 | M | 29.4 | Very low | 46.9 | Very low | 111 Ų | 111 | 74.2 Ų | 74.2 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -144.6 | 136.5 | 163 | -92.4 | -63.6 | -173.8 | 0 | 0 | 111.6 | K722 | M324-K722 WeakPolarHBondContact O-CE 3.18Å; M324-K722 PolarHBondContact O-NZ 3.31Å |
| 325 | N | 31.7 | Very low | 44.2 | Very low | 86 Ų | 86 | 75.2 Ų | 75.2 | 46% | 0.46 | 39% | 0.387 | S | S | . | . | trans | 57.7 | 100.3 | 177.8 | -66.9 | 4.7 | 0 | 0 | 0 | 117.3 | K722 | N325-K722 PolarHBondContact O-NZ 3.29Š| ||
| 326 | T | 29.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 75.2 Ų | 75.2 | 88% | 0.877 | 39% | 0.388 | S | S | * | . | trans | -93.2 | 87.5 | 158.1 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 327 | E | 31.2 | Very low | 39.3 | Very low | 182 Ų | 182 | 76.9 Ų | 76.9 | 85% | 0.85 | 40% | 0.397 | S | S | * | . | trans | -165.7 | 159.7 | 153.1 | -113.3 | 167.1 | -151 | 0 | 0 | 109.1 | ||||
| 328 | M | 32.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 75.4 Ų | 75.4 | 56% | 0.562 | 39% | 0.39 | S | S | * | . | trans | 70.9 | 134.8 | -176.1 | -67 | -177.3 | 156 | 0 | 0 | 120 | F870 | M328-F870 HydrophobicContact CB-CE1 4.28Å; M328-F870 HydrophobicContact SD-CD1 3.67Å; M328-F870 HydrophobicContact SD-CE1 4.02Å | ||
| 329 | K | 30.4 | Very low | 36.2 | Very low | 154 Ų | 154 | 75.4 Ų | 75.4 | 67% | 0.67 | 39% | 0.39 | S | S | * | . | trans | -157.9 | -168.1 | 164.4 | -45.7 | -176.5 | 174.6 | -168.8 | 0 | 107.2 | ||||
| 330 | D | 34.3 | Very low | 35.9 | Very low | 91 Ų | 91 | 72.1 Ų | 72.1 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | cis | -145.7 | 150 | -8 | -99.1 | -47.5 | 0 | 0 | 0 | 102.6 | ||||
| 331 | D | 32.5 | Very low | 36.1 | Very low | 51 Ų | 51 | 70 Ų | 70 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | cis | -160.1 | 170.7 | -5.5 | 163.2 | 60.6 | 0 | 0 | 0 | 107.7 | N864 N867 | D331-N864 PolarHBondContact OD1-ND2 3.49Å; D331-N864 PolarHBondContact OD2-ND2 3.05Å; D331-N867 WeakPolarHBondContact O-CB 3.38Å; D331-N867 PolarHBondContact O-ND2 3.02Å | ||
| 332 | H | 33.6 | Very low | 36.7 | Very low | 72 Ų | 72 | 67.9 Ų | 67.9 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | trans | 125.2 | 155.7 | 159.6 | -41.7 | -22.7 | 0 | 0 | 0 | 117.2 | M863 N864 L865 L866 N867 | H332-M863 CarbonylContact C-O 3.23Å; H332-N864 VanDerWaalsContact C-C 3.41Å; H332-N864 CarbonylContact O-C 3.39Å; H332-N864 VanDerWaalsContact O-C 3.27Å; H332-L865 CarbonylContact O-C 3.51Å; H332-L865 PolarHBondContact O-N 2.76Å; H332-L866 CarbonylContact O-C 3.38Å; H332-L866 PolarHBondContact O-N 2.71Å; H332-N867 HydrophobicContact CB-CB 3.99Å; H332-N867 PolarHBondContact CD2-ND2 3.11Å; H332-N867 VanDerWaalsContact CD2-ND2 3.31Å; H332-N867 WeakPolarHBondContact O-CB 3.32Å; H332-N867 PolarHBondContact O-N 2.77Å | ||
| 333 | Q | 30.4 | Very low | 37.9 | Very low | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | trans | 67.2 | 82 | 166.4 | -37.6 | -157.7 | -6 | 0 | 0 | 123.7 | K335 M863 N864 L865 L866 | Q333-K335 PolarHBondContact O-N 3.32Å; Q333-M863 WeakPolarHBondContact CA-O 3.24Å; Q333-M863 HydrophobicContact CB-SD 3.8Å; Q333-M863 HydrophobicContact CG-CE 4.36Å; Q333-M863 HydrophobicContact CG-SD 3.58Å; Q333-M863 VanDerWaalsContact CG-SD 3.58Å; Q333-M863 PolarHBondContact N-O 3.45Å; Q333-N864 VanDerWaalsContact C-N 3.28Å; Q333-N864 VanDerWaalsContact N-N 3.11Å; Q333-L865 CarbonylContact O-C 3.3Å; Q333-L865 WeakPolarHBondContact O-CA 3.29Å; Q333-L865 PolarHBondContact O-N 2.72Å; Q333-L866 HydrophobicContact CB-CB 3.86Å; Q333-L866 HydrophobicContact CB-CD1 3.74Å; Q333-L866 HydrophobicContact CB-CG 4.37Å; Q333-L866 WeakPolarHBondContact O-CB 3.19Å; Q333-L866 WeakPolarHBondContact O-CG 3.31Å; Q333-L866 PolarHBondContact O-N 3.08Å | ||
| 334 | Y | 27.6 | Very low | 39.5 | Very low | 77 Ų | 77 | 58.7 Ų | 58.7 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | trans | -78.2 | 104.1 | -159.5 | -85 | -96.4 | 0 | 0 | 0 | 107.3 | S860 N861 I862 N864 L865 | Y334-S860 WeakPolarHBondContact CD2-O 3.35Å; Y334-N861 WeakPolarHBondContact CB-O 3.23Å; Y334-N861 VanDerWaalsContact CD2-C 3.43Å; Y334-N861 VanDerWaalsContact CD2-CA 3.42Å; Y334-N861 HydrophobicContact CD2-CB 4.32Å; Y334-N861 VanDerWaalsContact CE2-CA 3.47Å; Y334-N861 HydrophobicContact CE2-CB 4.01Å; Y334-I862 VanDerWaalsContact CB-C 3.41Å; Y334-I862 VanDerWaalsContact N-C 3.29Å; Y334-I862 PolarHBondContact N-O 3.15Å; Y334-I862 CarbonylContact O-C 3.57Å; Y334-I862 VanDerWaalsContact O-C 3.3Å; Y334-I862 VanDerWaalsContact O-CA 3.24Å; Y334-I862 WeakPolarHBondContact O-CA 2.74Å; Y334-I862 WeakPolarHBondContact O-CG2 3.06Å; Y334-I862 VanDerWaalsContact O-O 3.05Å; Y334-N864 VanDerWaalsContact CA-N 3.31Å; Y334-N864 HydrophobicContact CD1-CB 4.44Å; Y334-N864 HydrophobicContact CD2-CB 3.37Å; Y334-N864 WeakPolarHBondContact CD2-OD1 3.13Å; Y334-N864 HydrophobicContact CE2-CB 3.48Å; Y334-N864 VanDerWaalsContact CE2-CB 3.48Å; Y334-N864 WeakPolarHBondContact CE2-OD1 3.26Å; Y334-N864 HydrophobicContact CG-CB 3.86Å; Y334-L865 VanDerWaalsContact CA-N 3.29Å; Y334-L865 HydrophobicContact CD1-CD1 3.74Å; Y334-L865 HydrophobicContact CD1-CG 4.12Å; Y334-L865 HydrophobicContact CG-CD1 4.29Å | ||
| 335 | K | 25.7 | Very low | 41.7 | Very low | 20 Ų | 20 | 53.6 Ų | 53.6 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | trans | -154.3 | 164 | 179.9 | -102 | 153.4 | -177.6 | -164.2 | 0 | 107.3 | Q333 V337 L837 N841 L865 L866 | Q333-K335 PolarHBondContact O-N 3.32Å; K335-V337 PolarHBondContact O-N 2.78Å; K335-L837 HydrophobicContact CB-CD1 3.57Å; K335-L837 HydrophobicContact CD-CB 4.05Å; K335-L837 HydrophobicContact CD-CD1 3.83Å; K335-L837 HydrophobicContact CD-CD2 4.06Å; K335-L837 HydrophobicContact CD-CG 4.21Å; K335-L837 HydrophobicContact CG-CD1 3.57Å; K335-L837 HydrophobicContact CG-CD2 3.8Å; K335-L837 HydrophobicContact CG-CG 4.18Å; K335-L837 PolarHBondContact NZ-O 3.04Å; K335-N841 PolarHBondContact NZ-ND2 3.34Å; K335-N841 PolarHBondContact NZ-OD1 2.95Å; K335-L865 VanDerWaalsContact O-CB 3.3Å; K335-L865 WeakPolarHBondContact O-CB 3.49Å; K335-L865 WeakPolarHBondContact O-CD1 3.49Å; K335-L866 HydrophobicContact CB-CD1 4.32Å; K335-L866 HydrophobicContact CD-CD1 4.04Å | ||
| 336 | D | 25.6 | Very low | 44.1 | Very low | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | 59 | 36.1 | -178 | -42.7 | -44.2 | 0 | 0 | 0 | 112.5 | K338 Y734 M736 I833 L837 F877 | D336-K338 WeakPolarHBondContact O-CG 3.2Å; D336-K338 PolarHBondContact O-N 2.85Å; D336-K338 VanDerWaalsContact O-N 3.15Å; D336-Y734 HydrophobicContact CB-CE2 4.07Å; D336-Y734 WeakPolarHBondContact OD1-CE2 3.36Å; D336-Y734 PolarHBondContact OD1-OH 3.38Å; D336-Y734 VanDerWaalsContact OD1-OH 3.08Å; D336-M736 HydrophobicContact CB-CB 3.67Å; D336-M736 HydrophobicContact CB-CE 4.17Å; D336-M736 HydrophobicContact CB-CG 4.15Å; D336-M736 HydrophobicContact CB-SD 3.69Å; D336-I833 WeakPolarHBondContact OD1-CG2 2.84Å; D336-L837 WeakPolarHBondContact OD1-CD1 3.36Å; D336-F877 HydrophobicContact CB-CE1 3.86Å; D336-F877 VanDerWaalsContact CG-CE1 3.43Å | ||
| 337 | V | 35.2 | Very low | 46.7 | Very low | 34 Ų | 34 | 43.1 Ų | 43.1 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | trans | -32.1 | 118.9 | 137.8 | -118.8 | 0 | 0 | 0 | 0 | 107.7 | K335 L339 L724 C725 N726 | K335-V337 PolarHBondContact O-N 2.78Å; V337-L339 PolarHBondContact O-N 3.15Å; V337-L724 HydrophobicContact CG1-CB 4.2Å; V337-L724 HydrophobicContact CG1-CD2 4.05Å; V337-C725 VanDerWaalsContact CB-C 3.49Å; V337-C725 WeakPolarHBondContact CB-O 3.39Å; V337-C725 WeakPolarHBondContact CG1-O 3.11Å; V337-N726 HydrophobicContact CB-CB 3.62Å; V337-N726 HydrophobicContact CG2-CB 3.56Å; V337-N726 WeakPolarHBondContact O-CB 3.47Å | ||
| 338 | K | 42.1 | Very low | 49.2 | Very low | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | trans | -94 | 79.3 | -149.9 | -58.1 | 156.8 | 72 | -28.5 | 0 | 108.7 | D336 L340 K722 L723 L724 C725 I735 M736 L737 | D336-K338 WeakPolarHBondContact O-CG 3.2Å; D336-K338 PolarHBondContact O-N 2.85Å; D336-K338 VanDerWaalsContact O-N 3.15Å; K338-L340 PolarHBondContact O-N 2.85Å; K338-K722 VanDerWaalsContact CE-C 3.42Å; K338-K722 WeakPolarHBondContact CE-O 3.05Å; K338-K722 PolarHBondContact NZ-O 3.2Å; K338-L723 HydrophobicContact CB-CD2 4.12Å; K338-L723 HydrophobicContact CB-CG 3.76Å; K338-L723 VanDerWaalsContact NZ-CA 3.34Å; K338-L723 WeakPolarHBondContact O-CD2 3.35Å; K338-L724 CarbonylContact C-O 3.19Å; K338-L724 VanDerWaalsContact C-O 3.28Å; K338-L724 HydrophobicContact CB-CB 3.94Å; K338-L724 HydrophobicContact CD-CB 3.86Å; K338-L724 HydrophobicContact CD-CD1 3.29Å; K338-L724 HydrophobicContact CD-CG 4.14Å; K338-L724 HydrophobicContact CG-CB 3.83Å; K338-L724 HydrophobicContact CG-CD1 4.09Å; K338-L724 VanDerWaalsContact N-CB 3.33Å; K338-L724 CarbonylContact O-C 3.57Å; K338-C725 VanDerWaalsContact N-N 3.16Å; K338-C725 PolarHBondContact O-SG 2.79Å; K338-C725 VanDerWaalsContact O-SG 3.37Å; K338-I735 HydrophobicContact CB-CB 3.95Å; K338-I735 HydrophobicContact CB-CG2 3.83Å; K338-I735 WeakPolarHBondContact O-CG2 3.34Å; K338-M736 HydrophobicContact CD-CE 3.79Å; K338-M736 WeakPolarHBondContact CD-O 3.38Å; K338-M736 WeakPolarHBondContact CE-O 3.35Å; K338-M736 HydrophobicContact CG-CB 4.15Å; K338-M736 HydrophobicContact CG-CE 3.93Å; K338-M736 WeakPolarHBondContact CG-O 3.46Å; K338-M736 PolarHBondContact NZ-O 3.42Å; K338-L737 VanDerWaalsContact NZ-N 3.12Å | ||
| 339 | L | 50.4 | Low | 51.5 | Low | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -73.2 | 106 | -167.4 | -157.2 | -174.5 | 0 | 0 | 0 | 113.7 | V337 P341 C725 N726 P733 Y734 I735 I880 C916 F918 | V337-L339 PolarHBondContact O-N 3.15Å; L339-P341 WeakPolarHBondContact O-CB 3.43Å; L339-P341 VanDerWaalsContact O-CG 3.24Å; L339-P341 WeakPolarHBondContact O-CG 3.18Å; L339-C725 WeakPolarHBondContact CA-SG 3.22Å; L339-N726 HydrophobicContact CB-CB 3.88Å; L339-N726 VanDerWaalsContact CB-N 3.25Å; L339-N726 HydrophobicContact CD1-CB 3.88Å; L339-N726 WeakPolarHBondContact CD1-O 3.27Å; L339-N726 HydrophobicContact CG-CB 4.22Å; L339-P733 VanDerWaalsContact CD1-CA 3.46Å; L339-P733 HydrophobicContact CD1-CB 3.37Å; L339-P733 HydrophobicContact CD2-CB 3.79Å; L339-P733 HydrophobicContact CG-CB 4.27Å; L339-Y734 VanDerWaalsContact CA-O 3.23Å; L339-Y734 WeakPolarHBondContact CA-O 3.02Å; L339-Y734 VanDerWaalsContact CB-C 3.5Å; L339-Y734 WeakPolarHBondContact CB-O 3.3Å; L339-Y734 PolarHBondContact N-O 3.08Å; L339-Y734 CarbonylContact O-C 3.57Å; L339-Y734 WeakPolarHBondContact O-CA 3.33Å; L339-I735 PolarHBondContact O-N 2.84Å; L339-I880 HydrophobicContact CD2-CD1 3.93Å; L339-I880 HydrophobicContact CD2-CG2 3.53Å; L339-C916 HydrophobicContact CD2-CB 4.06Å; L339-C916 WeakPolarHBondContact CD2-SG 3.38Å; L339-C916 VanDerWaalsContact CG-SG 3.59Å; L339-F918 HydrophobicContact CD1-CE1 4.38Å; L339-F918 HydrophobicContact CD1-CE2 4.27Å; L339-F918 HydrophobicContact CD1-CZ 3.63Å; L339-F918 HydrophobicContact CD2-CD2 4.45Å; L339-F918 HydrophobicContact CD2-CE2 3.37Å; L339-F918 HydrophobicContact CD2-CZ 3.56Å; L339-F918 HydrophobicContact CG-CE2 4.27Å; L339-F918 HydrophobicContact CG-CZ 3.97Å | ||
| 340 | L | 61.9 | Low | 53.8 | Low | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -43.2 | 128.3 | -163.1 | -73.6 | -174.6 | 0 | 0 | 0 | 118.3 | F318 K338 L723 C725 I880 I885 Y886 F888 P906 L915 C916 | F318-L340 HydrophobicContact CB-CD2 3.78Å; F318-L340 HydrophobicContact CB-CG 4.41Å; K338-L340 PolarHBondContact O-N 2.85Å; L340-L723 HydrophobicContact CD2-CD2 3.36Å; L340-L723 HydrophobicContact CG-CD2 4.28Å; L340-C725 PolarHBondContact N-SG 2.76Å; L340-C725 VanDerWaalsContact N-SG 3.36Å; L340-I880 WeakPolarHBondContact O-CB 3.11Å; L340-I880 WeakPolarHBondContact O-CD1 3.13Å; L340-I880 WeakPolarHBondContact O-CG2 3.32Å; L340-I885 HydrophobicContact CD1-CG2 4.03Å; L340-Y886 HydrophobicContact CB-CD2 3.42Å; L340-Y886 VanDerWaalsContact CB-CD2 3.42Å; L340-Y886 HydrophobicContact CB-CE2 4.39Å; L340-Y886 HydrophobicContact CB-CG 3.69Å; L340-Y886 HydrophobicContact CD1-CD2 4.34Å; L340-Y886 WeakPolarHBondContact CD1-O 3.46Å; L340-Y886 WeakPolarHBondContact O-CD2 2.94Å; L340-Y886 WeakPolarHBondContact O-CE2 3.45Å; L340-F888 HydrophobicContact CB-CZ 4.17Å; L340-F888 HydrophobicContact CD2-CD2 4.45Å; L340-F888 HydrophobicContact CD2-CE2 3.26Å; L340-F888 HydrophobicContact CD2-CZ 3.4Å; L340-F888 VanDerWaalsContact CD2-CZ 3.4Å; L340-F888 HydrophobicContact CG-CZ 4.36Å; L340-P906 HydrophobicContact CD1-CG 4.19Å; L340-P906 HydrophobicContact CD2-CG 3.68Å; L340-L915 HydrophobicContact CD1-CD2 3.6Å; L340-L915 WeakPolarHBondContact CD1-O 3.26Å; L340-L915 VanDerWaalsContact CG-O 3.25Å; L340-L915 WeakPolarHBondContact CG-O 3.47Å; L340-C916 HydrophobicContact CB-CB 3.35Å; L340-C916 HydrophobicContact CD1-CB 3.78Å; L340-C916 HydrophobicContact CG-CB 3.53Å | ||
| 341 | P | 54.6 | Low | 55.8 | Low | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -160 | -171.6 | -158.7 | 42.6 | -15.1 | 0 | 0 | 0 | 118.4 | L339 K343 Y344 I735 L878 S879 I880 Y886 F888 | L339-P341 WeakPolarHBondContact O-CB 3.43Å; L339-P341 VanDerWaalsContact O-CG 3.24Å; L339-P341 WeakPolarHBondContact O-CG 3.18Å; P341-K343 PolarHBondContact O-N 3.17Å; P341-Y344 WeakPolarHBondContact O-CD2 3.2Å; P341-I735 HydrophobicContact CG-CB 3.36Å; P341-I735 HydrophobicContact CG-CD1 3.41Å; P341-I735 VanDerWaalsContact CG-CD1 3.41Å; P341-I735 HydrophobicContact CG-CG1 3.26Å; P341-I735 HydrophobicContact CG-CG2 3.33Å; P341-I735 VanDerWaalsContact CG-N 3.32Å; P341-L878 HydrophobicContact CB-CB 3.59Å; P341-L878 HydrophobicContact CB-CD2 4.26Å; P341-L878 VanDerWaalsContact CB-O 3.28Å; P341-L878 WeakPolarHBondContact CB-O 3.23Å; P341-L878 HydrophobicContact CG-CB 3.36Å; P341-L878 HydrophobicContact CG-CD2 3.84Å; P341-L878 HydrophobicContact CG-CG 4.23Å; P341-S879 CarbonylContact C-O 3.22Å; P341-S879 VanDerWaalsContact C-O 3.23Å; P341-S879 WeakPolarHBondContact CA-O 2.99Å; P341-S879 WeakPolarHBondContact CB-O 2.93Å; P341-I880 HydrophobicContact CB-CB 4.18Å; P341-I880 HydrophobicContact CB-CG2 3.81Å; P341-Y886 WeakPolarHBondContact O-CD1 2.94Å; P341-Y886 WeakPolarHBondContact O-CE1 3.4Å; P341-F888 HydrophobicContact CG-CZ 4.46Å; P341-F888 WeakPolarHBondContact O-CE1 3.12Å | ||
| 342 | E | 64.9 | Low | 58 | Low | 13 Ų | 13 | 16 Ų | 16 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -89.2 | 3.3 | -139.6 | -73.7 | 160 | -158.4 | 0 | 0 | 122.1 | Y344 Y756 I825 S879 I880 H881 Y886 | E342-Y344 PolarHBondContact O-N 3.07Å; E342-Y756 VanDerWaalsContact C-CE1 3.49Å; E342-Y756 HydrophobicContact CB-CD2 4.14Å; E342-Y756 HydrophobicContact CB-CE1 3.91Å; E342-Y756 HydrophobicContact CB-CE2 3.53Å; E342-Y756 VanDerWaalsContact CB-CZ 3.45Å; E342-Y756 HydrophobicContact CG-CD2 4.29Å; E342-Y756 HydrophobicContact CG-CE1 4.32Å; E342-Y756 HydrophobicContact CG-CE2 3.32Å; E342-Y756 WeakPolarHBondContact CG-OH 3.43Å; E342-Y756 WeakPolarHBondContact O-CD1 3.11Å; E342-Y756 WeakPolarHBondContact O-CE1 3.34Å; E342-Y756 VanDerWaalsContact O-CZ 3.29Å; E342-I825 HydrophobicContact CB-CB 4.49Å; E342-I825 HydrophobicContact CB-CD1 3.65Å; E342-I825 HydrophobicContact CB-CG2 4.03Å; E342-I825 HydrophobicContact CG-CD1 4.5Å; E342-I825 WeakPolarHBondContact O-CB 3.48Å; E342-I825 WeakPolarHBondContact O-CG2 3.24Å; E342-I825 WeakPolarHBondContact OE2-CD1 3.34Å; E342-S879 WeakPolarHBondContact CA-O 3.19Å; E342-S879 WeakPolarHBondContact CB-O 3.05Å; E342-S879 VanDerWaalsContact CD-C 3.44Å; E342-S879 VanDerWaalsContact CD-O 3.25Å; E342-S879 WeakPolarHBondContact CG-O 3.45Å; E342-S879 PolarHBondContact N-O 3.27Å; E342-S879 PolarHBondContact OE1-OG 2.88Å; E342-S879 WeakPolarHBondContact OE2-CB 3.35Å; E342-S879 PolarHBondContact OE2-OG 3.42Å; E342-S879 VanDerWaalsContact OE2-OG 3.08Å; E342-I880 WeakPolarHBondContact OE1-CA 3.19Å; E342-I880 PolarHBondContact OE1-N 2.88Å; E342-H881 VanDerWaalsContact CD-CD2 3.47Å; E342-H881 IonicContact OE1-CD2 3.94Å; E342-H881 PolarHBondContact OE1-CD2 2.73Å; E342-H881 IonicContact OE1-CG 3.54Å; E342-H881 PolarHBondContact OE1-N 2.91Å; E342-H881 IonicContact OE1-NE2 3.85Å; E342-Y886 HydrophobicContact CB-CE1 4.5Å; E342-Y886 HydrophobicContact CG-CE1 3.96Å; E342-Y886 WeakPolarHBondContact CG-OH 3.48Å |
| 343 | K | 58.7 | Low | 60.3 | Low | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -84.3 | 45.4 | -164 | -159.7 | -162.4 | 159.9 | -174.4 | 0 | 115.4 | P341 V752 I754 T755 I825 L827 L878 | P341-K343 PolarHBondContact O-N 3.17Å; K343-V752 PolarHBondContact NZ-O 3Å; K343-I754 HydrophobicContact CB-CB 4.3Å; K343-I754 HydrophobicContact CB-CG2 3.95Å; K343-I754 HydrophobicContact CD-CB 3.65Å; K343-I754 HydrophobicContact CD-CD1 4.12Å; K343-I754 HydrophobicContact CD-CG1 4.02Å; K343-I754 HydrophobicContact CD-CG2 4.1Å; K343-I754 HydrophobicContact CG-CB 4.09Å; K343-I754 HydrophobicContact CG-CG2 4.29Å; K343-I754 CarbonylContact O-C 3.6Å; K343-I754 VanDerWaalsContact O-CB 3.32Å; K343-I754 WeakPolarHBondContact O-CB 3.47Å; K343-I754 WeakPolarHBondContact O-CG2 3.45Å; K343-T755 PolarHBondContact O-N 3.35Å; K343-I825 HydrophobicContact CB-CB 4.34Å; K343-I825 HydrophobicContact CB-CG2 3.57Å; K343-I825 VanDerWaalsContact CE-O 3.24Å; K343-I825 WeakPolarHBondContact CE-O 3.15Å; K343-I825 HydrophobicContact CG-CB 4.26Å; K343-I825 HydrophobicContact CG-CG2 3.73Å; K343-I825 WeakPolarHBondContact CG-O 3.15Å; K343-L827 HydrophobicContact CD-CB 4.26Å; K343-L827 HydrophobicContact CD-CD2 3.33Å; K343-L827 HydrophobicContact CD-CG 3.47Å; K343-L827 VanDerWaalsContact CD-CG 3.47Å; K343-L827 HydrophobicContact CG-CD2 4.46Å; K343-L878 HydrophobicContact CB-CD1 4.22Å; K343-L878 HydrophobicContact CB-CD2 3.28Å; K343-L878 HydrophobicContact CB-CG 3.69Å |
| 344 | Y | 67.1 | Low | 63 | Low | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -149.8 | 0 | -135.5 | -77.9 | -77.8 | 0 | 0 | 0 | 117.6 | P341 E342 I735 L737 I754 T755 Y756 N823 T824 I825 L878 F888 R889 | P341-Y344 WeakPolarHBondContact O-CD2 3.2Å; E342-Y344 PolarHBondContact O-N 3.07Å; Y344-I735 HydrophobicContact CE2-CD1 3.78Å; Y344-L737 HydrophobicContact CE2-CD2 4.48Å; Y344-L737 WeakPolarHBondContact OH-CD1 3.42Å; Y344-L737 WeakPolarHBondContact OH-CD2 3.29Å; Y344-I754 HydrophobicContact CD1-CB 4.44Å; Y344-I754 HydrophobicContact CD1-CG2 3.24Å; Y344-I754 HydrophobicContact CD2-CG2 3.71Å; Y344-I754 HydrophobicContact CE1-CB 4.26Å; Y344-I754 HydrophobicContact CE1-CG2 2.92Å; Y344-I754 HydrophobicContact CE2-CG2 3.4Å; Y344-I754 HydrophobicContact CG-CG2 3.54Å; Y344-I754 VanDerWaalsContact OH-CG2 3.25Å; Y344-I754 WeakPolarHBondContact OH-CG2 3.41Å; Y344-T755 VanDerWaalsContact C-C 3.47Å; Y344-T755 VanDerWaalsContact CA-C 3.42Å; Y344-T755 VanDerWaalsContact CB-C 3.5Å; Y344-T755 WeakPolarHBondContact CD1-O 3.27Å; Y344-T755 CarbonylContact O-C 3.37Å; Y344-T755 WeakPolarHBondContact O-CA 3.28Å; Y344-Y756 CarbonylContact C-O 3.27Å; Y344-Y756 HydrophobicContact CG-CG 4.4Å; Y344-Y756 CarbonylContact O-C 2.86Å; Y344-Y756 WeakPolarHBondContact O-CA 3.34Å; Y344-Y756 PolarHBondContact O-N 3.37Å; Y344-N823 CarbonylContact C-O 3.47Å; Y344-N823 CarbonylContact O-C 3.25Å; Y344-N823 VanDerWaalsContact O-CA 3.31Å; Y344-N823 WeakPolarHBondContact O-CA 3.43Å; Y344-N823 PolarHBondContact O-N 2.83Å; Y344-T824 PolarHBondContact O-N 2.82Å; Y344-I825 VanDerWaalsContact N-N 3.11Å; Y344-L878 HydrophobicContact CD2-CD2 3.14Å; Y344-L878 HydrophobicContact CD2-CG 4.48Å; Y344-L878 HydrophobicContact CE2-CD1 3.89Å; Y344-L878 HydrophobicContact CE2-CD2 3.17Å; Y344-L878 HydrophobicContact CE2-CG 4.22Å; Y344-L878 HydrophobicContact CG-CD2 4.4Å; Y344-F888 HydrophobicContact CD1-CB 3.94Å; Y344-F888 AromaticContact CD1-CD1 3.42Å; Y344-F888 HydrophobicContact CD1-CD1 3.42Å; Y344-F888 VanDerWaalsContact CD1-CD1 3.42Å; Y344-F888 HydrophobicContact CD1-CE1 4.42Å; Y344-F888 HydrophobicContact CD1-CG 4.05Å; Y344-F888 AromaticContact CD2-CD1 3.27Å; Y344-F888 HydrophobicContact CD2-CD1 3.27Å; Y344-F888 AromaticContact CD2-CE1 3.61Å; Y344-F888 HydrophobicContact CD2-CE1 3.61Å; Y344-F888 HydrophobicContact CD2-CG 4.18Å; Y344-F888 HydrophobicContact CE1-CB 3.14Å; Y344-F888 AromaticContact CE1-CD1 3.33Å; Y344-F888 HydrophobicContact CE1-CD1 3.33Å; Y344-F888 AromaticContact CE1-CG 3.49Å; Y344-F888 HydrophobicContact CE1-CG 3.49Å; Y344-F888 VanDerWaalsContact CE1-CG 3.49Å; Y344-F888 HydrophobicContact CE2-CB 4.18Å; Y344-F888 AromaticContact CE2-CD1 3.2Å; Y344-F888 HydrophobicContact CE2-CD1 3.2Å; Y344-F888 HydrophobicContact CE2-CD2 4.42Å; Y344-F888 AromaticContact CE2-CE1 3.74Å; Y344-F888 HydrophobicContact CE2-CE1 3.74Å; Y344-F888 AromaticContact CE2-CG 3.65Å; Y344-F888 HydrophobicContact CE2-CG 3.65Å; Y344-F888 AromaticContact CG-CD1 3.56Å; Y344-F888 HydrophobicContact CG-CD1 3.56Å; Y344-F888 HydrophobicContact CG-CE1 4.15Å; Y344-F888 AromaticContact CZ-CD1 3.32Å; Y344-F888 AromaticContact CZ-CG 3.36Å; Y344-R889 WeakPolarHBondContact CE1-O 3.09Å |
| 345 | G | 75.4 | Confident | 66 | Low | 4 Ų | 4 | 5.5 Ų | 5.5 | 4% | 0.041 | 3% | 0.028 | C | C | . | . | 0 | 112.7 | 0 | 0 | 0 | 0 | 0 | 0 | 125.5 | Y756 I757 T758 N823 | G345-Y756 VanDerWaalsContact C-C 3.43Å; G345-Y756 VanDerWaalsContact C-CE1 3.48Å; G345-Y756 VanDerWaalsContact CA-CB 3.42Å; G345-Y756 WeakPolarHBondContact CA-O 3.49Å; G345-Y756 PolarHBondContact N-O 3.47Å; G345-Y756 CarbonylContact O-C 3.41Å; G345-I757 CarbonylContact O-C 3.18Å; G345-I757 VanDerWaalsContact O-C 3.25Å; G345-I757 WeakPolarHBondContact O-CA 3.34Å; G345-I757 PolarHBondContact O-N 2.87Å; G345-T758 VanDerWaalsContact O-CB 3.23Å; G345-T758 WeakPolarHBondContact O-CB 3.21Å; G345-T758 WeakPolarHBondContact O-CG2 3.44Å; G345-T758 PolarHBondContact O-N 2.98Å; G345-T758 PolarHBondContact O-OG1 2.82Å; G345-N823 VanDerWaalsContact N-CB 3.34Å | |||
| 346 | I | 82.1 | Confident | 69 | Low | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -133 | 157.2 | -173.4 | -96 | 145.2 | 0 | 0 | 0 | 123.1 | I357 Y756 I757 T758 V884 I885 Y886 I950 | I346-I357 HydrophobicContact CD1-CD1 4.38Å; I346-I357 HydrophobicContact CG1-CD1 4.41Å; I346-Y756 VanDerWaalsContact CA-CD2 3.48Å; I346-Y756 HydrophobicContact CB-CD2 3.15Å; I346-Y756 HydrophobicContact CB-CE2 3.33Å; I346-Y756 HydrophobicContact CB-CG 3.77Å; I346-Y756 VanDerWaalsContact CD1-CB 3.49Å; I346-Y756 HydrophobicContact CD1-CD2 4.27Å; I346-Y756 HydrophobicContact CD1-CG 4.46Å; I346-Y756 HydrophobicContact CG1-CD2 4.11Å; I346-Y756 HydrophobicContact CG1-CG 4.4Å; I346-Y756 HydrophobicContact CG2-CD2 3.81Å; I346-Y756 HydrophobicContact CG2-CE2 3.73Å; I346-Y756 PolarHBondContact O-OH 3.19Å; I346-I757 WeakPolarHBondContact CD1-O 3.21Å; I346-I757 WeakPolarHBondContact CG1-O 3.49Å; I346-T758 VanDerWaalsContact CA-CA 3.48Å; I346-V884 HydrophobicContact CG2-CG1 3.32Å; I346-I885 WeakPolarHBondContact CG2-O 3.29Å; I346-Y886 HydrophobicContact CB-CD1 3.81Å; I346-Y886 HydrophobicContact CB-CE1 3.91Å; I346-Y886 HydrophobicContact CB-CG 4.3Å; I346-Y886 HydrophobicContact CD1-CD1 3.98Å; I346-Y886 HydrophobicContact CD1-CG 4.07Å; I346-Y886 HydrophobicContact CG1-CD1 4.42Å; I346-Y886 HydrophobicContact CG2-CD1 3.24Å; I346-Y886 HydrophobicContact CG2-CD2 3.7Å; I346-Y886 HydrophobicContact CG2-CE1 3.2Å; I346-Y886 HydrophobicContact CG2-CE2 3.58Å; I346-Y886 HydrophobicContact CG2-CG 3.45Å; I346-Y886 VanDerWaalsContact CG2-CG 3.45Å; I346-I950 WeakPolarHBondContact O-CD1 3.46Å; I346-I950 WeakPolarHBondContact O-CG1 3.38Å | ||
| 347 | K | 84.3 | Confident | 72 | Confident | 10 Ų | 10 | 7.6 Ų | 7.6 | 4% | 0.043 | 4% | 0.036 | C | C | . | . | trans | -136.7 | 162.7 | 176.6 | -75.8 | 153.5 | -136.2 | -102.2 | 0 | 115.6 | T758 G759 F760 V884 I885 D948 I950 | K347-T758 HydrophobicContact CB-CG2 3.94Å; K347-T758 HydrophobicContact CD-CG2 3.39Å; K347-T758 HydrophobicContact CG-CG2 3.59Å; K347-G759 CarbonylContact C-O 3.58Å; K347-G759 VanDerWaalsContact CA-O 3.28Å; K347-G759 WeakPolarHBondContact CA-O 3.42Å; K347-G759 WeakPolarHBondContact CB-O 3.18Å; K347-G759 CarbonylContact O-C 3.23Å; K347-G759 WeakPolarHBondContact O-CA 3.35Å; K347-G759 PolarHBondContact O-N 2.65Å; K347-F760 HydrophobicContact CB-CB 3.98Å; K347-F760 HydrophobicContact CB-CD1 4.24Å; K347-F760 HydrophobicContact CB-CG 4.21Å; K347-F760 HydrophobicContact CD-CB 4.45Å; K347-F760 HydrophobicContact CD-CD1 3.12Å; K347-F760 HydrophobicContact CD-CE1 3.32Å; K347-F760 HydrophobicContact CD-CG 3.9Å; K347-F760 HydrophobicContact CD-CZ 4.17Å; K347-F760 HydrophobicContact CG-CD1 4.1Å; K347-V884 HydrophobicContact CB-CG2 4.47Å; K347-I885 PolarHBondContact O-N 3.12Å; K347-D948 IonicContact NZ-OD1 3.28Å; K347-D948 PolarHBondContact NZ-OD1 3.31Å; K347-D948 IonicContact NZ-OD2 3.55Å; K347-D948 PolarHBondContact NZ-OD2 2.99Å; K347-I950 HydrophobicContact CB-CG1 4.48Å; K347-I950 HydrophobicContact CD-CB 3.74Å; K347-I950 HydrophobicContact CD-CG1 4.36Å; K347-I950 HydrophobicContact CG-CB 3.28Å; K347-I950 HydrophobicContact CG-CD1 3.94Å; K347-I950 HydrophobicContact CG-CG1 3.42Å; K347-I950 VanDerWaalsContact CG-CG1 3.42Å; K347-I950 HydrophobicContact CG-CG2 4.48Å; K347-I950 VanDerWaalsContact NZ-CG2 3.28Å | ||
| 348 | L | 84.4 | Confident | 74.3 | Confident | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | trans | -120.1 | -176.8 | 137.2 | -51.3 | 141 | 0 | 0 | 0 | 100.6 | G352 E354 G759 F801 D883 V884 I885 I917 | L348-G352 VanDerWaalsContact CD1-CA 3.49Å; L348-E354 WeakPolarHBondContact CA-O 3.45Å; L348-E354 WeakPolarHBondContact CB-O 3.3Å; L348-E354 WeakPolarHBondContact CD2-O 3.12Å; L348-G759 CarbonylContact C-O 3.58Å; L348-G759 WeakPolarHBondContact CA-O 3.46Å; L348-G759 PolarHBondContact N-O 2.93Å; L348-F801 HydrophobicContact CD2-CE1 3.57Å; L348-F801 HydrophobicContact CD2-CZ 3.96Å; L348-D883 CarbonylContact C-O 3.43Å; L348-D883 VanDerWaalsContact CA-O 3.25Å; L348-D883 WeakPolarHBondContact CA-O 3.43Å; L348-D883 WeakPolarHBondContact CB-O 3.48Å; L348-D883 VanDerWaalsContact CB-OD1 3.27Å; L348-D883 WeakPolarHBondContact CB-OD1 3.4Å; L348-D883 HydrophobicContact CD1-CB 4.23Å; L348-D883 WeakPolarHBondContact CD1-OD1 3.43Å; L348-D883 PolarHBondContact N-O 2.6Å; L348-V884 VanDerWaalsContact CB-CA 3.5Å; L348-V884 VanDerWaalsContact CG-C 3.44Å; L348-V884 VanDerWaalsContact CG-CA 3.4Å; L348-V884 VanDerWaalsContact N-CB 3.32Å; L348-I885 HydrophobicContact CB-CG1 4.21Å; L348-I885 HydrophobicContact CD1-CG1 4.16Å; L348-I885 HydrophobicContact CD2-CD1 3.16Å; L348-I885 HydrophobicContact CD2-CG1 3.05Å; L348-I885 HydrophobicContact CG-CB 4.37Å; L348-I885 HydrophobicContact CG-CD1 3.9Å; L348-I885 HydrophobicContact CG-CG1 3.18Å; L348-I917 HydrophobicContact CD1-CB 4.34Å; L348-I917 HydrophobicContact CD1-CG1 4.42Å; L348-I917 HydrophobicContact CD1-CG2 3.73Å | ||
| 349 | K | 80.8 | Confident | 76.4 | Confident | 17 Ų | 17 | 7.8 Ų | 7.8 | 7% | 0.074 | 4% | 0.038 | C | C | . | . | trans | -164 | 156.6 | 173.2 | -145.1 | -158.1 | -113.7 | 140.4 | 0 | 103.7 | L353 E354 F760 Y761 R762 D883 P949 | K349-L353 CarbonylContact O-C 3.46Å; K349-E354 PolarHBondContact O-N 2.79Å; K349-F760 HydrophobicContact CB-CB 3.46Å; K349-F760 VanDerWaalsContact CB-CB 3.46Å; K349-F760 HydrophobicContact CD-CB 3.54Å; K349-F760 HydrophobicContact CD-CD1 4.28Å; K349-F760 HydrophobicContact CD-CG 4.23Å; K349-F760 VanDerWaalsContact CE-CG 3.43Å; K349-F760 HydrophobicContact CG-CB 3.76Å; K349-F760 VanDerWaalsContact NZ-CB 3.28Å; K349-F760 PolarHBondContact NZ-O 3.11Å; K349-Y761 CarbonylContact C-O 3.54Å; K349-Y761 WeakPolarHBondContact CB-O 3.21Å; K349-Y761 VanDerWaalsContact CD-C 3.43Å; K349-Y761 WeakPolarHBondContact CD-O 2.8Å; K349-Y761 WeakPolarHBondContact CG-O 3.12Å; K349-Y761 VanDerWaalsContact O-CB 3.31Å; K349-Y761 WeakPolarHBondContact O-CB 3.47Å; K349-R762 HydrophobicContact CD-CB 3.61Å; K349-R762 HydrophobicContact CD-CG 3.52Å; K349-R762 HydrophobicContact CG-CB 4.47Å; K349-R762 HydrophobicContact CG-CG 3.91Å; K349-D883 VanDerWaalsContact CA-CG 3.48Å; K349-D883 WeakPolarHBondContact CA-OD1 3.46Å; K349-D883 WeakPolarHBondContact CA-OD2 3.44Å; K349-D883 PolarHBondContact N-OD1 2.85Å; K349-D883 VanDerWaalsContact O-OD1 3.11Å; K349-P949 HydrophobicContact CD-CB 4.05Å; K349-P949 HydrophobicContact CG-CB 4.26Å | ||
| 350 | N | 79.2 | Confident | 78 | Confident | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 56.8 | -166.8 | -67.7 | -3.9 | 0 | 0 | 0 | 117.6 | E208 G352 L353 Y761 R762 D883 | E208-N350 PolarHBondContact O-ND2 2.9Å; E208-N350 PolarHBondContact O-OD1 3.49Å; N350-G352 PolarHBondContact O-N 3.34Å; N350-L353 HydrophobicContact CB-CB 3.59Å; N350-L353 HydrophobicContact CB-CD1 3.74Å; N350-L353 HydrophobicContact CB-CG 4.15Å; N350-L353 WeakPolarHBondContact O-CB 3.49Å; N350-L353 WeakPolarHBondContact O-CD1 3.35Å; N350-L353 WeakPolarHBondContact O-CG 3.36Å; N350-L353 PolarHBondContact O-N 3.01Å; N350-Y761 HydrophobicContact CB-CD2 3.85Å; N350-Y761 HydrophobicContact CB-CG 4.1Å; N350-Y761 WeakPolarHBondContact ND2-CB 3.07Å; N350-Y761 VanDerWaalsContact ND2-CG 3.31Å; N350-Y761 PolarHBondContact OD1-O 2.72Å; N350-Y761 VanDerWaalsContact OD1-O 3.13Å; N350-R762 VanDerWaalsContact OD1-CA 3.3Å; N350-R762 WeakPolarHBondContact OD1-CA 3.42Å; N350-D883 VanDerWaalsContact C-OD1 3.26Å; N350-D883 WeakPolarHBondContact CA-OD2 3.46Å; N350-D883 PolarHBondContact N-OD1 2.72Å; N350-D883 PolarHBondContact N-OD2 3.27Å |
| 351 | H | 75.2 | Confident | 79.2 | Confident | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.009 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 21.8 | 162 | -41.8 | -103.4 | 0 | 0 | 0 | 119.5 | D209 R210 Y799 D883 P919 P920 P955 | D209-H351 WeakPolarHBondContact CB-NE2 3.46Å; D209-H351 IonicContact OD2-CE1 2.69Å; D209-H351 IonicContact OD2-NE2 3.26Å; D209-H351 PolarHBondContact OD2-NE2 2.9Å; R210-H351 HydrophobicContact CG-CB 3.54Å; R210-H351 VanDerWaalsContact CG-CD2 3.41Å; R210-H351 WeakPolarHBondContact CG-CD2 3.49Å; R210-H351 VanDerWaalsContact CG-CE1 3.49Å; R210-H351 WeakPolarHBondContact CG-CE1 3.36Å; R210-H351 WeakPolarHBondContact CG-ND1 3.25Å; R210-H351 PolarHBondContact N-CD2 2.95Å; R210-H351 PolarHBondContact N-NE2 2.96Å; H351-Y799 HydrophobicContact CB-CD1 4.2Å; H351-Y799 HydrophobicContact CB-CG 4.45Å; H351-Y799 WeakPolarHBondContact O-CD2 3.43Å; H351-Y799 VanDerWaalsContact O-CG 3.27Å; H351-D883 PolarHBondContact N-OD1 3.36Å; H351-D883 PolarHBondContact N-OD2 3.43Å; H351-P919 WeakPolarHBondContact O-CA 3.44Å; H351-P920 HydrophobicContact CB-CB 3.7Å; H351-P920 HydrophobicContact CB-CG 3.56Å; H351-P920 WeakPolarHBondContact ND1-CB 3.04Å; H351-P920 VanDerWaalsContact ND1-CG 3.25Å; H351-P920 WeakPolarHBondContact ND1-CG 3.36Å; H351-P920 WeakPolarHBondContact O-CD 3.3Å; H351-P955 WeakPolarHBondContact CE1-CD 2.82Å; H351-P955 WeakPolarHBondContact CE1-CG 2.76Å; H351-P955 WeakPolarHBondContact NE2-CG 3.3Å |
| 352 | G | 78.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | 39.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L348 N350 Y799 F801 D883 F918 | L348-G352 VanDerWaalsContact CD1-CA 3.49Å; N350-G352 PolarHBondContact O-N 3.34Å; G352-Y799 WeakPolarHBondContact O-CB 3.39Å; G352-F801 VanDerWaalsContact O-CD2 3.24Å; G352-F801 WeakPolarHBondContact O-CD2 3.05Å; G352-F801 WeakPolarHBondContact O-CE2 2.97Å; G352-F801 WeakPolarHBondContact O-CZ 3.01Å; G352-D883 VanDerWaalsContact N-CG 3.26Å; G352-D883 PolarHBondContact N-OD1 2.71Å; G352-F918 WeakPolarHBondContact CA-O 3.32Å |
| 353 | L | 82.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -135.2 | 5.4 | -169 | -61.6 | 168.7 | 0 | 0 | 0 | 121 | I213 K303 K349 N350 Y761 Y799 F801 D883 | I213-L353 HydrophobicContact CD1-CB 4.17Å; I213-L353 HydrophobicContact CD1-CD1 3.32Å; I213-L353 HydrophobicContact CD1-CD2 3.63Å; I213-L353 HydrophobicContact CD1-CG 3.91Å; I213-L353 HydrophobicContact CG1-CD1 4.15Å; K303-L353 WeakPolarHBondContact CB-O 3.4Å; K303-L353 WeakPolarHBondContact CG-O 3.38Å; K349-L353 CarbonylContact O-C 3.46Å; N350-L353 HydrophobicContact CB-CB 3.59Å; N350-L353 HydrophobicContact CB-CD1 3.74Å; N350-L353 HydrophobicContact CB-CG 4.15Å; N350-L353 WeakPolarHBondContact O-CB 3.49Å; N350-L353 WeakPolarHBondContact O-CD1 3.35Å; N350-L353 WeakPolarHBondContact O-CG 3.36Å; N350-L353 PolarHBondContact O-N 3.01Å; L353-Y761 HydrophobicContact CB-CD2 3.56Å; L353-Y761 HydrophobicContact CB-CE2 3.85Å; L353-Y761 WeakPolarHBondContact O-CD2 3.38Å; L353-Y761 WeakPolarHBondContact O-CE2 3.14Å; L353-Y799 HydrophobicContact CD1-CD1 4.1Å; L353-Y799 HydrophobicContact CD2-CD1 4.39Å; L353-Y799 HydrophobicContact CD2-CG 4.42Å; L353-Y799 HydrophobicContact CG-CD1 4.24Å; L353-Y799 HydrophobicContact CG-CG 4.34Å; L353-F801 VanDerWaalsContact CA-CG 3.48Å; L353-F801 HydrophobicContact CB-CB 3.96Å; L353-F801 HydrophobicContact CB-CD1 4.25Å; L353-F801 HydrophobicContact CB-CD2 4.45Å; L353-F801 HydrophobicContact CB-CG 4.05Å; L353-F801 HydrophobicContact CD2-CB 3.35Å; L353-F801 HydrophobicContact CD2-CD2 3.5Å; L353-F801 HydrophobicContact CD2-CE2 4.43Å; L353-F801 HydrophobicContact CD2-CG 3.6Å; L353-F801 HydrophobicContact CG-CB 4.3Å; L353-F801 HydrophobicContact CG-CD2 4.44Å; L353-F801 HydrophobicContact CG-CG 4.43Å; L353-F801 WeakPolarHBondContact O-CB 3.44Å; L353-F801 WeakPolarHBondContact O-CD1 3.31Å; L353-F801 WeakPolarHBondContact O-CG 3.28Å; L353-D883 PolarHBondContact N-OD1 2.78Å | ||
| 354 | E | 87.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 8.3 Ų | 8.3 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | trans | -159.4 | 150.7 | 169.4 | 171.8 | 142.8 | -144.4 | 0 | 0 | 118.3 | K303 L348 K349 Y356 F760 Y761 I808 A809 | K303-E354 HydrophobicContact CB-CB 4.46Å; K303-E354 HydrophobicContact CD-CB 4.43Å; K303-E354 HydrophobicContact CD-CG 4.09Å; K303-E354 WeakPolarHBondContact CD-OE1 3.29Å; K303-E354 WeakPolarHBondContact CE-OE1 3.13Å; K303-E354 WeakPolarHBondContact CE-OE2 3.4Å; K303-E354 HydrophobicContact CG-CB 3.57Å; K303-E354 HydrophobicContact CG-CG 3.73Å; K303-E354 IonicContact NZ-OE2 2.69Å; L348-E354 WeakPolarHBondContact CA-O 3.45Å; L348-E354 WeakPolarHBondContact CB-O 3.3Å; L348-E354 WeakPolarHBondContact CD2-O 3.12Å; K349-E354 PolarHBondContact O-N 2.79Å; E354-Y356 WeakPolarHBondContact OE1-CB 3.46Å; E354-F760 VanDerWaalsContact OE2-C 3.28Å; E354-Y761 HydrophobicContact CB-CD2 3.82Å; E354-Y761 HydrophobicContact CB-CG 3.82Å; E354-Y761 VanDerWaalsContact CB-N 3.31Å; E354-Y761 WeakPolarHBondContact OE2-CA 3.39Å; E354-Y761 WeakPolarHBondContact OE2-CB 3.49Å; E354-Y761 VanDerWaalsContact OE2-CG 3.28Å; E354-Y761 PolarHBondContact OE2-N 2.89Å; E354-I808 WeakPolarHBondContact OE1-CG2 3.38Å; E354-A809 HydrophobicContact CG-CB 3.77Å; E354-A809 WeakPolarHBondContact OE1-CB 3.32Å; E354-A809 PolarHBondContact OE1-N 2.81Å | ||
| 355 | L | 89.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -103.2 | 22 | 170.7 | -137 | -175.7 | 0 | 0 | 0 | 117.4 | I302 I357 Y368 G759 A809 I813 I885 L915 | I302-L355 HydrophobicContact CD1-CB 3.58Å; I302-L355 HydrophobicContact CD1-CD1 4.06Å; I302-L355 HydrophobicContact CD1-CG 4.24Å; I302-L355 HydrophobicContact CG1-CB 3.91Å; I302-L355 HydrophobicContact CG2-CB 4.04Å; I302-L355 HydrophobicContact CG2-CD1 4.46Å; I302-L355 PolarHBondContact O-N 2.7Å; L355-I357 HydrophobicContact CD2-CD1 3.46Å; L355-I357 VanDerWaalsContact CD2-CD1 3.46Å; L355-I357 HydrophobicContact CD2-CG1 3.74Å; L355-I357 WeakPolarHBondContact O-CG1 3.5Å; L355-I357 PolarHBondContact O-N 2.9Å; L355-Y368 HydrophobicContact CD1-CD2 4.16Å; L355-Y368 HydrophobicContact CD1-CE2 3.18Å; L355-Y368 WeakPolarHBondContact CD1-OH 3.36Å; L355-Y368 HydrophobicContact CG-CE2 4.5Å; L355-G759 WeakPolarHBondContact O-CA 3.37Å; L355-A809 VanDerWaalsContact CA-CB 3.46Å; L355-A809 HydrophobicContact CB-CB 3.78Å; L355-A809 VanDerWaalsContact O-CB 3.3Å; L355-A809 WeakPolarHBondContact O-CB 2.88Å; L355-I813 HydrophobicContact CB-CD1 3.77Å; L355-I813 HydrophobicContact CD1-CD1 3.22Å; L355-I813 HydrophobicContact CD2-CD1 3.39Å; L355-I813 HydrophobicContact CD2-CG1 4.32Å; L355-I813 HydrophobicContact CG-CD1 3.45Å; L355-I813 VanDerWaalsContact CG-CD1 3.45Å; L355-I813 VanDerWaalsContact O-CD1 3.29Å; L355-I813 WeakPolarHBondContact O-CD1 3.47Å; L355-I813 VanDerWaalsContact O-CG1 3.27Å; L355-I813 WeakPolarHBondContact O-CG1 3.19Å; L355-I885 HydrophobicContact CB-CD1 3.43Å; L355-I885 VanDerWaalsContact CB-CD1 3.43Å; L355-I885 HydrophobicContact CB-CG1 4.41Å; L355-I885 HydrophobicContact CD1-CB 4.27Å; L355-I885 HydrophobicContact CD1-CD1 4.07Å; L355-I885 HydrophobicContact CD1-CG2 4.02Å; L355-I885 HydrophobicContact CD2-CB 3.78Å; L355-I885 HydrophobicContact CD2-CD1 4.31Å; L355-I885 HydrophobicContact CD2-CG1 4.43Å; L355-I885 HydrophobicContact CD2-CG2 4.32Å; L355-I885 VanDerWaalsContact CD2-O 3.23Å; L355-I885 WeakPolarHBondContact CD2-O 3.15Å; L355-I885 HydrophobicContact CG-CB 3.66Å; L355-I885 HydrophobicContact CG-CD1 3.36Å; L355-I885 HydrophobicContact CG-CG1 3.96Å; L355-I885 HydrophobicContact CG-CG2 3.98Å; L355-L915 HydrophobicContact CD1-CD1 3.29Å; L355-L915 HydrophobicContact CD1-CD2 3.91Å; L355-L915 HydrophobicContact CD1-CG 4.07Å; L355-L915 HydrophobicContact CG-CD1 4.17Å | ||
| 356 | Y | 90 | Very high | 84.1 | Confident | 66 Ų | 66 | 10.9 Ų | 10.9 | 26% | 0.259 | 5% | 0.052 | S | C | . | . | trans | -68.7 | 97.9 | -165.6 | 138.7 | 35.2 | 0 | 0 | 0 | 111.9 | E354 T758 G759 F760 | E354-Y356 WeakPolarHBondContact OE1-CB 3.46Å; Y356-T758 CarbonylContact O-C 3.56Å; Y356-G759 CarbonylContact O-C 3.26Å; Y356-G759 WeakPolarHBondContact O-CA 3.19Å; Y356-F760 VanDerWaalsContact CA-N 3.33Å; Y356-F760 HydrophobicContact CD1-CD2 4.06Å; Y356-F760 HydrophobicContact CD1-CE2 4.24Å; Y356-F760 AromaticContact CD2-CD2 3.51Å; Y356-F760 HydrophobicContact CD2-CD2 3.51Å; Y356-F760 HydrophobicContact CD2-CE2 4.16Å; Y356-F760 HydrophobicContact CD2-CG 4.41Å; Y356-F760 WeakPolarHBondContact CD2-O 3.21Å; Y356-F760 AromaticContact CE1-CD2 3.83Å; Y356-F760 HydrophobicContact CE1-CD2 3.83Å; Y356-F760 AromaticContact CE1-CE2 3.57Å; Y356-F760 HydrophobicContact CE1-CE2 3.57Å; Y356-F760 AromaticContact CE2-CD2 3.3Å; Y356-F760 HydrophobicContact CE2-CD2 3.3Å; Y356-F760 AromaticContact CE2-CE2 3.54Å; Y356-F760 HydrophobicContact CE2-CE2 3.54Å; Y356-F760 HydrophobicContact CE2-CG 4.3Å; Y356-F760 AromaticContact CG-CD2 3.83Å; Y356-F760 HydrophobicContact CG-CD2 3.83Å; Y356-F760 HydrophobicContact CG-CE2 4.43Å; Y356-F760 AromaticContact CZ-CD2 3.44Å; Y356-F760 VanDerWaalsContact CZ-CD2 3.44Å; Y356-F760 AromaticContact CZ-CE2 3.16Å; Y356-F760 WeakPolarHBondContact O-CD2 3.39Å; Y356-F760 PolarHBondContact O-N 3.2Å; Y356-F760 VanDerWaalsContact OH-CE2 3.26Å; Y356-F760 WeakPolarHBondContact OH-CE2 3.09Å | ||
| 357 | I | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | trans | -88.9 | 128.4 | -176.2 | -68.5 | 169.4 | 0 | 0 | 0 | 111.1 | S299 I346 L355 T359 V360 H364 I757 T758 G759 I813 S816 | S299-I357 VanDerWaalsContact CA-O 3.26Å; S299-I357 WeakPolarHBondContact CA-O 3.36Å; S299-I357 VanDerWaalsContact CB-O 3.27Å; S299-I357 WeakPolarHBondContact CB-O 3.34Å; I346-I357 HydrophobicContact CD1-CD1 4.38Å; I346-I357 HydrophobicContact CG1-CD1 4.41Å; L355-I357 HydrophobicContact CD2-CD1 3.46Å; L355-I357 VanDerWaalsContact CD2-CD1 3.46Å; L355-I357 HydrophobicContact CD2-CG1 3.74Å; L355-I357 WeakPolarHBondContact O-CG1 3.5Å; L355-I357 PolarHBondContact O-N 2.9Å; I357-T359 PolarHBondContact O-N 2.75Å; I357-V360 HydrophobicContact CB-CG2 3.49Å; I357-V360 VanDerWaalsContact CB-CG2 3.49Å; I357-V360 HydrophobicContact CD1-CG2 3.34Å; I357-V360 HydrophobicContact CG1-CG2 3.93Å; I357-V360 HydrophobicContact CG2-CB 3.99Å; I357-V360 HydrophobicContact CG2-CG2 3.09Å; I357-V360 VanDerWaalsContact CG2-N 3.33Å; I357-H364 VanDerWaalsContact CD1-CE1 3.45Å; I357-H364 WeakPolarHBondContact CD1-CE1 3.49Å; I357-H364 WeakPolarHBondContact CD1-ND1 3.14Å; I357-I757 WeakPolarHBondContact CD1-O 3.23Å; I357-I757 VanDerWaalsContact CG1-C 3.48Å; I357-I757 WeakPolarHBondContact CG1-O 3.31Å; I357-I757 HydrophobicContact CG2-CB 3.61Å; I357-I757 HydrophobicContact CG2-CG2 4.27Å; I357-I757 VanDerWaalsContact CG2-O 3.24Å; I357-I757 WeakPolarHBondContact CG2-O 3.3Å; I357-T758 VanDerWaalsContact CG1-N 3.33Å; I357-G759 VanDerWaalsContact CG1-N 3.33Å; I357-I813 HydrophobicContact CB-CB 3.94Å; I357-I813 HydrophobicContact CB-CG1 3.66Å; I357-I813 HydrophobicContact CD1-CB 3.82Å; I357-I813 HydrophobicContact CD1-CD1 3.53Å; I357-I813 HydrophobicContact CD1-CG1 3.41Å; I357-I813 VanDerWaalsContact CD1-CG1 3.41Å; I357-I813 HydrophobicContact CD1-CG2 3.9Å; I357-I813 HydrophobicContact CG1-CB 4.22Å; I357-I813 HydrophobicContact CG1-CD1 4.05Å; I357-I813 HydrophobicContact CG1-CG1 3.59Å; I357-S816 WeakPolarHBondContact CG2-OG 3.19Å; I357-S816 PolarHBondContact O-OG 3.13Å | ||
| 358 | P | 82.7 | Confident | 84.5 | Confident | 37 Ų | 37 | 10.4 Ų | 10.4 | 24% | 0.24 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -63 | -31.1 | 172.5 | 27.8 | -36.8 | 0 | 0 | 0 | 114.4 | T758 F760 | P358-T758 VanDerWaalsContact CD-C 3.47Å; P358-T758 VanDerWaalsContact CD-CB 3.45Å; P358-T758 WeakPolarHBondContact CD-O 3.34Å; P358-T758 VanDerWaalsContact CG-OG1 3.29Å; P358-T758 WeakPolarHBondContact CG-OG1 3.4Å; P358-F760 HydrophobicContact CB-CE2 4.46Å; P358-F760 HydrophobicContact CG-CE2 4.24Å; P358-F760 HydrophobicContact CG-CZ 4.48Å |
| 359 | T | 85.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -155.5 | 44.4 | -172.7 | -22.6 | 0 | 0 | 0 | 0 | 119.9 | I357 Q361 I757 S816 N819 Q821 | I357-T359 PolarHBondContact O-N 2.75Å; T359-Q361 PolarHBondContact O-NE2 3.16Å; T359-I757 WeakPolarHBondContact O-CG1 3.5Å; T359-I757 WeakPolarHBondContact O-CG2 3.45Å; T359-S816 CarbonylContact C-O 3.09Å; T359-N819 HydrophobicContact CG2-CB 3.23Å; T359-Q821 HydrophobicContact CG2-CB 3.58Å; T359-Q821 HydrophobicContact CG2-CG 3.56Å; T359-Q821 PolarHBondContact OG1-NE2 3.02Å; T359-Q821 PolarHBondContact OG1-OE1 3.01Å; T359-Q821 VanDerWaalsContact OG1-OE1 3.09Å |
| 360 | V | 84.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -38.8 | 165.7 | -175.2 | 160.4 | 0 | 0 | 0 | 0 | 118.9 | I357 H364 I757 I813 S816 I817 | I357-V360 HydrophobicContact CB-CG2 3.49Å; I357-V360 VanDerWaalsContact CB-CG2 3.49Å; I357-V360 HydrophobicContact CD1-CG2 3.34Å; I357-V360 HydrophobicContact CG1-CG2 3.93Å; I357-V360 HydrophobicContact CG2-CB 3.99Å; I357-V360 HydrophobicContact CG2-CG2 3.09Å; I357-V360 VanDerWaalsContact CG2-N 3.33Å; V360-H364 HydrophobicContact CG1-CB 3.3Å; V360-H364 WeakPolarHBondContact CG1-ND1 3.39Å; V360-H364 HydrophobicContact CG2-CB 4.42Å; V360-H364 WeakPolarHBondContact CG2-ND1 3.44Å; V360-I757 HydrophobicContact CB-CD1 4.33Å; V360-I757 HydrophobicContact CG2-CB 4.37Å; V360-I757 HydrophobicContact CG2-CD1 4.12Å; V360-I813 HydrophobicContact CB-CB 4Å; V360-I813 HydrophobicContact CB-CG2 4.07Å; V360-I813 HydrophobicContact CG1-CB 4.26Å; V360-I813 HydrophobicContact CG1-CG2 3.81Å; V360-I813 HydrophobicContact CG2-CB 3.27Å; V360-I813 HydrophobicContact CG2-CG1 4.22Å; V360-I813 HydrophobicContact CG2-CG2 3.35Å; V360-S816 VanDerWaalsContact C-C 3.48Å; V360-S816 CarbonylContact C-O 3.39Å; V360-S816 VanDerWaalsContact CA-C 3.44Å; V360-S816 VanDerWaalsContact CB-C 3.42Å; V360-S816 WeakPolarHBondContact CB-OG 3.37Å; V360-S816 WeakPolarHBondContact CG2-OG 3.34Å; V360-S816 PolarHBondContact N-O 3.16Å; V360-S816 VanDerWaalsContact N-O 3.11Å; V360-S816 PolarHBondContact N-OG 2.69Å; V360-S816 CarbonylContact O-C 2.91Å; V360-I817 VanDerWaalsContact C-N 3.34Å; V360-I817 HydrophobicContact CB-CD1 4.48Å; V360-I817 HydrophobicContact CB-CG1 4.49Å; V360-I817 HydrophobicContact CG1-CB 4Å; V360-I817 HydrophobicContact CG1-CD1 3.41Å; V360-I817 VanDerWaalsContact CG1-CD1 3.41Å; V360-I817 HydrophobicContact CG1-CG1 3.35Å; V360-I817 VanDerWaalsContact CG1-N 3.32Å; V360-I817 CarbonylContact O-C 3.21Å; V360-I817 WeakPolarHBondContact O-CA 3.4Å; V360-I817 PolarHBondContact O-N 2.87Å | ||
| 361 | Q | 85.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -130.4 | 177.3 | 169.6 | -63.7 | 103.7 | 28.3 | 0 | 0 | 119.1 | T359 I363 H364 I757 I817 Q821 W822 | T359-Q361 PolarHBondContact O-NE2 3.16Å; Q361-I363 HydrophobicContact CB-CD1 4.27Å; Q361-I363 HydrophobicContact CB-CG1 3.71Å; Q361-I363 WeakPolarHBondContact O-CG1 3.36Å; Q361-I363 PolarHBondContact O-N 2.95Å; Q361-H364 PolarHBondContact O-N 2.63Å; Q361-I757 HydrophobicContact CB-CD1 4.47Å; Q361-I757 HydrophobicContact CG-CG1 4.35Å; Q361-I817 WeakPolarHBondContact CA-O 3.1Å; Q361-I817 WeakPolarHBondContact O-CG1 3.39Å; Q361-Q821 VanDerWaalsContact NE2-N 3.14Å; Q361-Q821 PolarHBondContact NE2-O 3.34Å; Q361-W822 HydrophobicContact CB-CD2 3.6Å; Q361-W822 HydrophobicContact CB-CE3 3.51Å; Q361-W822 HydrophobicContact CB-CH2 3.03Å; Q361-W822 HydrophobicContact CB-CZ2 3.13Å; Q361-W822 HydrophobicContact CB-CZ3 3.22Å; Q361-W822 VanDerWaalsContact CD-CE3 3.43Å; Q361-W822 HydrophobicContact CG-CD2 3.27Å; Q361-W822 HydrophobicContact CG-CE3 3.65Å; Q361-W822 HydrophobicContact CG-CG 3.7Å; Q361-W822 HydrophobicContact CG-CH2 3.88Å; Q361-W822 HydrophobicContact CG-CZ2 3.53Å; Q361-W822 HydrophobicContact CG-CZ3 3.91Å; Q361-W822 VanDerWaalsContact NE2-CA 3.33Å; Q361-W822 VanDerWaalsContact OE1-CG 3.27Å | ||
| 362 | M | 82.5 | Confident | 85.3 | Confident | 30 Ų | 30 | 12.2 Ų | 12.2 | 15% | 0.148 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 50.6 | 171.8 | -71.7 | -62.9 | -56.3 | 0 | 0 | 111 | V392 E422 I423 I817 I904 | M362-V392 HydrophobicContact CE-CG1 3.87Å; M362-V392 HydrophobicContact SD-CG1 3.85Å; M362-V392 HydrophobicContact SD-CG2 4.31Å; M362-E422 WeakPolarHBondContact CE-O 3.44Å; M362-I423 HydrophobicContact CG-CG1 4.49Å; M362-I817 HydrophobicContact CB-CG2 4.39Å; M362-I817 HydrophobicContact CG-CG2 3.64Å; M362-I817 HydrophobicContact SD-CG2 3.33Å; M362-I817 WeakPolarHBondContact SD-CG2 3.14Å; M362-I904 WeakPolarHBondContact O-CD1 3.16Å; M362-I904 WeakPolarHBondContact O-CG1 3.24Å |
| 363 | I | 82.5 | Confident | 85 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -147.5 | -11.8 | -180 | 44.8 | 158.7 | 0 | 0 | 0 | 114.1 | Q361 T755 I757 W822 F888 R889 I904 | Q361-I363 HydrophobicContact CB-CD1 4.27Å; Q361-I363 HydrophobicContact CB-CG1 3.71Å; Q361-I363 WeakPolarHBondContact O-CG1 3.36Å; Q361-I363 PolarHBondContact O-N 2.95Å; I363-T755 WeakPolarHBondContact CD1-O 3.44Å; I363-I757 HydrophobicContact CD1-CD1 3.63Å; I363-I757 HydrophobicContact CG1-CD1 4.33Å; I363-W822 HydrophobicContact CB-CH2 4.27Å; I363-W822 HydrophobicContact CB-CZ3 4.05Å; I363-W822 HydrophobicContact CD1-CE3 3.98Å; I363-W822 HydrophobicContact CD1-CH2 4.31Å; I363-W822 HydrophobicContact CD1-CZ3 3.39Å; I363-W822 HydrophobicContact CG1-CE3 4.34Å; I363-W822 HydrophobicContact CG1-CH2 3.78Å; I363-W822 HydrophobicContact CG1-CZ3 3.36Å; I363-W822 HydrophobicContact CG2-CH2 3.62Å; I363-W822 HydrophobicContact CG2-CZ3 3.51Å; I363-F888 VanDerWaalsContact CB-C 3.41Å; I363-F888 VanDerWaalsContact CB-O 3.32Å; I363-F888 WeakPolarHBondContact CB-O 3.13Å; I363-F888 WeakPolarHBondContact CG2-O 2.89Å; I363-R889 HydrophobicContact CG2-CB 3.26Å; I363-R889 HydrophobicContact CG2-CG 3.88Å; I363-R889 VanDerWaalsContact CG2-N 3.34Å; I363-I904 VanDerWaalsContact CA-CG1 3.49Å; I363-I904 VanDerWaalsContact N-CD1 3.25Å; I363-I904 WeakPolarHBondContact O-CA 3.13Å; I363-I904 WeakPolarHBondContact O-CG2 3.47Å |
| 364 | H | 86.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -107.1 | 33.9 | -176.8 | -70.1 | -152.5 | 0 | 0 | 0 | 111.5 | I357 V360 Q361 G366 I757 I813 H887 L908 | I357-H364 VanDerWaalsContact CD1-CE1 3.45Å; I357-H364 WeakPolarHBondContact CD1-CE1 3.49Å; I357-H364 WeakPolarHBondContact CD1-ND1 3.14Å; V360-H364 HydrophobicContact CG1-CB 3.3Å; V360-H364 WeakPolarHBondContact CG1-ND1 3.39Å; V360-H364 HydrophobicContact CG2-CB 4.42Å; V360-H364 WeakPolarHBondContact CG2-ND1 3.44Å; Q361-H364 PolarHBondContact O-N 2.63Å; H364-G366 PolarHBondContact O-N 3.27Å; H364-I757 WeakPolarHBondContact CE1-CD1 3.11Å; H364-I757 PolarHBondContact CE1-O 3.02Å; H364-I757 WeakPolarHBondContact NE2-CD1 3.12Å; H364-I813 HydrophobicContact CB-CG2 3.94Å; H364-H887 WeakPolarHBondContact CA-CD2 3.47Å; H364-H887 HydrophobicContact CB-CB 4.22Å; H364-H887 VanDerWaalsContact CB-CD2 3.5Å; H364-H887 WeakPolarHBondContact CB-CD2 3.15Å; H364-H887 WeakPolarHBondContact CD2-CB 3.33Å; H364-H887 AromaticContact CD2-CG 3.34Å; H364-H887 AromaticContact CD2-ND1 3.55Å; H364-H887 AromaticContact CE1-CE1 3.89Å; H364-H887 AromaticContact CE1-CG 3.71Å; H364-H887 AromaticContact CE1-ND1 3.09Å; H364-H887 PolarHBondContact CE1-ND1 2.88Å; H364-H887 AromaticContact CG-CD2 3.67Å; H364-H887 AromaticContact CG-CE1 3.62Å; H364-H887 AromaticContact CG-CG 3.22Å; H364-H887 AromaticContact CG-ND1 3.16Å; H364-H887 AromaticContact CG-NE2 3.91Å; H364-H887 AromaticContact ND1-CE1 3.25Å; H364-H887 PolarHBondContact ND1-CE1 3.18Å; H364-H887 VanDerWaalsContact ND1-CE1 3.25Å; H364-H887 AromaticContact ND1-CG 3.47Å; H364-H887 AromaticContact ND1-ND1 2.84Å; H364-H887 PolarHBondContact ND1-ND1 2.73Å; H364-H887 AromaticContact ND1-NE2 3.99Å; H364-H887 VanDerWaalsContact NE2-CA 3.33Å; H364-H887 WeakPolarHBondContact NE2-CA 3.19Å; H364-H887 WeakPolarHBondContact NE2-CB 3.01Å; H364-H887 AromaticContact NE2-CG 3.65Å; H364-H887 PolarHBondContact NE2-N 3.06Å; H364-H887 AromaticContact NE2-ND1 3.51Å; H364-H887 PolarHBondContact NE2-O 2.86Å; H364-L908 VanDerWaalsContact O-CD1 3.24Å; H364-L908 WeakPolarHBondContact O-CD1 3.09Å; H364-L908 WeakPolarHBondContact O-CD2 3.18Å; H364-L908 WeakPolarHBondContact O-CG 3.37Å | ||
| 365 | H | 86.6 | Confident | 82.6 | Confident | 58 Ų | 58 | 18.7 Ų | 18.7 | 27% | 0.269 | 9% | 0.091 | S | C | . | . | trans | -44.4 | 100.1 | 133.4 | -114.3 | 88.3 | 0 | 0 | 0 | 105.1 | F318 I904 K907 L908 | F318-H365 WeakPolarHBondContact CD2-O 3.08Å; F318-H365 WeakPolarHBondContact CE2-O 3.48Å; H365-I904 HydrophobicContact CB-CB 4.19Å; H365-I904 HydrophobicContact CB-CD1 3.72Å; H365-I904 HydrophobicContact CB-CG1 4.25Å; H365-I904 HydrophobicContact CB-CG2 3.2Å; H365-I904 WeakPolarHBondContact O-CG2 3.28Å; H365-K907 HydrophobicContact CB-CB 4.42Å; H365-K907 HydrophobicContact CB-CG 4.18Å; H365-K907 VanDerWaalsContact O-CA 3.3Å; H365-K907 WeakPolarHBondContact O-CA 3.2Å; H365-K907 PolarHBondContact O-N 3.3Å; H365-L908 VanDerWaalsContact CA-N 3.25Å; H365-L908 HydrophobicContact CB-CB 4.33Å; H365-L908 HydrophobicContact CB-CD1 3.83Å; H365-L908 HydrophobicContact CB-CG 4.27Å; H365-L908 PolarHBondContact CD2-N 2.73Å; H365-L908 VanDerWaalsContact N-CD1 3.26Å; H365-L908 WeakPolarHBondContact ND1-CD1 2.83Å | ||
| 366 | G | 85.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -128.7 | 169.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | H364 Y368 V390 H887 K907 L908 S910 | H364-G366 PolarHBondContact O-N 3.27Å; G366-Y368 WeakPolarHBondContact O-CE1 3.28Å; G366-V390 VanDerWaalsContact O-CG2 3.31Å; G366-V390 WeakPolarHBondContact O-CG2 3.19Å; G366-H887 WeakPolarHBondContact CA-CD2 3.22Å; G366-H887 VanDerWaalsContact CA-NE2 3.29Å; G366-H887 WeakPolarHBondContact CA-NE2 2.96Å; G366-K907 CarbonylContact C-O 3.28Å; G366-K907 CarbonylContact O-C 3.58Å; G366-L908 CarbonylContact O-C 3.38Å; G366-L908 WeakPolarHBondContact O-CA 3.42Å; G366-L908 PolarHBondContact O-N 2.03Å; G366-S910 WeakPolarHBondContact O-CB 3.34Å; G366-S910 PolarHBondContact O-OG 3.37Å | ||
| 367 | S | 86.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -139 | 141.1 | -160.6 | -96.9 | 0 | 0 | 0 | 0 | 107.5 | P906 K907 S910 E914 L915 | S367-P906 VanDerWaalsContact CB-CA 3.49Å; S367-K907 VanDerWaalsContact CB-N 3.26Å; S367-K907 PolarHBondContact OG-N 2.96Å; S367-K907 PolarHBondContact OG-O 2.72Å; S367-S910 VanDerWaalsContact CA-OG 3.29Å; S367-S910 WeakPolarHBondContact CA-OG 2.86Å; S367-S910 WeakPolarHBondContact OG-CB 3.42Å; S367-E914 CarbonylContact C-O 3.57Å; S367-E914 WeakPolarHBondContact CA-O 3Å; S367-E914 VanDerWaalsContact CB-CG 3.4Å; S367-E914 WeakPolarHBondContact CB-O 3.44Å; S367-E914 WeakPolarHBondContact CB-OE2 3.13Å; S367-E914 CarbonylContact O-C 3.4Å; S367-E914 WeakPolarHBondContact OG-CG 3.14Å; S367-E914 PolarHBondContact OG-OE2 2.83Å; S367-L915 VanDerWaalsContact O-CA 3.24Å; S367-L915 WeakPolarHBondContact O-CA 3.49Å; S367-L915 WeakPolarHBondContact O-CB 3.29Å; S367-L915 VanDerWaalsContact O-CD2 3.23Å; S367-L915 WeakPolarHBondContact O-CD2 3.24Å; S367-L915 WeakPolarHBondContact O-CG 3.13Å; S367-L915 PolarHBondContact O-N 2.66Å | ||
| 368 | Y | 88.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -131.8 | 52.6 | -150.1 | -76.2 | 71.4 | 0 | 0 | 0 | 118.5 | I302 W316 L355 G366 C370 F388 V390 F806 Q810 I813 H887 N911 H912 E914 L915 | I302-Y368 HydrophobicContact CD1-CD2 3.72Å; I302-Y368 HydrophobicContact CD1-CE2 3.9Å; I302-Y368 HydrophobicContact CG2-CD2 3.69Å; I302-Y368 HydrophobicContact CG2-CE2 3.37Å; W316-Y368 VanDerWaalsContact CE3-C 3.41Å; W316-Y368 VanDerWaalsContact CZ3-O 3.24Å; W316-Y368 WeakPolarHBondContact CZ3-O 3.48Å; L355-Y368 HydrophobicContact CD1-CD2 4.16Å; L355-Y368 HydrophobicContact CD1-CE2 3.18Å; L355-Y368 WeakPolarHBondContact CD1-OH 3.36Å; L355-Y368 HydrophobicContact CG-CE2 4.5Å; G366-Y368 WeakPolarHBondContact O-CE1 3.28Å; Y368-C370 PolarHBondContact O-N 3.35Å; Y368-F388 HydrophobicContact CG-CB 4.47Å; Y368-V390 HydrophobicContact CD1-CG2 3.31Å; Y368-V390 HydrophobicContact CE1-CB 4.36Å; Y368-V390 HydrophobicContact CE1-CG2 2.9Å; Y368-V390 HydrophobicContact CE2-CG2 4.27Å; Y368-V390 HydrophobicContact CG-CG2 4.31Å; Y368-V390 VanDerWaalsContact CZ-CG2 3.42Å; Y368-F806 AromaticContact CD2-CE2 3.52Å; Y368-F806 HydrophobicContact CD2-CE2 3.52Å; Y368-F806 AromaticContact CD2-CZ 3.28Å; Y368-F806 HydrophobicContact CD2-CZ 3.28Å; Y368-F806 HydrophobicContact CE2-CE2 4.47Å; Y368-F806 HydrophobicContact CE2-CZ 4.17Å; Y368-F806 HydrophobicContact CG-CE2 4.14Å; Y368-F806 AromaticContact CG-CZ 3.66Å; Y368-F806 HydrophobicContact CG-CZ 3.66Å; Y368-Q810 VanDerWaalsContact CZ-OE1 3.32Å; Y368-I813 VanDerWaalsContact OH-CD1 3.32Å; Y368-I813 WeakPolarHBondContact OH-CD1 3.46Å; Y368-H887 AromaticContact CE1-NE2 3.87Å; Y368-H887 AromaticContact CZ-NE2 3.77Å; Y368-H887 PolarHBondContact OH-CE1 3.29Å; Y368-H887 PolarHBondContact OH-NE2 2.76Å; Y368-N911 PolarHBondContact N-O 2.87Å; Y368-N911 VanDerWaalsContact N-O 3.12Å; Y368-H912 WeakPolarHBondContact O-CA 2.94Å; Y368-H912 WeakPolarHBondContact O-CB 3.03Å; Y368-E914 PolarHBondContact N-O 2.87Å; Y368-L915 HydrophobicContact CD1-CG 4.27Å; Y368-L915 HydrophobicContact CD2-CD1 3.43Å; Y368-L915 VanDerWaalsContact CD2-CD1 3.43Å; Y368-L915 HydrophobicContact CD2-CG 3.77Å; Y368-L915 HydrophobicContact CE1-CD2 4.37Å; Y368-L915 HydrophobicContact CE1-CG 4.24Å; Y368-L915 HydrophobicContact CE2-CD1 3.61Å; Y368-L915 HydrophobicContact CE2-CD2 4.48Å; Y368-L915 HydrophobicContact CE2-CG 3.99Å; Y368-L915 HydrophobicContact CG-CD1 4.07Å; Y368-L915 HydrophobicContact CG-CG 3.92Å | ||
| 369 | R | 86.8 | Confident | 74.2 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | trans | -58.4 | 119.1 | 178 | -166.6 | 143.5 | -146.2 | -160.3 | 3.1 | 112.2 | W316 E317 S371 Y727 H912 N913 | W316-R369 WeakPolarHBondContact CA-O 3.44Å; W316-R369 HydrophobicContact CB-CB 4.21Å; W316-R369 WeakPolarHBondContact CB-O 3.27Å; E317-R369 HydrophobicContact CB-CB 4.08Å; E317-R369 HydrophobicContact CB-CG 4.39Å; E317-R369 IonicContact OE2-CZ 4Å; E317-R369 IonicContact OE2-NE 2.71Å; E317-R369 IonicContact OE2-NH1 2.66Å; E317-R369 PolarHBondContact OE2-NH1 2.8Å; R369-S371 WeakPolarHBondContact CG-OG 3.33Å; R369-Y727 VanDerWaalsContact CD-OH 3.27Å; R369-Y727 WeakPolarHBondContact CD-OH 3.41Å; R369-H912 VanDerWaalsContact CA-C 3.42Å; R369-H912 VanDerWaalsContact CA-O 3.31Å; R369-H912 WeakPolarHBondContact CA-O 3.48Å; R369-N913 VanDerWaalsContact CD-C 3.44Å; R369-N913 WeakPolarHBondContact CD-O 3.34Å; R369-N913 PolarHBondContact NE-OD1 2.75Å; R369-N913 PolarHBondContact NH2-OD1 2.76Å | ||
| 370 | C | 87.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -120.5 | 84.1 | 156.8 | 148.8 | 0 | 0 | 0 | 0 | 106.9 | C304 M306 I314 W316 Y368 Y385 H912 | C304-C370 HydrophobicContact CB-CB 3.39Å; C304-C370 WeakPolarHBondContact CB-SG 3.41Å; C304-C370 WeakPolarHBondContact SG-CB 3.38Å; C304-C370 CovalentContact SG-SG 2.02Å; C304-C370 PolarHBondContact SG-SG 3.37Å; M306-C370 WeakPolarHBondContact CE-O 3.37Å; I314-C370 WeakPolarHBondContact CD1-SG 3.34Å; I314-C370 HydrophobicContact CG2-CB 4Å; I314-C370 WeakPolarHBondContact CG2-SG 3.32Å; W316-C370 HydrophobicContact CD2-CB 3.83Å; W316-C370 HydrophobicContact CE3-CB 3.48Å; W316-C370 VanDerWaalsContact CE3-CB 3.48Å; W316-C370 HydrophobicContact CH2-CB 3.62Å; W316-C370 HydrophobicContact CZ2-CB 4.16Å; W316-C370 HydrophobicContact CZ3-CB 3.27Å; Y368-C370 PolarHBondContact O-N 3.35Å; C370-Y385 VanDerWaalsContact O-CA 3.29Å; C370-Y385 WeakPolarHBondContact O-CA 3.47Å; C370-Y385 WeakPolarHBondContact O-CB 3.06Å; C370-H912 WeakPolarHBondContact CB-CE1 3.31Å; C370-H912 PolarHBondContact N-CE1 3.05Å; C370-H912 PolarHBondContact N-ND1 2.9Å; C370-H912 PolarHBondContact N-O 3.1Å; C370-H912 PolarHBondContact O-CE1 2.95Å; C370-H912 PolarHBondContact O-ND1 3.45Å | ||
| 371 | S | 84.8 | Confident | 69.7 | Low | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 175.4 | 164.4 | 53.9 | 0 | 0 | 0 | 0 | 108.3 | I314 H315 R369 Y727 | I314-S371 WeakPolarHBondContact CG2-O 3.37Å; H315-S371 CarbonylContact C-O 3.54Å; H315-S371 PolarHBondContact N-O 2.84Å; H315-S371 CarbonylContact O-C 3.27Å; H315-S371 PolarHBondContact O-N 2.86Å; H315-S371 PolarHBondContact O-OG 3.18Å; R369-S371 WeakPolarHBondContact CG-OG 3.33Å; S371-Y727 VanDerWaalsContact OG-CE2 3.26Å; S371-Y727 WeakPolarHBondContact OG-CE2 3.16Å; S371-Y727 PolarHBondContact OG-OH 2.81Å |
| 372 | G | 78.2 | Confident | 68.2 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 178 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | L798 | G372-L798 VanDerWaalsContact CA-CD2 3.5Å |
| 373 | I | 72.6 | Confident | 67.4 | Low | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 99.2 | -146.8 | -54.1 | -168.8 | 0 | 0 | 0 | 109.1 | K313 H315 Y727 P794 L798 | K313-I373 WeakPolarHBondContact CA-O 2.98Å; K313-I373 WeakPolarHBondContact CB-O 3.39Å; K313-I373 HydrophobicContact CD-CB 4.17Å; K313-I373 HydrophobicContact CD-CG2 4.4Å; K313-I373 HydrophobicContact CG-CB 4.3Å; K313-I373 PolarHBondContact N-O 2.91Å; K313-I373 CarbonylContact O-C 3.59Å; K313-I373 PolarHBondContact O-N 3.46Å; K313-I373 VanDerWaalsContact O-O 3.09Å; H315-I373 HydrophobicContact CB-CD1 3.63Å; H315-I373 HydrophobicContact CB-CG1 3.99Å; H315-I373 VanDerWaalsContact ND1-CD1 3.35Å; H315-I373 WeakPolarHBondContact ND1-CD1 3.33Å; I373-Y727 HydrophobicContact CD1-CD2 3.84Å; I373-Y727 HydrophobicContact CD1-CE2 4.48Å; I373-Y727 HydrophobicContact CD1-CG 4.26Å; I373-P794 CarbonylContact C-O 3.27Å; I373-P794 WeakPolarHBondContact CA-O 3.47Å; I373-P794 HydrophobicContact CB-CB 4.5Å; I373-P794 HydrophobicContact CG2-CB 3.79Å; I373-P794 HydrophobicContact CG2-CG 4.43Å; I373-L798 VanDerWaalsContact N-CD1 3.3Å |
| 374 | N | 63.8 | Low | 67 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -63.3 | -140.5 | 157.4 | -66.3 | 59.4 | 0 | 0 | 0 | 110 | P310 P312 N793 P794 K795 N796 N797 | P310-N374 WeakPolarHBondContact CD-ND2 3.36Å; P312-N374 HydrophobicContact CG-CB 4.23Å; N374-N793 CarbonylContact C-O 3.39Å; N374-N793 WeakPolarHBondContact CB-O 3.02Å; N374-P794 VanDerWaalsContact C-CA 3.42Å; N374-P794 VanDerWaalsContact CA-CA 3.5Å; N374-P794 VanDerWaalsContact CB-CA 3.47Å; N374-P794 VanDerWaalsContact N-CA 3.28Å; N374-P794 PolarHBondContact N-O 3.4Å; N374-K795 PolarHBondContact ND2-O 2.88Å; N374-K795 VanDerWaalsContact OD1-CA 3.32Å; N374-K795 WeakPolarHBondContact OD1-CA 3.36Å; N374-K795 PolarHBondContact OD1-O 2.89Å; N374-N796 PolarHBondContact OD1-N 3.16Å; N374-N796 VanDerWaalsContact OD1-N 3.07Å; N374-N797 VanDerWaalsContact CG-O 3.29Å; N374-N797 PolarHBondContact ND2-N 3.46Å; N374-N797 PolarHBondContact ND2-OD1 2.72Å; N374-N797 PolarHBondContact OD1-N 3.28Å; N374-N797 PolarHBondContact OD1-O 3.25Å | ||
| 375 | L | 55.4 | Low | 66.8 | Low | 107 Ų | 107 | 58.8 Ų | 58.8 | 56% | 0.56 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -139.5 | 3.7 | -178.7 | -72.8 | 173.8 | 0 | 0 | 0 | 118.6 | P312 L730 N793 | P312-L375 HydrophobicContact CB-CD1 3.96Å; P312-L375 HydrophobicContact CB-CG 3.82Å; P312-L375 HydrophobicContact CG-CB 4.15Å; P312-L375 HydrophobicContact CG-CD1 3.76Å; P312-L375 HydrophobicContact CG-CG 3.71Å; L375-L730 HydrophobicContact CD2-CD1 4.31Å; L375-L730 HydrophobicContact CD2-CD2 3.95Å; L375-N793 PolarHBondContact N-O 3.01Å |
| 376 | D | 52.3 | Low | 66.8 | Low | 74 Ų | 74 | 57.4 Ų | 57.4 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -142.9 | 8.8 | -149.7 | -163.4 | 5 | 0 | 0 | 0 | 121.2 | N791 L792 N793 | D376-N791 WeakPolarHBondContact O-CA 3.31Å; D376-N791 WeakPolarHBondContact OD1-CA 3.17Å; D376-N791 PolarHBondContact OD1-N 3.3Å; D376-L792 VanDerWaalsContact CB-C 3.43Å; D376-L792 PolarHBondContact O-N 3.23Å; D376-L792 PolarHBondContact OD1-N 2.85Å; D376-L792 WeakPolarHBondContact OD2-CA 3.19Å; D376-L792 VanDerWaalsContact OD2-CB 3.25Å; D376-L792 WeakPolarHBondContact OD2-CB 3.46Å; D376-L792 PolarHBondContact OD2-N 3.38Å; D376-L792 VanDerWaalsContact OD2-N 3.11Å; D376-N793 WeakPolarHBondContact CA-O 3.31Å; D376-N793 VanDerWaalsContact CB-N 3.34Å; D376-N793 WeakPolarHBondContact CB-O 3.17Å; D376-N793 PolarHBondContact N-O 2.87Å; D376-N793 PolarHBondContact O-N 3.28Å |
| 377 | Y | 47.9 | Very low | 66.8 | Low | 101 Ų | 101 | 61.9 Ų | 61.9 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | trans | -139.6 | 106.8 | 162.5 | -56.3 | 164.4 | 0 | 0 | 0 | 109.9 | I379 N793 P794 | Y377-I379 PolarHBondContact O-N 3.1Å; Y377-N793 HydrophobicContact CD1-CB 3.54Å; Y377-N793 WeakPolarHBondContact CD1-OD1 3.17Å; Y377-N793 HydrophobicContact CD2-CB 3.87Å; Y377-N793 HydrophobicContact CE1-CB 3.68Å; Y377-N793 VanDerWaalsContact CE1-CG 3.41Å; Y377-N793 WeakPolarHBondContact CE1-ND2 3.41Å; Y377-N793 HydrophobicContact CE2-CB 4.01Å; Y377-N793 HydrophobicContact CG-CB 3.59Å; Y377-P794 VanDerWaalsContact C-CD 3.45Å; Y377-P794 WeakPolarHBondContact O-CD 2.95Å | ||
| 378 | M | 33.4 | Very low | 67 | Low | 192 Ų | 192 | 61.9 Ų | 61.9 | 95% | 0.946 | 31% | 0.313 | S | S | * | . | trans | -78.1 | 64.6 | -175.6 | -69.5 | 169.4 | 49.1 | 0 | 0 | 116.1 | ||||
| 379 | I | 40.2 | Very low | 67.1 | Low | 114 Ų | 114 | 63.3 Ų | 63.3 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | trans | -137.4 | 109.5 | -179.3 | -51.2 | 178.5 | 0 | 0 | 0 | 112.5 | Y377 I381 K795 | Y377-I379 PolarHBondContact O-N 3.1Å; I379-I381 PolarHBondContact O-N 3.24Å; I379-K795 WeakPolarHBondContact O-CE 3.3Å | ||
| 380 | P | 36.1 | Very low | 67.2 | Low | 87 Ų | 87 | 60.8 Ų | 60.8 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | trans | -93.1 | 89.9 | -174.8 | 35 | -34.1 | 0 | 0 | 0 | 114.2 | ||||
| 381 | I | 39.3 | Very low | 67.3 | Low | 124 Ų | 124 | 61.8 Ų | 61.8 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -139.6 | 138.5 | 166.5 | -49.7 | 177.2 | 0 | 0 | 0 | 109 | I379 D383 K795 | I379-I381 PolarHBondContact O-N 3.24Å; I381-D383 PolarHBondContact O-N 2.84Å; I381-K795 WeakPolarHBondContact O-CE 3.13Å; I381-K795 PolarHBondContact O-NZ 2.96Å |
| 382 | D | 55.8 | Low | 67.5 | Low | 121 Ų | 121 | 61.9 Ų | 61.9 | 65% | 0.647 | 32% | 0.317 | S | S | * | . | trans | 48.6 | 55.8 | 178.4 | -65.8 | -4.5 | 0 | 0 | 0 | 115.8 | ||||
| 383 | D | 64.1 | Low | 68.1 | Low | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | trans | -78.9 | 123.9 | 156.6 | -70.6 | -45.7 | 0 | 0 | 0 | 109.5 | I381 Y385 K795 | I381-D383 PolarHBondContact O-N 2.84Å; D383-Y385 WeakPolarHBondContact O-CD1 3.34Å; D383-K795 WeakPolarHBondContact OD1-CD 3.22Å; D383-K795 WeakPolarHBondContact OD1-CG 3.28Å; D383-K795 IonicContact OD1-NZ 2.7Å; D383-K795 PolarHBondContact OD1-NZ 2.97Å; D383-K795 IonicContact OD2-NZ 2.77Å; D383-K795 PolarHBondContact OD2-NZ 3.28Å | ||
| 384 | P | 74.8 | Confident | 68.8 | Low | 28 Ų | 28 | 60.6 Ų | 60.6 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -61.6 | 141.7 | 171.7 | 25.7 | -34 | 0 | 0 | 0 | 111.4 | I282 I284 M306 | I282-P384 HydrophobicContact CB-CG 3.62Å; I282-P384 HydrophobicContact CD1-CG 3.88Å; I282-P384 HydrophobicContact CG1-CG 3.64Å; I284-P384 HydrophobicContact CD1-CB 4.14Å; I284-P384 HydrophobicContact CG1-CB 4.02Å; M306-P384 VanDerWaalsContact CE-C 3.45Å; M306-P384 HydrophobicContact CE-CB 4.16Å; M306-P384 VanDerWaalsContact CE-O 3.24Å; M306-P384 WeakPolarHBondContact CE-O 3.42Å; M306-P384 HydrophobicContact SD-CB 3.56Å; M306-P384 VanDerWaalsContact SD-CB 3.56Å; M306-P384 HydrophobicContact SD-CG 3.53Å; M306-P384 VanDerWaalsContact SD-CG 3.53Å | ||
| 385 | Y | 82.4 | Confident | 69.7 | Low | 100 Ų | 100 | 62.7 Ų | 62.7 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -155.1 | 170.7 | 175.5 | 73.6 | -94.9 | 0 | 0 | 0 | 103.9 | C370 D383 H912 N913 | C370-Y385 VanDerWaalsContact O-CA 3.29Å; C370-Y385 WeakPolarHBondContact O-CA 3.47Å; C370-Y385 WeakPolarHBondContact O-CB 3.06Å; D383-Y385 WeakPolarHBondContact O-CD1 3.34Å; Y385-H912 WeakPolarHBondContact CB-O 3.37Å; Y385-H912 VanDerWaalsContact CD2-O 3.27Å; Y385-H912 WeakPolarHBondContact CD2-O 3.16Å; Y385-N913 VanDerWaalsContact CD1-OD1 3.28Å; Y385-N913 WeakPolarHBondContact CD1-OD1 3.11Å; Y385-N913 HydrophobicContact CD2-CB 4.38Å; Y385-N913 WeakPolarHBondContact CD2-ND2 3.5Å; Y385-N913 WeakPolarHBondContact CD2-OD1 3.33Å; Y385-N913 VanDerWaalsContact CE2-CG 3.48Å; Y385-N913 WeakPolarHBondContact CE2-ND2 3.22Å | ||
| 386 | V | 86.7 | Confident | 71.3 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 17% | 0.17 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | -149.6 | 179.8 | -154.1 | 0 | 0 | 0 | 0 | 111.9 | I284 H287 M306 H912 | I284-V386 HydrophobicContact CB-CG2 4.45Å; I284-V386 HydrophobicContact CD1-CG2 3.83Å; I284-V386 HydrophobicContact CG1-CG2 3.88Å; I284-V386 HydrophobicContact CG2-CG2 4.12Å; H287-V386 HydrophobicContact CB-CB 4.15Å; H287-V386 HydrophobicContact CB-CG1 4.36Å; H287-V386 HydrophobicContact CB-CG2 3.66Å; M306-V386 HydrophobicContact CE-CG2 4.5Å; V386-H912 WeakPolarHBondContact CA-CD2 3.24Å; V386-H912 VanDerWaalsContact CA-CG 3.48Å; V386-H912 WeakPolarHBondContact CB-CD2 2.97Å; V386-H912 VanDerWaalsContact CB-NE2 3.35Å; V386-H912 WeakPolarHBondContact CB-NE2 3.45Å; V386-H912 WeakPolarHBondContact CG2-NE2 3.37Å; V386-H912 PolarHBondContact N-CD2 3.49Å; V386-H912 PolarHBondContact N-CE1 3.41Å; V386-H912 PolarHBondContact N-ND1 2.72Å; V386-H912 PolarHBondContact N-NE2 3.17Å; V386-H912 VanDerWaalsContact N-NE2 3.15Å; V386-H912 CarbonylContact O-C 3.5Å; V386-H912 VanDerWaalsContact O-C 3.27Å; V386-H912 WeakPolarHBondContact O-CA 3.36Å; V386-H912 WeakPolarHBondContact O-CB 3.38Å; V386-H912 VanDerWaalsContact O-CG 3.24Å; V386-H912 PolarHBondContact O-N 3.04Å |
| 387 | I | 86.3 | Confident | 73 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.5 | -179.1 | 48 | 166.8 | 0 | 0 | 0 | 111.3 | S290 | S290-I387 WeakPolarHBondContact CB-O 3.21Å; S290-I387 PolarHBondContact OG-O 3.29Å |
| 388 | F | 90.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -154.9 | 115.6 | -168 | -77.3 | -26.4 | 0 | 0 | 0 | 117.5 | H287 S288 C304 W316 Y368 F806 S910 H912 | H287-F388 HydrophobicContact CB-CE1 4.36Å; H287-F388 HydrophobicContact CB-CZ 4.02Å; H287-F388 WeakPolarHBondContact O-CE1 3.37Å; S288-F388 VanDerWaalsContact CB-CE1 3.48Å; C304-F388 HydrophobicContact CB-CE2 3.98Å; W316-F388 HydrophobicContact CH2-CE2 4.4Å; W316-F388 HydrophobicContact CZ3-CD2 4.07Å; W316-F388 HydrophobicContact CZ3-CE2 4.18Å; Y368-F388 HydrophobicContact CG-CB 4.47Å; F388-F806 HydrophobicContact CB-CD1 4.4Å; F388-F806 HydrophobicContact CB-CE1 3.43Å; F388-F806 VanDerWaalsContact CB-CE1 3.43Å; F388-F806 HydrophobicContact CB-CE2 4Å; F388-F806 HydrophobicContact CB-CZ 3.27Å; F388-F806 AromaticContact CD1-CD1 3.53Å; F388-F806 HydrophobicContact CD1-CD1 3.53Å; F388-F806 HydrophobicContact CD1-CD2 4.37Å; F388-F806 AromaticContact CD1-CE1 3.4Å; F388-F806 HydrophobicContact CD1-CE1 3.4Å; F388-F806 HydrophobicContact CD1-CE2 4.31Å; F388-F806 HydrophobicContact CD1-CG 4.09Å; F388-F806 AromaticContact CD1-CZ 3.92Å; F388-F806 HydrophobicContact CD1-CZ 3.92Å; F388-F806 AromaticContact CD2-CD1 3.88Å; F388-F806 HydrophobicContact CD2-CD1 3.88Å; F388-F806 AromaticContact CD2-CD2 3.28Å; F388-F806 HydrophobicContact CD2-CD2 3.28Å; F388-F806 AromaticContact CD2-CE1 3.53Å; F388-F806 HydrophobicContact CD2-CE1 3.53Å; F388-F806 AromaticContact CD2-CE2 2.91Å; F388-F806 HydrophobicContact CD2-CE2 2.91Å; F388-F806 AromaticContact CD2-CG 3.83Å; F388-F806 HydrophobicContact CD2-CG 3.83Å; F388-F806 AromaticContact CD2-CZ 3.14Å; F388-F806 HydrophobicContact CD2-CZ 3.14Å; F388-F806 HydrophobicContact CE1-CB 4.42Å; F388-F806 AromaticContact CE1-CD1 3.62Å; F388-F806 HydrophobicContact CE1-CD1 3.62Å; F388-F806 HydrophobicContact CE1-CD2 4.23Å; F388-F806 AromaticContact CE1-CE1 3.99Å; F388-F806 HydrophobicContact CE1-CE1 3.99Å; F388-F806 AromaticContact CE1-CG 3.82Å; F388-F806 HydrophobicContact CE1-CG 3.82Å; F388-F806 HydrophobicContact CE2-CB 4.27Å; F388-F806 AromaticContact CE2-CD1 3.91Å; F388-F806 HydrophobicContact CE2-CD1 3.91Å; F388-F806 AromaticContact CE2-CD2 3.02Å; F388-F806 HydrophobicContact CE2-CD2 3.02Å; F388-F806 HydrophobicContact CE2-CE1 4.05Å; F388-F806 AromaticContact CE2-CE2 3.25Å; F388-F806 HydrophobicContact CE2-CE2 3.25Å; F388-F806 AromaticContact CE2-CG 3.47Å; F388-F806 HydrophobicContact CE2-CG 3.47Å; F388-F806 VanDerWaalsContact CE2-CG 3.47Å; F388-F806 AromaticContact CE2-CZ 3.84Å; F388-F806 HydrophobicContact CE2-CZ 3.84Å; F388-F806 AromaticContact CG-CD1 3.71Å; F388-F806 HydrophobicContact CG-CD1 3.71Å; F388-F806 AromaticContact CG-CD2 3.99Å; F388-F806 HydrophobicContact CG-CD2 3.99Å; F388-F806 AromaticContact CG-CE1 3.18Å; F388-F806 HydrophobicContact CG-CE1 3.18Å; F388-F806 AromaticContact CG-CE2 3.54Å; F388-F806 HydrophobicContact CG-CE2 3.54Å; F388-F806 HydrophobicContact CG-CG 4.14Å; F388-F806 AromaticContact CG-CZ 3.19Å; F388-F806 HydrophobicContact CG-CZ 3.19Å; F388-F806 HydrophobicContact CZ-CB 3.96Å; F388-F806 AromaticContact CZ-CD1 3.8Å; F388-F806 HydrophobicContact CZ-CD1 3.8Å; F388-F806 AromaticContact CZ-CD2 3.57Å; F388-F806 HydrophobicContact CZ-CD2 3.57Å; F388-F806 HydrophobicContact CZ-CE1 4.28Å; F388-F806 HydrophobicContact CZ-CE2 4.12Å; F388-F806 AromaticContact CZ-CG 3.48Å; F388-F806 HydrophobicContact CZ-CG 3.48Å; F388-F806 VanDerWaalsContact CZ-CG 3.48Å; F388-S910 CarbonylContact C-O 3.28Å; F388-S910 WeakPolarHBondContact CA-O 3.14Å; F388-S910 PolarHBondContact N-O 3.44Å; F388-S910 CarbonylContact O-C 3.57Å; F388-S910 WeakPolarHBondContact O-CB 3.3Å; F388-S910 PolarHBondContact O-OG 2.86Å; F388-H912 HydrophobicContact CB-CB 3.62Å; F388-H912 AromaticContact CD1-CD2 3.99Å; F388-H912 HydrophobicContact CD2-CB 3.39Å; F388-H912 AromaticContact CD2-CD2 2.96Å; F388-H912 WeakPolarHBondContact CD2-CD2 3.5Å; F388-H912 AromaticContact CD2-CG 3.35Å; F388-H912 AromaticContact CD2-NE2 3.8Å; F388-H912 AromaticContact CE1-CD2 3.87Å; F388-H912 HydrophobicContact CE2-CB 4.23Å; F388-H912 AromaticContact CE2-CD2 2.86Å; F388-H912 WeakPolarHBondContact CE2-CD2 3.36Å; F388-H912 AromaticContact CE2-CG 3.69Å; F388-H912 AromaticContact CE2-NE2 3.24Å; F388-H912 WeakPolarHBondContact CE2-NE2 3.48Å; F388-H912 HydrophobicContact CG-CB 3.59Å; F388-H912 AromaticContact CG-CD2 3.55Å; F388-H912 AromaticContact CG-CG 3.95Å; F388-H912 AromaticContact CZ-CD2 3.35Å; F388-H912 WeakPolarHBondContact CZ-CD2 3.2Å; F388-H912 AromaticContact CZ-NE2 3.67Å | ||
| 389 | N | 89 | Confident | 77.3 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | trans | -127.9 | 96.7 | -161 | -64 | 58.4 | 0 | 0 | 0 | 115.8 | S290 N291 Q292 Q810 L908 N909 S910 | S290-N389 CarbonylContact C-O 3.52Å; S290-N389 WeakPolarHBondContact CB-OD1 3.47Å; S290-N389 CarbonylContact O-C 3.47Å; S290-N389 VanDerWaalsContact O-CA 3.22Å; S290-N389 WeakPolarHBondContact O-CA 3.46Å; S290-N389 PolarHBondContact O-N 3.34Å; N291-N389 CarbonylContact C-O 3.59Å; N291-N389 VanDerWaalsContact C-O 3.31Å; N291-N389 WeakPolarHBondContact CA-O 3.41Å; N291-N389 HydrophobicContact CB-CB 4.36Å; N291-N389 WeakPolarHBondContact OD1-CB 3.29Å; N291-N389 PolarHBondContact OD1-ND2 3.15Å; Q292-N389 PolarHBondContact N-O 3.13Å; N389-Q810 VanDerWaalsContact N-NE2 3.15Å; N389-L908 CarbonylContact C-O 3.41Å; N389-L908 VanDerWaalsContact CA-O 3.29Å; N389-L908 WeakPolarHBondContact CA-O 2.74Å; N389-N909 HydrophobicContact CB-CB 4.3Å; N389-S910 PolarHBondContact ND2-N 2.83Å; N389-S910 VanDerWaalsContact ND2-N 3.19Å; N389-S910 PolarHBondContact OD1-O 2.86Å | ||
| 390 | V | 89.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -63 | 175.8 | 167.8 | -131 | 0 | 0 | 0 | 0 | 112.1 | Q292 L300 G366 Y368 Q810 Q814 L908 N909 | Q292-V390 CarbonylContact O-C 3.46Å; L300-V390 HydrophobicContact CD1-CG1 4.4Å; L300-V390 HydrophobicContact CD2-CG1 3.8Å; G366-V390 VanDerWaalsContact O-CG2 3.31Å; G366-V390 WeakPolarHBondContact O-CG2 3.19Å; Y368-V390 HydrophobicContact CD1-CG2 3.31Å; Y368-V390 HydrophobicContact CE1-CB 4.36Å; Y368-V390 HydrophobicContact CE1-CG2 2.9Å; Y368-V390 HydrophobicContact CE2-CG2 4.27Å; Y368-V390 HydrophobicContact CG-CG2 4.31Å; Y368-V390 VanDerWaalsContact CZ-CG2 3.42Å; V390-Q810 HydrophobicContact CG1-CG 4.3Å; V390-Q810 WeakPolarHBondContact CG1-O 3.38Å; V390-Q814 HydrophobicContact CG1-CG 3.49Å; V390-Q814 VanDerWaalsContact CG1-CG 3.49Å; V390-L908 VanDerWaalsContact C-CB 3.42Å; V390-L908 CarbonylContact C-O 3.5Å; V390-L908 WeakPolarHBondContact CA-O 3.38Å; V390-L908 HydrophobicContact CB-CB 3.74Å; V390-L908 HydrophobicContact CB-CD2 3.16Å; V390-L908 HydrophobicContact CB-CG 3.62Å; V390-L908 WeakPolarHBondContact CB-O 3.06Å; V390-L908 HydrophobicContact CG1-CD2 3.21Å; V390-L908 HydrophobicContact CG1-CG 4.23Å; V390-L908 HydrophobicContact CG2-CB 4.29Å; V390-L908 HydrophobicContact CG2-CD2 4.06Å; V390-L908 HydrophobicContact CG2-CG 4.25Å; V390-L908 VanDerWaalsContact CG2-O 3.25Å; V390-L908 WeakPolarHBondContact CG2-O 3.35Å; V390-L908 PolarHBondContact N-O 3.13Å; V390-L908 CarbonylContact O-C 3.48Å; V390-L908 WeakPolarHBondContact O-CB 3.45Å; V390-L908 VanDerWaalsContact O-O 3.05Å; V390-N909 VanDerWaalsContact O-CG 3.28Å; V390-N909 PolarHBondContact O-N 3.35Å; V390-N909 PolarHBondContact O-ND2 2.81Å; V390-N909 PolarHBondContact O-OD1 2.89Å | ||
| 391 | T | 90.3 | Very high | 81.9 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | trans | -150 | 155.6 | 161.9 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | Q292 E393 Q814 L908 N909 | Q292-T391 WeakPolarHBondContact O-CB 3.26Å; Q292-T391 PolarHBondContact O-N 2.96Å; Q292-T391 PolarHBondContact O-OG1 3.06Å; T391-E393 HydrophobicContact CG2-CG 3.92Å; T391-E393 WeakPolarHBondContact CG2-OE1 3.15Å; T391-Q814 WeakPolarHBondContact O-CG 3.48Å; T391-Q814 PolarHBondContact O-NE2 2.64Å; T391-L908 VanDerWaalsContact C-CD2 3.49Å; T391-L908 VanDerWaalsContact N-CD2 3.35Å; T391-L908 WeakPolarHBondContact O-CD2 3.2Å; T391-N909 PolarHBondContact OG1-ND2 2.69Å; T391-N909 PolarHBondContact OG1-OD1 3.21Å | ||
| 392 | V | 88.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -109.2 | 115.9 | -172.4 | 123.6 | 0 | 0 | 0 | 0 | 111 | M362 K425 I817 L908 | M362-V392 HydrophobicContact CE-CG1 3.87Å; M362-V392 HydrophobicContact SD-CG1 3.85Å; M362-V392 HydrophobicContact SD-CG2 4.31Å; V392-K425 HydrophobicContact CG1-CB 3.97Å; V392-K425 HydrophobicContact CG1-CG 3.73Å; V392-K425 WeakPolarHBondContact O-CB 3.29Å; V392-I817 HydrophobicContact CG2-CB 4.13Å; V392-I817 HydrophobicContact CG2-CD1 3.45Å; V392-I817 VanDerWaalsContact CG2-CD1 3.45Å; V392-I817 HydrophobicContact CG2-CG1 3.28Å; V392-I817 HydrophobicContact CG2-CG2 3.93Å; V392-L908 HydrophobicContact CB-CD1 3.24Å; V392-L908 HydrophobicContact CG2-CD1 3.22Å; V392-L908 VanDerWaalsContact N-CD1 3.35Å | ||
| 393 | E | 91 | Very high | 85.4 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | trans | -151 | 106.7 | -168.5 | -51.4 | -174.8 | -148.7 | 0 | 0 | 114.2 | I293 V294 L295 T391 K425 P426 R475 H476 I818 | I293-E393 WeakPolarHBondContact CG1-OE1 3.23Å; I293-E393 WeakPolarHBondContact CG2-OE1 3.21Å; V294-E393 CarbonylContact C-O 3.51Å; V294-E393 VanDerWaalsContact C-O 3.23Å; V294-E393 HydrophobicContact CG1-CB 4.13Å; V294-E393 WeakPolarHBondContact O-CB 3.33Å; L295-E393 WeakPolarHBondContact CA-O 3.42Å; L295-E393 PolarHBondContact N-O 3.25Å; L295-E393 VanDerWaalsContact N-O 3.11Å; T391-E393 HydrophobicContact CG2-CG 3.92Å; T391-E393 WeakPolarHBondContact CG2-OE1 3.15Å; E393-K425 CarbonylContact C-O 3.48Å; E393-K425 WeakPolarHBondContact CA-O 3.28Å; E393-P426 WeakPolarHBondContact OE2-CD 3.5Å; E393-R475 IonicContact OE1-CZ 2.69Å; E393-R475 IonicContact OE1-NH2 2.67Å; E393-R475 PolarHBondContact OE1-NH2 3.43Å; E393-R475 IonicContact OE2-CZ 3.31Å; E393-R475 IonicContact OE2-NE 2.81Å; E393-R475 PolarHBondContact OE2-NE 2.85Å; E393-R475 IonicContact OE2-NH2 2.73Å; E393-R475 PolarHBondContact OE2-NH2 3.01Å; E393-H476 WeakPolarHBondContact CB-NE2 3.39Å; E393-H476 IonicContact OE2-CD2 2.74Å; E393-H476 IonicContact OE2-CE1 3.33Å; E393-H476 IonicContact OE2-NE2 3.48Å; E393-H476 PolarHBondContact OE2-NE2 2.03Å; E393-I818 VanDerWaalsContact C-CD1 3.42Å; E393-I818 WeakPolarHBondContact O-CD1 3.45Å | ||
| 394 | S | 87.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 166.6 | -178.7 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | I423 T424 K425 N474 | S394-I423 WeakPolarHBondContact CB-O 3.22Å; S394-I423 PolarHBondContact OG-O 3.28Å; S394-I423 VanDerWaalsContact OG-O 3.09Å; S394-T424 VanDerWaalsContact OG-CA 3.29Å; S394-T424 WeakPolarHBondContact OG-CA 3.38Å; S394-K425 PolarHBondContact N-O 2.97Å; S394-K425 PolarHBondContact OG-N 2.83Å; S394-N474 PolarHBondContact O-ND2 2.83Å |
| 395 | K | 82.9 | Confident | 86 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 19% | 0.191 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -66.4 | 157.1 | 149.8 | -61.4 | 173.5 | -177.4 | 168.9 | 0 | 108.9 | S35 L295 L296 N297 H397 | S35-K395 PolarHBondContact OG-NZ 3.4Å; L295-K395 HydrophobicContact CD2-CD 4.48Å; L295-K395 HydrophobicContact CD2-CG 3.93Å; L296-K395 HydrophobicContact CB-CB 4.44Å; L296-K395 HydrophobicContact CB-CG 4.46Å; L296-K395 WeakPolarHBondContact O-CD 3.39Å; L296-K395 WeakPolarHBondContact O-CE 3.43Å; L296-K395 PolarHBondContact O-NZ 2.88Å; N297-K395 PolarHBondContact OD1-NZ 2.82Å; K395-H397 PolarHBondContact O-CE1 2.84Å; K395-H397 PolarHBondContact O-ND1 2.94Å |
| 396 | P | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 138 | -174.3 | -21.7 | 33.8 | 0 | 0 | 0 | 114.8 | T424 A428 L472 N474 G477 N479 | P396-T424 HydrophobicContact CB-CG2 4.44Å; P396-A428 HydrophobicContact CB-CB 3.81Å; P396-A428 HydrophobicContact CG-CB 4.14Å; P396-L472 HydrophobicContact CB-CB 3.37Å; P396-L472 HydrophobicContact CB-CD1 4.17Å; P396-L472 HydrophobicContact CB-CG 4.42Å; P396-L472 HydrophobicContact CG-CB 4.25Å; P396-N474 WeakPolarHBondContact CD-OD1 3.38Å; P396-N474 HydrophobicContact CG-CB 4.24Å; P396-G477 WeakPolarHBondContact CD-O 3.35Å; P396-G477 WeakPolarHBondContact CG-O 3.3Å; P396-N479 HydrophobicContact CB-CB 4.34Å; P396-N479 WeakPolarHBondContact O-CB 3.34Å; P396-N479 PolarHBondContact O-ND2 3.46Å |
| 397 | H | 87.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -121.7 | 134.7 | -179 | -75.6 | 59 | 0 | 0 | 0 | 112.5 | L296 K395 N420 T424 L472 | L296-H397 WeakPolarHBondContact CD2-CE1 3.34Å; L296-H397 VanDerWaalsContact CD2-NE2 3.31Å; L296-H397 WeakPolarHBondContact CD2-NE2 3.21Å; K395-H397 PolarHBondContact O-CE1 2.84Å; K395-H397 PolarHBondContact O-ND1 2.94Å; H397-N420 HydrophobicContact CB-CB 4.05Å; H397-N420 PolarHBondContact O-N 3.07Å; H397-T424 PolarHBondContact N-OG1 2.86Å; H397-T424 VanDerWaalsContact N-OG1 3.07Å; H397-T424 PolarHBondContact O-OG1 3.24Å; H397-L472 VanDerWaalsContact C-CD1 3.42Å; H397-L472 WeakPolarHBondContact O-CD1 3.48Å | ||
| 398 | F | 87.1 | Confident | 83.9 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.2 | 172.2 | -59.6 | -81 | 0 | 0 | 0 | 110.6 | S418 C470 L472 N479 I481 | F398-S418 WeakPolarHBondContact CA-O 3.47Å; F398-C470 HydrophobicContact CE1-CB 4.12Å; F398-L472 HydrophobicContact CB-CD1 4.44Å; F398-L472 HydrophobicContact CD1-CD1 3.49Å; F398-L472 VanDerWaalsContact CD1-CD1 3.49Å; F398-L472 HydrophobicContact CD1-CG 3.87Å; F398-L472 HydrophobicContact CD2-CD1 4.22Å; F398-L472 HydrophobicContact CE1-CD1 3.64Å; F398-L472 HydrophobicContact CE1-CD2 4.39Å; F398-L472 HydrophobicContact CE1-CG 3.51Å; F398-L472 HydrophobicContact CE2-CD1 4.35Å; F398-L472 HydrophobicContact CG-CD1 3.79Å; F398-L472 HydrophobicContact CZ-CD1 4.07Å; F398-L472 HydrophobicContact CZ-CG 3.96Å; F398-N479 HydrophobicContact CE2-CB 4.01Å; F398-N479 HydrophobicContact CZ-CB 4.45Å; F398-I481 HydrophobicContact CD1-CG2 4.05Å; F398-I481 HydrophobicContact CD2-CG2 4.5Å; F398-I481 HydrophobicContact CE1-CB 4.33Å; F398-I481 HydrophobicContact CE1-CG2 3.47Å; F398-I481 VanDerWaalsContact CE1-CG2 3.47Å; F398-I481 HydrophobicContact CE2-CB 3.93Å; F398-I481 HydrophobicContact CE2-CG2 3.98Å; F398-I481 HydrophobicContact CZ-CB 3.82Å; F398-I481 HydrophobicContact CZ-CG2 3.45Å; F398-I481 VanDerWaalsContact CZ-CG2 3.45Å |
| 399 | A | 86.3 | Confident | 83.1 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -40.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S418 N420 | A399-S418 PolarHBondContact N-O 3.06Å; A399-N420 HydrophobicContact CB-CB 3.99Å |
| 400 | E | 87.9 | Confident | 82.4 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.3 | 169 | -168.4 | 176 | -163.4 | 0 | 0 | 108.8 | R416 C417 S418 | E400-R416 VanDerWaalsContact CD-CB 3.42Å; E400-R416 HydrophobicContact CG-CB 4.09Å; E400-R416 WeakPolarHBondContact OE1-CD 3.26Å; E400-R416 WeakPolarHBondContact OE2-CB 3.13Å; E400-C417 WeakPolarHBondContact O-CA 3.49Å; E400-S418 WeakPolarHBondContact CB-OG 3.17Å; E400-S418 PolarHBondContact N-OG 2.87Å; E400-S418 PolarHBondContact O-N 3.5Å |
| 401 | Y | 85.2 | Confident | 82 | Confident | 125 Ų | 125 | 53 Ų | 53 | 49% | 0.49 | 27% | 0.272 | S | S | . | . | trans | -133.7 | 150.3 | -179.1 | 52.6 | -94 | 0 | 0 | 0 | 111.3 | R416 I481 | Y401-R416 CarbonylContact C-O 3.56Å; Y401-R416 VanDerWaalsContact C-O 3.27Å; Y401-I481 HydrophobicContact CD1-CD1 4.48Å; Y401-I481 HydrophobicContact CD2-CD1 4.02Å; Y401-I481 HydrophobicContact CG-CD1 3.81Å | ||
| 402 | P | 85.9 | Confident | 81.6 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | trans | -65.9 | 146.2 | 179.1 | 27.6 | -35.7 | 0 | 0 | 0 | 111 | L415 R416 W432 C470 I481 A483 | P402-L415 HydrophobicContact CB-CD2 3.78Å; P402-R416 WeakPolarHBondContact CA-O 3.32Å; P402-R416 WeakPolarHBondContact CD-O 3.43Å; P402-W432 HydrophobicContact CB-CH2 3.94Å; P402-W432 HydrophobicContact CB-CZ3 4.09Å; P402-W432 HydrophobicContact CG-CH2 3.94Å; P402-W432 HydrophobicContact CG-CZ3 3.9Å; P402-C470 HydrophobicContact CG-CB 4.34Å; P402-I481 HydrophobicContact CG-CG2 4.26Å; P402-A483 HydrophobicContact CB-CB 3.62Å; P402-A483 HydrophobicContact CG-CB 3.84Å | ||
| 403 | K | 81.8 | Confident | 81.5 | Confident | 143 Ų | 143 | 55.4 Ų | 55.4 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | trans | -111.1 | 148.4 | -178.7 | -63 | -179.3 | -178.1 | 177.8 | 0 | 110.7 | T405 | K403-T405 PolarHBondContact O-N 3.02Å; K403-T405 PolarHBondContact O-OG1 3.07Å | ||
| 404 | N | 79.6 | Confident | 81.3 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | trans | -58.6 | 127.2 | 170.1 | -64.1 | -12.2 | 0 | 0 | 0 | 108.9 | A483 Y484 | N404-A483 WeakPolarHBondContact OD1-CA 3.24Å; N404-Y484 CarbonylContact C-O 3.53Å; N404-Y484 VanDerWaalsContact CA-O 3.23Å; N404-Y484 WeakPolarHBondContact CA-O 3.45Å; N404-Y484 PolarHBondContact OD1-N 2.86Å | ||
| 405 | T | 71.7 | Confident | 81.4 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.7 | -173.8 | -42.5 | 0 | 0 | 0 | 0 | 110.8 | K403 L407 I413 Y484 H486 | K403-T405 PolarHBondContact O-N 3.02Å; K403-T405 PolarHBondContact O-OG1 3.07Å; T405-L407 HydrophobicContact CG2-CD1 4.27Å; T405-L407 HydrophobicContact CG2-CD2 4.12Å; T405-L407 HydrophobicContact CG2-CG 3.92Å; T405-I413 HydrophobicContact CG2-CD1 4.48Å; T405-Y484 PolarHBondContact N-O 2.86Å; T405-H486 PolarHBondContact O-N 2.89Å |
| 406 | I | 71.7 | Confident | 81.8 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.3 | 170.6 | -53.8 | 177.8 | 0 | 0 | 0 | 107.8 | H486 W488 | I406-H486 VanDerWaalsContact CA-O 3.32Å; I406-H486 WeakPolarHBondContact CA-O 3.34Å; I406-H486 HydrophobicContact CG1-CB 4.39Å; I406-W488 HydrophobicContact CG2-CB 4.07Å; I406-W488 HydrophobicContact CG2-CE3 4.14Å |
| 407 | L | 71.5 | Confident | 81.9 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.1 | -176.1 | -70.5 | 173.6 | 0 | 0 | 0 | 111.8 | T405 I413 L460 H486 V487 W488 | T405-L407 HydrophobicContact CG2-CD1 4.27Å; T405-L407 HydrophobicContact CG2-CD2 4.12Å; T405-L407 HydrophobicContact CG2-CG 3.92Å; L407-I413 HydrophobicContact CD1-CB 3.54Å; L407-I413 HydrophobicContact CD1-CD1 3.75Å; L407-I413 HydrophobicContact CD1-CG1 3.79Å; L407-L460 HydrophobicContact CB-CD1 4.12Å; L407-L460 HydrophobicContact CD1-CD1 3.58Å; L407-H486 PolarHBondContact N-O 3.06Å; L407-V487 CarbonylContact O-C 3.52Å; L407-V487 WeakPolarHBondContact O-CA 3.26Å; L407-W488 PolarHBondContact O-N 3.02Å |
| 408 | P | 67.3 | Low | 81.9 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | trans | -73.1 | 160.9 | 172.7 | 31.7 | -34.6 | 0 | 0 | 0 | 112.1 | S411 N489 P520 F573 | P408-S411 WeakPolarHBondContact O-CB 3.15Å; P408-S411 PolarHBondContact O-N 3.26Å; P408-N489 WeakPolarHBondContact CA-OD1 3.25Å; P408-N489 WeakPolarHBondContact CB-OD1 3.43Å; P408-P520 HydrophobicContact CG-CG 4.24Å; P408-F573 HydrophobicContact CB-CE2 4.17Å; P408-F573 HydrophobicContact CB-CZ 4.34Å | ||
| 409 | E | 74.1 | Confident | 82.1 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 153.5 | 171.8 | -73.3 | -162.8 | 118 | 0 | 0 | 112.2 | S411 V462 V487 N489 | E409-S411 PolarHBondContact O-N 2.95Å; E409-V462 HydrophobicContact CG-CG2 4.45Å; E409-V462 WeakPolarHBondContact OE1-CG2 3.28Å; E409-V462 PolarHBondContact OE1-N 2.77Å; E409-V462 VanDerWaalsContact OE1-N 3.14Å; E409-V487 HydrophobicContact CB-CG1 4.35Å; E409-V487 HydrophobicContact CG-CG1 3.63Å; E409-N489 PolarHBondContact N-OD1 2.77Å |
| 410 | N | 75.5 | Confident | 82.2 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -0.2 | -173.1 | -55.1 | -68.1 | 0 | 0 | 0 | 115.7 | L460 | N410-L460 PolarHBondContact N-O 2.93Š|
| 411 | S | 79.5 | Confident | 82 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | trans | -68.3 | 170.3 | 167.5 | 107.7 | 0 | 0 | 0 | 0 | 111.3 | P408 E409 N459 L460 | P408-S411 WeakPolarHBondContact O-CB 3.15Å; P408-S411 PolarHBondContact O-N 3.26Å; E409-S411 PolarHBondContact O-N 2.95Å; S411-N459 PolarHBondContact O-N 3.22Å; S411-L460 WeakPolarHBondContact O-CG 3.29Å; S411-L460 PolarHBondContact O-N 2.8Å | ||
| 412 | S | 82.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 44% | 0.441 | 32% | 0.321 | S | S | . | . | trans | -107.1 | 163.1 | 163.4 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | L457 | S412-L457 CarbonylContact C-O 3.43Å; S412-L457 WeakPolarHBondContact CA-O 3.33Å; S412-L457 WeakPolarHBondContact CB-O 3.38Å | ||
| 413 | I | 85.5 | Confident | 81.7 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.9 | 170.1 | -169.6 | 170.4 | 0 | 0 | 0 | 110.5 | T405 L407 L415 Y456 L457 L460 I485 | T405-I413 HydrophobicContact CG2-CD1 4.48Å; L407-I413 HydrophobicContact CD1-CB 3.54Å; L407-I413 HydrophobicContact CD1-CD1 3.75Å; L407-I413 HydrophobicContact CD1-CG1 3.79Å; I413-L415 HydrophobicContact CD1-CD2 4.06Å; I413-L415 HydrophobicContact CD1-CG 4.04Å; I413-L415 HydrophobicContact CG1-CG 4.28Å; I413-Y456 WeakPolarHBondContact O-CA 3.46Å; I413-L457 HydrophobicContact CG2-CB 3.79Å; I413-L457 HydrophobicContact CG2-CD2 4.42Å; I413-L457 HydrophobicContact CG2-CG 4.42Å; I413-L457 PolarHBondContact N-O 2.97Å; I413-L457 PolarHBondContact O-N 3.06Å; I413-L460 HydrophobicContact CB-CD1 4.21Å; I413-L460 HydrophobicContact CG2-CD1 4.18Å; I413-L460 HydrophobicContact CG2-CD2 4.29Å; I413-I485 HydrophobicContact CD1-CD1 3.26Å; I413-I485 HydrophobicContact CD1-CG1 3.87Å; I413-I485 HydrophobicContact CD1-CG2 4.28Å |
| 414 | V | 88.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 89.3 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | R416 V454 Y456 | V414-R416 HydrophobicContact CG1-CG 4.18Å; V414-R416 PolarHBondContact O-N 2.96Å; V414-V454 HydrophobicContact CG1-CG1 3.34Å; V414-Y456 HydrophobicContact CB-CD1 4.42Å; V414-Y456 HydrophobicContact CB-CE1 4.48Å; V414-Y456 HydrophobicContact CG1-CD1 4.01Å; V414-Y456 HydrophobicContact CG1-CE1 3.7Å; V414-Y456 HydrophobicContact CG2-CD1 3.79Å; V414-Y456 HydrophobicContact CG2-CE1 3.97Å |
| 415 | L | 89.2 | Confident | 82 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 100.3 | 177 | -79 | 169.3 | 0 | 0 | 0 | 109.4 | P402 I413 W432 L455 F468 I485 | P402-L415 HydrophobicContact CB-CD2 3.78Å; I413-L415 HydrophobicContact CD1-CD2 4.06Å; I413-L415 HydrophobicContact CD1-CG 4.04Å; I413-L415 HydrophobicContact CG1-CG 4.28Å; L415-W432 HydrophobicContact CB-CH2 3.75Å; L415-W432 HydrophobicContact CB-CZ2 4.28Å; L415-W432 HydrophobicContact CB-CZ3 4.15Å; L415-W432 VanDerWaalsContact O-CZ2 3.25Å; L415-W432 WeakPolarHBondContact O-CZ2 3.46Å; L415-L455 HydrophobicContact CB-CB 4.03Å; L415-L455 HydrophobicContact CB-CG 4.38Å; L415-L455 WeakPolarHBondContact CB-O 3.39Å; L415-L455 HydrophobicContact CD1-CD2 3.9Å; L415-L455 HydrophobicContact CD1-CG 4.29Å; L415-L455 PolarHBondContact N-O 2.75Å; L415-L455 PolarHBondContact O-N 3.47Å; L415-F468 HydrophobicContact CD1-CB 3.92Å; L415-F468 HydrophobicContact CD1-CD1 3.36Å; L415-F468 HydrophobicContact CD1-CD2 4.14Å; L415-F468 HydrophobicContact CD1-CE1 3.84Å; L415-F468 HydrophobicContact CD1-CG 3.52Å; L415-F468 HydrophobicContact CD1-CZ 4.41Å; L415-I485 HydrophobicContact CD1-CG1 4.46Å; L415-I485 HydrophobicContact CD2-CD1 3.98Å; L415-I485 HydrophobicContact CD2-CG1 4.23Å |
| 416 | R | 89.6 | Confident | 82.8 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -85 | 135.9 | 178.1 | -63 | 177.6 | 173.3 | -90.7 | -3.1 | 110.9 | E400 Y401 P402 V414 V454 | E400-R416 VanDerWaalsContact CD-CB 3.42Å; E400-R416 HydrophobicContact CG-CB 4.09Å; E400-R416 WeakPolarHBondContact OE1-CD 3.26Å; E400-R416 WeakPolarHBondContact OE2-CB 3.13Å; Y401-R416 CarbonylContact C-O 3.56Å; Y401-R416 VanDerWaalsContact C-O 3.27Å; P402-R416 WeakPolarHBondContact CA-O 3.32Å; P402-R416 WeakPolarHBondContact CD-O 3.43Å; V414-R416 HydrophobicContact CG1-CG 4.18Å; V414-R416 PolarHBondContact O-N 2.96Å; R416-V454 HydrophobicContact CG-CG1 4.06Å; R416-V454 HydrophobicContact CG-CG2 4.19Å | ||
| 417 | C | 90.5 | Very high | 83.4 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | trans | -148.7 | 133.9 | 166.4 | -173.1 | 0 | 0 | 0 | 0 | 107 | E400 L430 W432 N453 C470 | E400-C417 WeakPolarHBondContact O-CA 3.49Å; C417-L430 HydrophobicContact CB-CD1 3.94Å; C417-W432 HydrophobicContact CB-CH2 3.62Å; C417-W432 HydrophobicContact CB-CZ2 3.34Å; C417-N453 WeakPolarHBondContact O-CB 3.47Å; C417-C470 HydrophobicContact CB-CB 3.76Å; C417-C470 WeakPolarHBondContact CB-SG 3.38Å; C417-C470 WeakPolarHBondContact SG-CB 3.13Å; C417-C470 CovalentContact SG-SG 2.03Å; C417-C470 PolarHBondContact SG-SG 2.78Å | ||
| 418 | S | 89.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.8 | -178.9 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | F398 A399 E400 | F398-S418 WeakPolarHBondContact CA-O 3.47Å; A399-S418 PolarHBondContact N-O 3.06Å; E400-S418 WeakPolarHBondContact CB-OG 3.17Å; E400-S418 PolarHBondContact N-OG 2.87Å; E400-S418 PolarHBondContact O-N 3.5Å |
| 419 | I | 89.4 | Confident | 85.3 | Confident | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.9 | -175.1 | -42.2 | -170.6 | 0 | 0 | 0 | 107.7 | E421 T424 A428 L430 L472 | I419-E421 VanDerWaalsContact C-N 3.26Å; I419-E421 HydrophobicContact CB-CG 4.32Å; I419-E421 PolarHBondContact O-N 2.97Å; I419-T424 HydrophobicContact CG2-CG2 3.74Å; I419-A428 HydrophobicContact CD1-CB 4.3Å; I419-A428 WeakPolarHBondContact CD1-O 3.49Å; I419-A428 HydrophobicContact CG2-CB 4.23Å; I419-L430 HydrophobicContact CD1-CB 4.14Å; I419-L430 HydrophobicContact CG1-CB 4.46Å; I419-L430 HydrophobicContact CG1-CD1 4.2Å; I419-L472 HydrophobicContact CD1-CD2 4.11Å; I419-L472 HydrophobicContact CG1-CD2 3.79Å |
| 420 | N | 89.7 | Confident | 86.1 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | trans | -73.5 | 86.9 | 166.6 | -177.9 | -38.8 | 0 | 0 | 0 | 107.7 | H397 A399 E422 I423 T424 | H397-N420 HydrophobicContact CB-CB 4.05Å; H397-N420 PolarHBondContact O-N 3.07Å; A399-N420 HydrophobicContact CB-CB 3.99Å; N420-E422 PolarHBondContact O-N 3.45Å; N420-E422 WeakPolarHBondContact OD1-CB 3.45Å; N420-E422 PolarHBondContact OD1-N 2.94Å; N420-I423 PolarHBondContact O-N 3.11Å; N420-I423 PolarHBondContact OD1-N 2.87Å; N420-T424 WeakPolarHBondContact O-CA 3.27Å; N420-T424 WeakPolarHBondContact O-CB 3.44Å; N420-T424 PolarHBondContact O-N 3.04Å; N420-T424 PolarHBondContact O-OG1 2.95Å | ||
| 421 | E | 83.9 | Confident | 86.7 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.4 | -176.2 | -68.2 | -171.9 | -168.5 | 0 | 0 | 113.9 | I419 K425 | I419-E421 VanDerWaalsContact C-N 3.26Å; I419-E421 HydrophobicContact CB-CG 4.32Å; I419-E421 PolarHBondContact O-N 2.97Å; E421-K425 VanDerWaalsContact O-CE 3.31Å; E421-K425 WeakPolarHBondContact O-CE 3.44Å; E421-K425 PolarHBondContact O-NZ 3.09Å |
| 422 | E | 81.8 | Confident | 87.2 | Confident | 146 Ų | 146 | 51.9 Ų | 51.9 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -56.2 | 173.3 | -177.3 | -177.2 | 174.2 | 0 | 0 | 109.7 | M362 N420 K425 | M362-E422 WeakPolarHBondContact CE-O 3.44Å; N420-E422 PolarHBondContact O-N 3.45Å; N420-E422 WeakPolarHBondContact OD1-CB 3.45Å; N420-E422 PolarHBondContact OD1-N 2.94Å; E422-K425 WeakPolarHBondContact O-CE 3.49Å |
| 423 | I | 83.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -33.7 | -178 | -56.3 | 178.5 | 0 | 0 | 0 | 111.8 | L296 M362 S394 N420 K425 | L296-I423 HydrophobicContact CD1-CG2 4.07Å; L296-I423 HydrophobicContact CD2-CG2 4.48Å; M362-I423 HydrophobicContact CG-CG1 4.49Å; S394-I423 WeakPolarHBondContact CB-O 3.22Å; S394-I423 PolarHBondContact OG-O 3.28Å; S394-I423 VanDerWaalsContact OG-O 3.09Å; N420-I423 PolarHBondContact O-N 3.11Å; N420-I423 PolarHBondContact OD1-N 2.87Å; I423-K425 PolarHBondContact O-N 2.8Å; I423-K425 VanDerWaalsContact O-N 3.12Å |
| 424 | T | 84.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -78.4 | 98.5 | -172.9 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | S394 P396 H397 I419 N420 A428 | S394-T424 VanDerWaalsContact OG-CA 3.29Å; S394-T424 WeakPolarHBondContact OG-CA 3.38Å; P396-T424 HydrophobicContact CB-CG2 4.44Å; H397-T424 PolarHBondContact N-OG1 2.86Å; H397-T424 VanDerWaalsContact N-OG1 3.07Å; H397-T424 PolarHBondContact O-OG1 3.24Å; I419-T424 HydrophobicContact CG2-CG2 3.74Å; N420-T424 WeakPolarHBondContact O-CA 3.27Å; N420-T424 WeakPolarHBondContact O-CB 3.44Å; N420-T424 PolarHBondContact O-N 3.04Å; N420-T424 PolarHBondContact O-OG1 2.95Å; T424-A428 HydrophobicContact CG2-CB 3.6Å | ||
| 425 | K | 81.7 | Confident | 87.4 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | trans | -131.1 | 145.2 | 179.8 | -55.3 | -65.1 | -172 | -157.4 | 0 | 110.6 | V392 E393 S394 E421 E422 I423 N474 | V392-K425 HydrophobicContact CG1-CB 3.97Å; V392-K425 HydrophobicContact CG1-CG 3.73Å; V392-K425 WeakPolarHBondContact O-CB 3.29Å; E393-K425 CarbonylContact C-O 3.48Å; E393-K425 WeakPolarHBondContact CA-O 3.28Å; S394-K425 PolarHBondContact N-O 2.97Å; S394-K425 PolarHBondContact OG-N 2.83Å; E421-K425 VanDerWaalsContact O-CE 3.31Å; E421-K425 WeakPolarHBondContact O-CE 3.44Å; E421-K425 PolarHBondContact O-NZ 3.09Å; E422-K425 WeakPolarHBondContact O-CE 3.49Å; I423-K425 PolarHBondContact O-N 2.8Å; I423-K425 VanDerWaalsContact O-N 3.12Å; K425-N474 PolarHBondContact O-ND2 2.89Å | ||
| 426 | P | 88 | Confident | 87 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | S | Bend | cis | -53.1 | 157.4 | -27.9 | 31.3 | -36.2 | 0 | 0 | 0 | 109.4 | E393 A428 N474 R475 | E393-P426 WeakPolarHBondContact OE2-CD 3.5Å; P426-A428 PolarHBondContact O-N 3.32Å; P426-N474 PolarHBondContact O-ND2 3.44Å; P426-N474 VanDerWaalsContact O-ND2 3.12Å; P426-R475 HydrophobicContact CG-CG 4Å |
| 427 | S | 84.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 45 Ų | 45 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -48.3 | 128.1 | -176 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 428 | A | 88.2 | Confident | 86.4 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 154.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | P396 I419 T424 P426 L472 H473 N474 | P396-A428 HydrophobicContact CB-CB 3.81Å; P396-A428 HydrophobicContact CG-CB 4.14Å; I419-A428 HydrophobicContact CD1-CB 4.3Å; I419-A428 WeakPolarHBondContact CD1-O 3.49Å; I419-A428 HydrophobicContact CG2-CB 4.23Å; T424-A428 HydrophobicContact CG2-CB 3.6Å; P426-A428 PolarHBondContact O-N 3.32Å; A428-L472 HydrophobicContact CB-CB 4.35Å; A428-H473 CarbonylContact C-O 3.48Å; A428-H473 VanDerWaalsContact CA-O 3.24Å; A428-H473 WeakPolarHBondContact CA-O 3.27Å; A428-H473 WeakPolarHBondContact CB-O 3.27Å; A428-N474 HydrophobicContact CB-CB 4.24Å |
| 429 | T | 90.1 | Very high | 86 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.3 | 168.5 | 26.9 | 0 | 0 | 0 | 0 | 109.2 | H473 | T429-H473 WeakPolarHBondContact CB-CE1 3.01Å; T429-H473 PolarHBondContact N-O 2.78Å; T429-H473 PolarHBondContact O-CE1 2.76Å; T429-H473 PolarHBondContact O-N 2.96Å; T429-H473 PolarHBondContact O-ND1 3.44Å; T429-H473 PolarHBondContact OG1-CD2 2.86Å; T429-H473 VanDerWaalsContact OG1-CD2 3.28Å; T429-H473 PolarHBondContact OG1-CE1 2.89Å; T429-H473 PolarHBondContact OG1-ND1 2.8Å; T429-H473 PolarHBondContact OG1-NE2 3.09Å; T429-H473 PolarHBondContact OG1-O 3.46Å |
| 430 | L | 91.1 | Very high | 85.5 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.7 | -176.6 | -177.1 | 155.1 | 0 | 0 | 0 | 109.9 | C417 I419 N453 I471 L472 | C417-L430 HydrophobicContact CB-CD1 3.94Å; I419-L430 HydrophobicContact CD1-CB 4.14Å; I419-L430 HydrophobicContact CG1-CB 4.46Å; I419-L430 HydrophobicContact CG1-CD1 4.2Å; L430-N453 HydrophobicContact CD1-CB 3.62Å; L430-N453 HydrophobicContact CD2-CB 3.84Å; L430-N453 HydrophobicContact CG-CB 4.21Å; L430-I471 WeakPolarHBondContact CA-O 3.12Å; L430-L472 HydrophobicContact CB-CD2 3.79Å; L430-L472 HydrophobicContact CD1-CD2 3.74Å; L430-L472 HydrophobicContact CG-CD2 3.86Å |
| 431 | N | 89.6 | Confident | 84.8 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.4 | 176.4 | -68.6 | -8.8 | 0 | 0 | 0 | 109.9 | I471 H473 | N431-I471 PolarHBondContact N-O 2.8Å; N431-I471 PolarHBondContact O-N 2.84Å; N431-H473 PolarHBondContact ND2-CE1 2.93Å |
| 432 | W | 89.9 | Confident | 84 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139 | 172 | -71.9 | 94.9 | 0 | 0 | 0 | 110.9 | P402 L415 C417 V439 N453 L455 Q469 C470 | P402-W432 HydrophobicContact CB-CH2 3.94Å; P402-W432 HydrophobicContact CB-CZ3 4.09Å; P402-W432 HydrophobicContact CG-CH2 3.94Å; P402-W432 HydrophobicContact CG-CZ3 3.9Å; L415-W432 HydrophobicContact CB-CH2 3.75Å; L415-W432 HydrophobicContact CB-CZ2 4.28Å; L415-W432 HydrophobicContact CB-CZ3 4.15Å; L415-W432 VanDerWaalsContact O-CZ2 3.25Å; L415-W432 WeakPolarHBondContact O-CZ2 3.46Å; C417-W432 HydrophobicContact CB-CH2 3.62Å; C417-W432 HydrophobicContact CB-CZ2 3.34Å; W432-V439 HydrophobicContact CB-CG2 3.47Å; W432-V439 VanDerWaalsContact CB-CG2 3.47Å; W432-V439 WeakPolarHBondContact O-CG2 3.41Å; W432-N453 PolarHBondContact NE1-O 2.85Å; W432-L455 HydrophobicContact CB-CD2 4.41Å; W432-L455 HydrophobicContact CD2-CB 4.06Å; W432-L455 HydrophobicContact CD2-CD2 4.02Å; W432-L455 HydrophobicContact CE3-CD2 4.13Å; W432-L455 HydrophobicContact CG-CB 4.33Å; W432-L455 HydrophobicContact CG-CD2 4.17Å; W432-L455 HydrophobicContact CZ2-CB 4.08Å; W432-Q469 CarbonylContact C-O 3.39Å; W432-Q469 WeakPolarHBondContact CA-O 3.03Å; W432-C470 HydrophobicContact CE3-CB 4.15Å; W432-C470 HydrophobicContact CH2-CB 4.17Å; W432-C470 HydrophobicContact CZ3-CB 3.96Å |
| 433 | L | 88.7 | Confident | 83.4 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 161 | 165.7 | -51.3 | -172.4 | 0 | 0 | 0 | 111 | L146 E437 P438 Q469 I471 | L146-L433 HydrophobicContact CD1-CD1 3.79Å; L433-E437 CarbonylContact C-O 3.58Å; L433-E437 WeakPolarHBondContact CA-O 3.42Å; L433-E437 VanDerWaalsContact CB-O 3.26Å; L433-E437 WeakPolarHBondContact CB-O 3.16Å; L433-P438 HydrophobicContact CD2-CG 4.29Å; L433-Q469 HydrophobicContact CB-CB 4.16Å; L433-Q469 PolarHBondContact N-O 2.69Å; L433-Q469 PolarHBondContact O-N 3.08Å; L433-I471 HydrophobicContact CD1-CD1 3.42Å; L433-I471 VanDerWaalsContact CD1-CD1 3.42Å; L433-I471 HydrophobicContact CD1-CG1 4.42Å; L433-I471 HydrophobicContact CD2-CD1 4.44Å; L433-I471 HydrophobicContact CG-CD1 3.69Å; L433-I471 HydrophobicContact CG-CG1 4.29Å |
| 434 | V | 87.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.1 | 163.7 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | G436 E437 V439 Y442 L443 A466 V467 F468 | V434-G436 PolarHBondContact O-N 3Å; V434-G436 VanDerWaalsContact O-N 3.16Å; V434-E437 PolarHBondContact N-O 2.68Å; V434-E437 PolarHBondContact O-N 3.14Å; V434-V439 HydrophobicContact CG2-CG2 3.9Å; V434-Y442 HydrophobicContact CB-CD2 3.92Å; V434-Y442 HydrophobicContact CB-CG 4.33Å; V434-Y442 HydrophobicContact CG1-CD2 4.32Å; V434-Y442 HydrophobicContact CG1-CG 4.43Å; V434-Y442 WeakPolarHBondContact O-CD2 3.23Å; V434-Y442 VanDerWaalsContact O-CE2 3.27Å; V434-Y442 WeakPolarHBondContact O-CE2 3.41Å; V434-L443 HydrophobicContact CG2-CD1 4.42Å; V434-A466 HydrophobicContact CG1-CB 3.47Å; V434-A466 VanDerWaalsContact CG1-CB 3.47Å; V434-V467 CarbonylContact C-O 3.5Å; V434-V467 WeakPolarHBondContact CA-O 2.9Å; V434-F468 HydrophobicContact CG2-CD1 3.84Å; V434-F468 HydrophobicContact CG2-CE1 3.71Å; V434-F468 HydrophobicContact CG2-CZ 4.34Å |
| 435 | N | 84.6 | Confident | 81 | Confident | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 43 | -179.4 | -66.7 | -29.9 | 0 | 0 | 0 | 113.5 | K144 E437 Y442 V467 | K144-N435 HydrophobicContact CB-CB 4.34Å; K144-N435 VanDerWaalsContact CD-O 3.26Å; K144-N435 WeakPolarHBondContact CD-O 3.3Å; K144-N435 WeakPolarHBondContact CG-O 3.43Å; K144-N435 PolarHBondContact NZ-O 2.83Å; K144-N435 CarbonylContact O-C 3.53Å; K144-N435 WeakPolarHBondContact O-CA 3.45Å; N435-E437 VanDerWaalsContact C-N 3.35Å; N435-E437 PolarHBondContact O-N 3.48Å; N435-Y442 HydrophobicContact CB-CE2 4.24Å; N435-V467 PolarHBondContact N-O 2.89Å; N435-V467 PolarHBondContact OD1-N 2.91Å |
| 436 | G | 79.4 | Confident | 79.8 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 18.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | K144 V434 | K144-G436 PolarHBondContact NZ-O 2.88Å; V434-G436 PolarHBondContact O-N 3Å; V434-G436 VanDerWaalsContact O-N 3.16Å |
| 437 | E | 83.5 | Confident | 79.1 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.9 | 174.7 | -57.2 | -66.2 | 136 | 0 | 0 | 110.7 | K144 L433 V434 N435 R441 Y442 | K144-E437 IonicContact NZ-OE1 3.75Å; K144-E437 PolarHBondContact NZ-OE1 2.87Å; L433-E437 CarbonylContact C-O 3.58Å; L433-E437 WeakPolarHBondContact CA-O 3.42Å; L433-E437 VanDerWaalsContact CB-O 3.26Å; L433-E437 WeakPolarHBondContact CB-O 3.16Å; V434-E437 PolarHBondContact N-O 2.68Å; V434-E437 PolarHBondContact O-N 3.14Å; N435-E437 VanDerWaalsContact C-N 3.35Å; N435-E437 PolarHBondContact O-N 3.48Å; E437-R441 IonicContact OE2-CZ 2.64Å; E437-R441 IonicContact OE2-NE 2.68Å; E437-R441 IonicContact OE2-NH1 3.09Å; E437-R441 PolarHBondContact OE2-NH1 2.89Å; E437-Y442 HydrophobicContact CB-CD2 4.08Å; E437-Y442 HydrophobicContact CB-CE2 3.75Å; E437-Y442 HydrophobicContact CG-CE2 3.85Å |
| 438 | P | 84.9 | Confident | 78.7 | Confident | 54 Ų | 54 | 60 Ų | 60 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 144.4 | 176.4 | -26.9 | 35.5 | 0 | 0 | 0 | 113.2 | L433 E440 R441 | L433-P438 HydrophobicContact CD2-CG 4.29Å; P438-E440 PolarHBondContact O-N 2.93Å; P438-R441 PolarHBondContact O-N 3.36Å |
| 439 | V | 81.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54 | -25.8 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 112 | W432 V434 R441 Y442 L443 K448 L455 | W432-V439 HydrophobicContact CB-CG2 3.47Å; W432-V439 VanDerWaalsContact CB-CG2 3.47Å; W432-V439 WeakPolarHBondContact O-CG2 3.41Å; V434-V439 HydrophobicContact CG2-CG2 3.9Å; V439-R441 VanDerWaalsContact C-N 3.26Å; V439-R441 PolarHBondContact O-N 3.27Å; V439-Y442 PolarHBondContact O-N 2.81Å; V439-L443 HydrophobicContact CG1-CB 3.99Å; V439-L443 HydrophobicContact CG1-CD1 4.12Å; V439-L443 HydrophobicContact CG1-CG 4.47Å; V439-L443 PolarHBondContact O-N 2.83Å; V439-K448 HydrophobicContact CG1-CD 3.58Å; V439-K448 PolarHBondContact O-NZ 2.81Å; V439-L455 HydrophobicContact CG2-CD2 4.33Å |
| 440 | E | 78.5 | Confident | 77.8 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -22.2 | 178.2 | -68.6 | 53.1 | -109.4 | 0 | 0 | 113.1 | P438 K448 | P438-E440 PolarHBondContact O-N 2.93Å; E440-K448 IonicContact OE1-NZ 2.74Å; E440-K448 PolarHBondContact OE1-NZ 3.25Å |
| 441 | R | 74.3 | Confident | 77.2 | Confident | 179 Ų | 179 | 67 Ų | 67 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83.7 | -33.7 | 176.3 | -69.8 | -173 | 168.3 | -174.1 | -8 | 113.1 | E437 P438 V439 | E437-R441 IonicContact OE2-CZ 2.64Å; E437-R441 IonicContact OE2-NE 2.68Å; E437-R441 IonicContact OE2-NH1 3.09Å; E437-R441 PolarHBondContact OE2-NH1 2.89Å; P438-R441 PolarHBondContact O-N 3.36Å; V439-R441 VanDerWaalsContact C-N 3.26Å; V439-R441 PolarHBondContact O-N 3.27Å |
| 442 | Y | 66.9 | Low | 76.5 | Confident | 125 Ų | 125 | 70 Ų | 70 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -99 | -38 | -176.1 | -80.8 | -74 | 0 | 0 | 0 | 113.8 | V434 N435 E437 V439 | V434-Y442 HydrophobicContact CB-CD2 3.92Å; V434-Y442 HydrophobicContact CB-CG 4.33Å; V434-Y442 HydrophobicContact CG1-CD2 4.32Å; V434-Y442 HydrophobicContact CG1-CG 4.43Å; V434-Y442 WeakPolarHBondContact O-CD2 3.23Å; V434-Y442 VanDerWaalsContact O-CE2 3.27Å; V434-Y442 WeakPolarHBondContact O-CE2 3.41Å; N435-Y442 HydrophobicContact CB-CE2 4.24Å; E437-Y442 HydrophobicContact CB-CD2 4.08Å; E437-Y442 HydrophobicContact CB-CE2 3.75Å; E437-Y442 HydrophobicContact CG-CE2 3.85Å; V439-Y442 PolarHBondContact O-N 2.81Å |
| 443 | L | 69.4 | Low | 76.1 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | trans | -117.6 | 99 | -171.3 | -63.2 | 178.9 | 0 | 0 | 0 | 110.9 | V434 V439 K448 L457 D464 F468 | V434-L443 HydrophobicContact CG2-CD1 4.42Å; V439-L443 HydrophobicContact CG1-CB 3.99Å; V439-L443 HydrophobicContact CG1-CD1 4.12Å; V439-L443 HydrophobicContact CG1-CG 4.47Å; V439-L443 PolarHBondContact O-N 2.83Å; L443-K448 HydrophobicContact CB-CD 4.01Å; L443-K448 VanDerWaalsContact O-CD 3.32Å; L443-K448 WeakPolarHBondContact O-CD 3.27Å; L443-K448 WeakPolarHBondContact O-CE 3.47Å; L443-K448 PolarHBondContact O-NZ 2.91Å; L443-L457 HydrophobicContact CD1-CD1 4.03Å; L443-L457 HydrophobicContact CD1-CD2 3.82Å; L443-L457 HydrophobicContact CD2-CD1 4.33Å; L443-D464 VanDerWaalsContact CD2-OD1 3.28Å; L443-D464 WeakPolarHBondContact CD2-OD1 3.49Å; L443-F468 HydrophobicContact CD1-CE1 3.93Å; L443-F468 HydrophobicContact CD1-CZ 4.21Å | ||
| 444 | N | 59.6 | Low | 76 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 68% | 0.684 | 36% | 0.364 | S | S | * | . | trans | -93.8 | 140.5 | 177.9 | -84.5 | -39.7 | 0 | 0 | 0 | 112.8 | ||||
| 445 | G | 58.3 | Low | 76 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | 74.5 | -162.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R447 K448 | G445-R447 PolarHBondContact O-N 2.9Å; G445-K448 PolarHBondContact O-N 3.02Å |
| 446 | L | 56.6 | Low | 76.2 | Confident | 177 Ų | 177 | 72.9 Ų | 72.9 | 93% | 0.927 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -59.3 | -6 | -167.4 | -64.1 | 169.5 | 0 | 0 | 0 | 116.1 | ||
| 447 | R | 72.6 | Confident | 76.6 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -76.1 | -18.8 | 175.5 | -65.4 | -159.5 | -54.4 | 135.4 | 7.3 | 113.4 | G445 L457 Y458 N459 D464 | G445-R447 PolarHBondContact O-N 2.9Å; R447-L457 HydrophobicContact CB-CD1 4.38Å; R447-L457 CarbonylContact O-C 3.52Å; R447-L457 WeakPolarHBondContact O-CA 3.5Å; R447-L457 WeakPolarHBondContact O-CD1 3.31Å; R447-Y458 WeakPolarHBondContact O-CD2 3.3Å; R447-Y458 PolarHBondContact O-N 3.08Å; R447-N459 PolarHBondContact NH1-O 2.83Å; R447-D464 IonicContact CZ-OD1 3.61Å; R447-D464 IonicContact CZ-OD2 3.78Å; R447-D464 IonicContact NH1-OD1 3.12Å; R447-D464 PolarHBondContact NH1-OD1 2.78Å; R447-D464 IonicContact NH1-OD2 2.71Å; R447-D464 PolarHBondContact NH1-OD2 2.82Å; R447-D464 IonicContact NH2-OD1 3.66Å; R447-D464 PolarHBondContact NH2-OD1 2.9Å; R447-D464 IonicContact NH2-OD2 2.78Å |
| 448 | K | 76.4 | Confident | 76.7 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.4 | 176 | 72.6 | 172.8 | -177.6 | -170.7 | 0 | 112.4 | V439 E440 L443 G445 L455 Y456 | V439-K448 HydrophobicContact CG1-CD 3.58Å; V439-K448 PolarHBondContact O-NZ 2.81Å; E440-K448 IonicContact OE1-NZ 2.74Å; E440-K448 PolarHBondContact OE1-NZ 3.25Å; L443-K448 HydrophobicContact CB-CD 4.01Å; L443-K448 VanDerWaalsContact O-CD 3.32Å; L443-K448 WeakPolarHBondContact O-CD 3.27Å; L443-K448 WeakPolarHBondContact O-CE 3.47Å; L443-K448 PolarHBondContact O-NZ 2.91Å; G445-K448 PolarHBondContact O-N 3.02Å; K448-L455 HydrophobicContact CB-CD1 4.35Å; K448-Y456 CarbonylContact C-O 3.57Å; K448-Y456 WeakPolarHBondContact CA-O 3.36Å |
| 449 | V | 78.3 | Confident | 76.6 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.4 | 163.6 | 175.3 | 0 | 0 | 0 | 0 | 107.6 | Q451 Y456 Y458 | V449-Q451 HydrophobicContact CG1-CB 4.15Å; V449-Y456 PolarHBondContact N-O 3.42Å; V449-Y456 PolarHBondContact O-N 2.89Å; V449-Y458 HydrophobicContact CB-CE2 4.45Å; V449-Y458 HydrophobicContact CG2-CE2 4.13Å |
| 450 | I | 81.4 | Confident | 76.5 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 41% | 0.41 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.9 | 167.6 | -61.3 | 174.3 | 0 | 0 | 0 | 106.7 | V454 L455 | I450-V454 WeakPolarHBondContact CA-O 3.48Å; I450-L455 HydrophobicContact CD1-CD1 4.3Å; I450-L455 HydrophobicContact CG1-CB 4.37Å; I450-L455 HydrophobicContact CG1-CD1 3.72Å |
| 451 | Q | 78.5 | Confident | 76.6 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 129.7 | -178.1 | -176.1 | 175.4 | 5.5 | 0 | 0 | 109.3 | V449 N453 V454 Y456 | V449-Q451 HydrophobicContact CG1-CB 4.15Å; Q451-N453 VanDerWaalsContact C-N 3.27Å; Q451-N453 PolarHBondContact O-N 2.8Å; Q451-V454 PolarHBondContact N-O 3.08Å; Q451-V454 WeakPolarHBondContact O-CB 3.35Å; Q451-V454 PolarHBondContact O-N 3.19Å; Q451-Y456 HydrophobicContact CB-CE2 4.16Å |
| 452 | N | 75.1 | Confident | 76.5 | Confident | 146 Ų | 146 | 69.4 Ų | 69.4 | 78% | 0.781 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 48.6 | -178.2 | -58 | 7.7 | 0 | 0 | 0 | 112.2 | V454 | N452-V454 PolarHBondContact O-N 3.03Š|
| 453 | N | 82.1 | Confident | 76.9 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | -9.6 | -174.4 | -62.5 | -24.7 | 0 | 0 | 0 | 117.1 | C417 L430 W432 Q451 | C417-N453 WeakPolarHBondContact O-CB 3.47Å; L430-N453 HydrophobicContact CD1-CB 3.62Å; L430-N453 HydrophobicContact CD2-CB 3.84Å; L430-N453 HydrophobicContact CG-CB 4.21Å; W432-N453 PolarHBondContact NE1-O 2.85Å; Q451-N453 VanDerWaalsContact C-N 3.27Å; Q451-N453 PolarHBondContact O-N 2.8Å |
| 454 | V | 85.7 | Confident | 77.5 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.4 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V414 R416 I450 Q451 N452 Y456 | V414-V454 HydrophobicContact CG1-CG1 3.34Å; R416-V454 HydrophobicContact CG-CG1 4.06Å; R416-V454 HydrophobicContact CG-CG2 4.19Å; I450-V454 WeakPolarHBondContact CA-O 3.48Å; Q451-V454 PolarHBondContact N-O 3.08Å; Q451-V454 WeakPolarHBondContact O-CB 3.35Å; Q451-V454 PolarHBondContact O-N 3.19Å; N452-V454 PolarHBondContact O-N 3.03Å; V454-Y456 HydrophobicContact CB-CD2 4.39Å; V454-Y456 HydrophobicContact CB-CE2 3.71Å; V454-Y456 HydrophobicContact CG1-CD2 4.03Å; V454-Y456 HydrophobicContact CG1-CE1 4.4Å; V454-Y456 HydrophobicContact CG1-CE2 3.54Å |
| 455 | L | 88.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.8 | 174.7 | 168 | 59.5 | 0 | 0 | 0 | 109.8 | L415 W432 V439 K448 I450 F468 | L415-L455 HydrophobicContact CB-CB 4.03Å; L415-L455 HydrophobicContact CB-CG 4.38Å; L415-L455 WeakPolarHBondContact CB-O 3.39Å; L415-L455 HydrophobicContact CD1-CD2 3.9Å; L415-L455 HydrophobicContact CD1-CG 4.29Å; L415-L455 PolarHBondContact N-O 2.75Å; L415-L455 PolarHBondContact O-N 3.47Å; W432-L455 HydrophobicContact CB-CD2 4.41Å; W432-L455 HydrophobicContact CD2-CB 4.06Å; W432-L455 HydrophobicContact CD2-CD2 4.02Å; W432-L455 HydrophobicContact CE3-CD2 4.13Å; W432-L455 HydrophobicContact CG-CB 4.33Å; W432-L455 HydrophobicContact CG-CD2 4.17Å; W432-L455 HydrophobicContact CZ2-CB 4.08Å; V439-L455 HydrophobicContact CG2-CD2 4.33Å; K448-L455 HydrophobicContact CB-CD1 4.35Å; I450-L455 HydrophobicContact CD1-CD1 4.3Å; I450-L455 HydrophobicContact CG1-CB 4.37Å; I450-L455 HydrophobicContact CG1-CD1 3.72Å; L455-F468 HydrophobicContact CD2-CD1 3.81Å; L455-F468 HydrophobicContact CD2-CE1 3.98Å |
| 456 | Y | 88.4 | Confident | 79.6 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.4 | 170.8 | -57.8 | -102.7 | 0 | 0 | 0 | 108.9 | I413 V414 K448 V449 Q451 V454 | I413-Y456 WeakPolarHBondContact O-CA 3.46Å; V414-Y456 HydrophobicContact CB-CD1 4.42Å; V414-Y456 HydrophobicContact CB-CE1 4.48Å; V414-Y456 HydrophobicContact CG1-CD1 4.01Å; V414-Y456 HydrophobicContact CG1-CE1 3.7Å; V414-Y456 HydrophobicContact CG2-CD1 3.79Å; V414-Y456 HydrophobicContact CG2-CE1 3.97Å; K448-Y456 CarbonylContact C-O 3.57Å; K448-Y456 WeakPolarHBondContact CA-O 3.36Å; V449-Y456 PolarHBondContact N-O 3.42Å; V449-Y456 PolarHBondContact O-N 2.89Å; Q451-Y456 HydrophobicContact CB-CE2 4.16Å; V454-Y456 HydrophobicContact CB-CD2 4.39Å; V454-Y456 HydrophobicContact CB-CE2 3.71Å; V454-Y456 HydrophobicContact CG1-CD2 4.03Å; V454-Y456 HydrophobicContact CG1-CE1 4.4Å; V454-Y456 HydrophobicContact CG1-CE2 3.54Å |
| 457 | L | 87 | Confident | 81 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.4 | 177.6 | 175.7 | 59.6 | 0 | 0 | 0 | 109.1 | S412 I413 L443 R447 L460 D464 F468 | S412-L457 CarbonylContact C-O 3.43Å; S412-L457 WeakPolarHBondContact CA-O 3.33Å; S412-L457 WeakPolarHBondContact CB-O 3.38Å; I413-L457 HydrophobicContact CG2-CB 3.79Å; I413-L457 HydrophobicContact CG2-CD2 4.42Å; I413-L457 HydrophobicContact CG2-CG 4.42Å; I413-L457 PolarHBondContact N-O 2.97Å; I413-L457 PolarHBondContact O-N 3.06Å; L443-L457 HydrophobicContact CD1-CD1 4.03Å; L443-L457 HydrophobicContact CD1-CD2 3.82Å; L443-L457 HydrophobicContact CD2-CD1 4.33Å; R447-L457 HydrophobicContact CB-CD1 4.38Å; R447-L457 CarbonylContact O-C 3.52Å; R447-L457 WeakPolarHBondContact O-CA 3.5Å; R447-L457 WeakPolarHBondContact O-CD1 3.31Å; L457-L460 HydrophobicContact CD2-CD2 3.58Å; L457-L460 HydrophobicContact CG-CD2 3.71Å; L457-D464 HydrophobicContact CD2-CB 4.46Å; L457-F468 HydrophobicContact CD2-CE1 4.2Å; L457-F468 HydrophobicContact CD2-CZ 3.79Å |
| 458 | Y | 85.6 | Confident | 81.7 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | trans | -117.6 | 152.3 | -171.8 | -52.9 | -86.1 | 0 | 0 | 0 | 110.9 | R447 V449 | R447-Y458 WeakPolarHBondContact O-CD2 3.3Å; R447-Y458 PolarHBondContact O-N 3.08Å; V449-Y458 HydrophobicContact CB-CE2 4.45Å; V449-Y458 HydrophobicContact CG2-CE2 4.13Å | ||
| 459 | N | 82.8 | Confident | 82.3 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 53.5 | 62 | -178.1 | -58.1 | 13.5 | 0 | 0 | 0 | 111 | S411 R447 | S411-N459 PolarHBondContact O-N 3.22Å; R447-N459 PolarHBondContact NH1-O 2.83Å |
| 460 | L | 81.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -62.4 | 141.2 | 176.7 | -72.5 | 172.7 | 0 | 0 | 0 | 111.9 | L407 N410 S411 I413 L457 D464 V487 | L407-L460 HydrophobicContact CB-CD1 4.12Å; L407-L460 HydrophobicContact CD1-CD1 3.58Å; N410-L460 PolarHBondContact N-O 2.93Å; S411-L460 WeakPolarHBondContact O-CG 3.29Å; S411-L460 PolarHBondContact O-N 2.8Å; I413-L460 HydrophobicContact CB-CD1 4.21Å; I413-L460 HydrophobicContact CG2-CD1 4.18Å; I413-L460 HydrophobicContact CG2-CD2 4.29Å; L457-L460 HydrophobicContact CD2-CD2 3.58Å; L457-L460 HydrophobicContact CG-CD2 3.71Å; L460-D464 HydrophobicContact CD2-CB 3.9Å; L460-V487 HydrophobicContact CB-CG1 4.18Å; L460-V487 HydrophobicContact CB-CG2 4.13Å; L460-V487 HydrophobicContact CD1-CG2 4.47Å; L460-V487 HydrophobicContact CD2-CG2 4.41Å | ||
| 461 | T | 80.1 | Confident | 83.3 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | trans | -127.2 | 162.7 | 175.6 | 68.5 | 0 | 0 | 0 | 0 | 109.5 | K463 D464 V487 | T461-K463 PolarHBondContact O-N 3.47Å; T461-K463 PolarHBondContact OG1-N 2.98Å; T461-D464 WeakPolarHBondContact CB-OD2 3.41Å; T461-D464 PolarHBondContact N-OD2 3.37Å; T461-D464 WeakPolarHBondContact O-CB 3.38Å; T461-D464 PolarHBondContact O-N 2.91Å; T461-D464 PolarHBondContact OG1-OD2 3.49Å; T461-V487 WeakPolarHBondContact O-CG2 3.34Å | ||
| 462 | V | 72.8 | Confident | 83.8 | Confident | 90 Ų | 90 | 40.8 Ų | 40.8 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -50.2 | -33.4 | 175.2 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | E409 D464 S465 | E409-V462 HydrophobicContact CG-CG2 4.45Å; E409-V462 WeakPolarHBondContact OE1-CG2 3.28Å; E409-V462 PolarHBondContact OE1-N 2.77Å; E409-V462 VanDerWaalsContact OE1-N 3.14Å; V462-D464 VanDerWaalsContact C-N 3.26Å; V462-D464 PolarHBondContact O-N 3.34Å; V462-S465 WeakPolarHBondContact O-CB 3.4Å; V462-S465 PolarHBondContact O-N 2.96Å; V462-S465 VanDerWaalsContact O-N 3.09Å; V462-S465 PolarHBondContact O-OG 3.3Å |
| 463 | K | 75.5 | Confident | 84.4 | Confident | 196 Ų | 196 | 36.6 Ų | 36.6 | 85% | 0.852 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -68.3 | -18.9 | 179.1 | -64.1 | -178.4 | -179.7 | 177.5 | 0 | 114.6 | T461 | T461-K463 PolarHBondContact O-N 3.47Å; T461-K463 PolarHBondContact OG1-N 2.98Å |
| 464 | D | 81.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -84.3 | 1.7 | 174.8 | -51.7 | -69.8 | 0 | 0 | 0 | 111.5 | L443 R447 L457 L460 T461 V462 A466 | L443-D464 VanDerWaalsContact CD2-OD1 3.28Å; L443-D464 WeakPolarHBondContact CD2-OD1 3.49Å; R447-D464 IonicContact CZ-OD1 3.61Å; R447-D464 IonicContact CZ-OD2 3.78Å; R447-D464 IonicContact NH1-OD1 3.12Å; R447-D464 PolarHBondContact NH1-OD1 2.78Å; R447-D464 IonicContact NH1-OD2 2.71Å; R447-D464 PolarHBondContact NH1-OD2 2.82Å; R447-D464 IonicContact NH2-OD1 3.66Å; R447-D464 PolarHBondContact NH2-OD1 2.9Å; R447-D464 IonicContact NH2-OD2 2.78Å; L457-D464 HydrophobicContact CD2-CB 4.46Å; L460-D464 HydrophobicContact CD2-CB 3.9Å; T461-D464 WeakPolarHBondContact CB-OD2 3.41Å; T461-D464 PolarHBondContact N-OD2 3.37Å; T461-D464 WeakPolarHBondContact O-CB 3.38Å; T461-D464 PolarHBondContact O-N 2.91Å; T461-D464 PolarHBondContact OG1-OD2 3.49Å; V462-D464 VanDerWaalsContact C-N 3.26Å; V462-D464 PolarHBondContact O-N 3.34Å; D464-A466 PolarHBondContact O-N 3.48Å |
| 465 | S | 79.6 | Confident | 84.7 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | -72.3 | 109.7 | 170.6 | -52 | 0 | 0 | 0 | 0 | 110.7 | V462 I485 V487 | V462-S465 WeakPolarHBondContact O-CB 3.4Å; V462-S465 PolarHBondContact O-N 2.96Å; V462-S465 VanDerWaalsContact O-N 3.09Å; V462-S465 PolarHBondContact O-OG 3.3Å; S465-I485 CarbonylContact C-O 3.56Å; S465-I485 WeakPolarHBondContact CA-O 2.98Å; S465-V487 PolarHBondContact OG-N 3.22Å | ||
| 466 | A | 81.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113 | V434 D464 F468 I485 | V434-A466 HydrophobicContact CG1-CB 3.47Å; V434-A466 VanDerWaalsContact CG1-CB 3.47Å; D464-A466 PolarHBondContact O-N 3.48Å; A466-F468 HydrophobicContact CB-CD2 4.46Å; A466-F468 HydrophobicContact CB-CE2 4.15Å; A466-F468 PolarHBondContact O-N 2.56Å; A466-I485 PolarHBondContact N-O 3.09Å; A466-I485 PolarHBondContact O-N 3.26Å |
| 467 | V | 86.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 105.8 | 164.4 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | P26 V434 N435 Q469 N482 | P26-V467 HydrophobicContact CB-CG2 3.32Å; P26-V467 HydrophobicContact CG-CG2 3.63Å; V434-V467 CarbonylContact C-O 3.5Å; V434-V467 WeakPolarHBondContact CA-O 2.9Å; N435-V467 PolarHBondContact N-O 2.89Å; N435-V467 PolarHBondContact OD1-N 2.91Å; V467-Q469 HydrophobicContact CG1-CG 3.8Å; V467-N482 HydrophobicContact CG1-CB 3.97Å |
| 468 | F | 88.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.5 | 165.3 | -71.7 | -99.9 | 0 | 0 | 0 | 108.6 | L415 V434 L443 L455 L457 A466 A483 I485 | L415-F468 HydrophobicContact CD1-CB 3.92Å; L415-F468 HydrophobicContact CD1-CD1 3.36Å; L415-F468 HydrophobicContact CD1-CD2 4.14Å; L415-F468 HydrophobicContact CD1-CE1 3.84Å; L415-F468 HydrophobicContact CD1-CG 3.52Å; L415-F468 HydrophobicContact CD1-CZ 4.41Å; V434-F468 HydrophobicContact CG2-CD1 3.84Å; V434-F468 HydrophobicContact CG2-CE1 3.71Å; V434-F468 HydrophobicContact CG2-CZ 4.34Å; L443-F468 HydrophobicContact CD1-CE1 3.93Å; L443-F468 HydrophobicContact CD1-CZ 4.21Å; L455-F468 HydrophobicContact CD2-CD1 3.81Å; L455-F468 HydrophobicContact CD2-CE1 3.98Å; L457-F468 HydrophobicContact CD2-CE1 4.2Å; L457-F468 HydrophobicContact CD2-CZ 3.79Å; A466-F468 HydrophobicContact CB-CD2 4.46Å; A466-F468 HydrophobicContact CB-CE2 4.15Å; A466-F468 PolarHBondContact O-N 2.56Å; F468-A483 PolarHBondContact N-O 3.01Å; F468-A483 PolarHBondContact O-N 3.44Å; F468-I485 HydrophobicContact CD2-CB 3.91Å; F468-I485 HydrophobicContact CD2-CG1 3.55Å; F468-I485 HydrophobicContact CE2-CB 3.87Å; F468-I485 HydrophobicContact CE2-CG1 3.87Å; F468-I485 HydrophobicContact CE2-CG2 4.49Å; F468-I485 HydrophobicContact CG-CG1 4.39Å |
| 469 | Q | 88.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.3 | -177.7 | -46 | 176.1 | -85.8 | 0 | 0 | 109.5 | W432 L433 V467 I481 N482 | W432-Q469 CarbonylContact C-O 3.39Å; W432-Q469 WeakPolarHBondContact CA-O 3.03Å; L433-Q469 HydrophobicContact CB-CB 4.16Å; L433-Q469 PolarHBondContact N-O 2.69Å; L433-Q469 PolarHBondContact O-N 3.08Å; V467-Q469 HydrophobicContact CG1-CG 3.8Å; Q469-I481 CarbonylContact C-O 3.57Å; Q469-I481 VanDerWaalsContact CA-O 3.27Å; Q469-I481 WeakPolarHBondContact CA-O 3.42Å; Q469-N482 WeakPolarHBondContact CG-OD1 3.47Å; Q469-N482 PolarHBondContact NE2-OD1 3.29Å |
| 470 | C | 90 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.4 | 169.5 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | F398 P402 C417 W432 I481 | F398-C470 HydrophobicContact CE1-CB 4.12Å; P402-C470 HydrophobicContact CG-CB 4.34Å; C417-C470 HydrophobicContact CB-CB 3.76Å; C417-C470 WeakPolarHBondContact CB-SG 3.38Å; C417-C470 WeakPolarHBondContact SG-CB 3.13Å; C417-C470 CovalentContact SG-SG 2.03Å; C417-C470 PolarHBondContact SG-SG 2.78Å; W432-C470 HydrophobicContact CE3-CB 4.15Å; W432-C470 HydrophobicContact CH2-CB 4.17Å; W432-C470 HydrophobicContact CZ3-CB 3.96Å; C470-I481 HydrophobicContact CB-CG2 3.9Å; C470-I481 PolarHBondContact N-O 2.93Å; C470-I481 PolarHBondContact O-N 2.86Å |
| 471 | I | 90.2 | Very high | 83.7 | Confident | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.108 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.2 | 179.9 | -61 | -165.7 | 0 | 0 | 0 | 108.8 | L430 N431 L433 I478 I480 | L430-I471 WeakPolarHBondContact CA-O 3.12Å; N431-I471 PolarHBondContact N-O 2.8Å; N431-I471 PolarHBondContact O-N 2.84Å; L433-I471 HydrophobicContact CD1-CD1 3.42Å; L433-I471 VanDerWaalsContact CD1-CD1 3.42Å; L433-I471 HydrophobicContact CD1-CG1 4.42Å; L433-I471 HydrophobicContact CD2-CD1 4.44Å; L433-I471 HydrophobicContact CG-CD1 3.69Å; L433-I471 HydrophobicContact CG-CG1 4.29Å; I471-I478 HydrophobicContact CG2-CG2 3.55Å; I471-I480 HydrophobicContact CD1-CD1 4.01Å; I471-I480 HydrophobicContact CD1-CG1 4.22Å; I471-I480 HydrophobicContact CG1-CD1 4.39Å; I471-I480 HydrophobicContact CG1-CG1 4.04Å; I471-I480 HydrophobicContact CG1-CG2 4.15Å; I471-I480 HydrophobicContact CG2-CG1 4.39Å |
| 472 | L | 89.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.3 | 165.2 | -60.1 | 179.6 | 0 | 0 | 0 | 109 | P396 H397 F398 I419 A428 L430 I478 N479 | P396-L472 HydrophobicContact CB-CB 3.37Å; P396-L472 HydrophobicContact CB-CD1 4.17Å; P396-L472 HydrophobicContact CB-CG 4.42Å; P396-L472 HydrophobicContact CG-CB 4.25Å; H397-L472 VanDerWaalsContact C-CD1 3.42Å; H397-L472 WeakPolarHBondContact O-CD1 3.48Å; F398-L472 HydrophobicContact CB-CD1 4.44Å; F398-L472 HydrophobicContact CD1-CD1 3.49Å; F398-L472 VanDerWaalsContact CD1-CD1 3.49Å; F398-L472 HydrophobicContact CD1-CG 3.87Å; F398-L472 HydrophobicContact CD2-CD1 4.22Å; F398-L472 HydrophobicContact CE1-CD1 3.64Å; F398-L472 HydrophobicContact CE1-CD2 4.39Å; F398-L472 HydrophobicContact CE1-CG 3.51Å; F398-L472 HydrophobicContact CE2-CD1 4.35Å; F398-L472 HydrophobicContact CG-CD1 3.79Å; F398-L472 HydrophobicContact CZ-CD1 4.07Å; F398-L472 HydrophobicContact CZ-CG 3.96Å; I419-L472 HydrophobicContact CD1-CD2 4.11Å; I419-L472 HydrophobicContact CG1-CD2 3.79Å; A428-L472 HydrophobicContact CB-CB 4.35Å; L430-L472 HydrophobicContact CB-CD2 3.79Å; L430-L472 HydrophobicContact CD1-CD2 3.74Å; L430-L472 HydrophobicContact CG-CD2 3.86Å; L472-I478 CarbonylContact O-C 3.5Å; L472-I478 WeakPolarHBondContact O-CA 3.46Å; L472-N479 PolarHBondContact N-O 3.29Å; L472-N479 PolarHBondContact O-N 3.16Å |
| 473 | H | 88.5 | Confident | 84.1 | Confident | 59 Ų | 59 | 36 Ų | 36 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.6 | 172.9 | 62.1 | -65.9 | 0 | 0 | 0 | 111.1 | A428 T429 N431 G477 I478 | A428-H473 CarbonylContact C-O 3.48Å; A428-H473 VanDerWaalsContact CA-O 3.24Å; A428-H473 WeakPolarHBondContact CA-O 3.27Å; A428-H473 WeakPolarHBondContact CB-O 3.27Å; T429-H473 WeakPolarHBondContact CB-CE1 3.01Å; T429-H473 PolarHBondContact N-O 2.78Å; T429-H473 PolarHBondContact O-CE1 2.76Å; T429-H473 PolarHBondContact O-N 2.96Å; T429-H473 PolarHBondContact O-ND1 3.44Å; T429-H473 PolarHBondContact OG1-CD2 2.86Å; T429-H473 VanDerWaalsContact OG1-CD2 3.28Å; T429-H473 PolarHBondContact OG1-CE1 2.89Å; T429-H473 PolarHBondContact OG1-ND1 2.8Å; T429-H473 PolarHBondContact OG1-NE2 3.09Å; T429-H473 PolarHBondContact OG1-O 3.46Å; N431-H473 PolarHBondContact ND2-CE1 2.93Å; H473-G477 WeakPolarHBondContact CA-O 3.41Å; H473-I478 HydrophobicContact CB-CG1 4.07Å |
| 474 | N | 88 | Confident | 84.4 | Confident | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -169.6 | 164.6 | 72.6 | -2.2 | 0 | 0 | 0 | 108.5 | S394 P396 K425 P426 A428 H476 G477 | S394-N474 PolarHBondContact O-ND2 2.83Å; P396-N474 WeakPolarHBondContact CD-OD1 3.38Å; P396-N474 HydrophobicContact CG-CB 4.24Å; K425-N474 PolarHBondContact O-ND2 2.89Å; P426-N474 PolarHBondContact O-ND2 3.44Å; P426-N474 VanDerWaalsContact O-ND2 3.12Å; A428-N474 HydrophobicContact CB-CB 4.24Å; N474-H476 PolarHBondContact O-N 2.9Å; N474-H476 WeakPolarHBondContact OD1-CB 3.44Å; N474-H476 PolarHBondContact OD1-N 2.85Å; N474-G477 PolarHBondContact N-O 3.48Å; N474-G477 VanDerWaalsContact N-O 3.13Å; N474-G477 PolarHBondContact OD1-N 2.92Å |
| 475 | R | 85.7 | Confident | 84.4 | Confident | 156 Ų | 156 | 27.6 Ų | 27.6 | 59% | 0.589 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.2 | -178.4 | 69.8 | 177.4 | 171.5 | -166.6 | 0 | 115.3 | E393 P426 | E393-R475 IonicContact OE1-CZ 2.69Å; E393-R475 IonicContact OE1-NH2 2.67Å; E393-R475 PolarHBondContact OE1-NH2 3.43Å; E393-R475 IonicContact OE2-CZ 3.31Å; E393-R475 IonicContact OE2-NE 2.81Å; E393-R475 PolarHBondContact OE2-NE 2.85Å; E393-R475 IonicContact OE2-NH2 2.73Å; E393-R475 PolarHBondContact OE2-NH2 3.01Å; P426-R475 HydrophobicContact CG-CG 4Å |
| 476 | H | 81.5 | Confident | 84.3 | Confident | 33 Ų | 33 | 28.6 Ų | 28.6 | 15% | 0.153 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -13.8 | -170.4 | -68.2 | -43.2 | 0 | 0 | 0 | 115 | V294 L295 E393 N474 | V294-H476 PolarHBondContact O-CD2 3.18Å; V294-H476 PolarHBondContact O-CE1 2.83Å; V294-H476 PolarHBondContact O-ND1 2.02Å; V294-H476 PolarHBondContact O-NE2 3.37Å; L295-H476 HydrophobicContact CD2-CB 3.55Å; L295-H476 WeakPolarHBondContact CD2-O 3.47Å; L295-H476 HydrophobicContact CG-CB 4.14Å; E393-H476 WeakPolarHBondContact CB-NE2 3.39Å; E393-H476 IonicContact OE2-CD2 2.74Å; E393-H476 IonicContact OE2-CE1 3.33Å; E393-H476 IonicContact OE2-NE2 3.48Å; E393-H476 PolarHBondContact OE2-NE2 2.03Å; N474-H476 PolarHBondContact O-N 2.9Å; N474-H476 WeakPolarHBondContact OD1-CB 3.44Å; N474-H476 PolarHBondContact OD1-N 2.85Å |
| 477 | G | 76.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P396 H473 N474 | P396-G477 WeakPolarHBondContact CD-O 3.35Å; P396-G477 WeakPolarHBondContact CG-O 3.3Å; H473-G477 WeakPolarHBondContact CA-O 3.41Å; N474-G477 PolarHBondContact N-O 3.48Å; N474-G477 VanDerWaalsContact N-O 3.13Å; N474-G477 PolarHBondContact OD1-N 2.92Å |
| 478 | I | 83 | Confident | 83 | Confident | 70 Ų | 70 | 32.3 Ų | 32.3 | 36% | 0.359 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.4 | 176 | -54.4 | -177.5 | 0 | 0 | 0 | 106.8 | P149 I471 L472 H473 I480 | P149-I478 HydrophobicContact CG-CD1 4.22Å; I471-I478 HydrophobicContact CG2-CG2 3.55Å; L472-I478 CarbonylContact O-C 3.5Å; L472-I478 WeakPolarHBondContact O-CA 3.46Å; H473-I478 HydrophobicContact CB-CG1 4.07Å; I478-I480 HydrophobicContact CG2-CD1 4.17Å; I478-I480 HydrophobicContact CG2-CG1 3.89Å |
| 479 | N | 83 | Confident | 82.1 | Confident | 45 Ų | 45 | 35 Ų | 35 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.2 | 175.1 | -158.7 | -10 | 0 | 0 | 0 | 108.5 | P396 F398 L472 | P396-N479 HydrophobicContact CB-CB 4.34Å; P396-N479 WeakPolarHBondContact O-CB 3.34Å; P396-N479 PolarHBondContact O-ND2 3.46Å; F398-N479 HydrophobicContact CE2-CB 4.01Å; F398-N479 HydrophobicContact CZ-CB 4.45Å; L472-N479 PolarHBondContact N-O 3.29Å; L472-N479 PolarHBondContact O-N 3.16Å |
| 480 | I | 85.2 | Confident | 81 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124 | -168.4 | -53.9 | -176.1 | 0 | 0 | 0 | 108.9 | I471 I478 | I471-I480 HydrophobicContact CD1-CD1 4.01Å; I471-I480 HydrophobicContact CD1-CG1 4.22Å; I471-I480 HydrophobicContact CG1-CD1 4.39Å; I471-I480 HydrophobicContact CG1-CG1 4.04Å; I471-I480 HydrophobicContact CG1-CG2 4.15Å; I471-I480 HydrophobicContact CG2-CG1 4.39Å; I478-I480 HydrophobicContact CG2-CD1 4.17Å; I478-I480 HydrophobicContact CG2-CG1 3.89Å |
| 481 | I | 82.8 | Confident | 80.2 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.4 | 173.1 | -166.1 | 147.4 | 0 | 0 | 0 | 110.4 | F398 Y401 P402 Q469 C470 | F398-I481 HydrophobicContact CD1-CG2 4.05Å; F398-I481 HydrophobicContact CD2-CG2 4.5Å; F398-I481 HydrophobicContact CE1-CB 4.33Å; F398-I481 HydrophobicContact CE1-CG2 3.47Å; F398-I481 VanDerWaalsContact CE1-CG2 3.47Å; F398-I481 HydrophobicContact CE2-CB 3.93Å; F398-I481 HydrophobicContact CE2-CG2 3.98Å; F398-I481 HydrophobicContact CZ-CB 3.82Å; F398-I481 HydrophobicContact CZ-CG2 3.45Å; F398-I481 VanDerWaalsContact CZ-CG2 3.45Å; Y401-I481 HydrophobicContact CD1-CD1 4.48Å; Y401-I481 HydrophobicContact CD2-CD1 4.02Å; Y401-I481 HydrophobicContact CG-CD1 3.81Å; P402-I481 HydrophobicContact CG-CG2 4.26Å; Q469-I481 CarbonylContact C-O 3.57Å; Q469-I481 VanDerWaalsContact CA-O 3.27Å; Q469-I481 WeakPolarHBondContact CA-O 3.42Å; C470-I481 HydrophobicContact CB-CG2 3.9Å; C470-I481 PolarHBondContact N-O 2.93Å; C470-I481 PolarHBondContact O-N 2.86Å |
| 482 | N | 81.3 | Confident | 79.6 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.5 | -174.8 | -52.8 | -69.1 | 0 | 0 | 0 | 109.7 | V467 Q469 | V467-N482 HydrophobicContact CG1-CB 3.97Å; Q469-N482 WeakPolarHBondContact CG-OD1 3.47Å; Q469-N482 PolarHBondContact NE2-OD1 3.29Å |
| 483 | A | 81 | Confident | 78.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | P402 N404 F468 | P402-A483 HydrophobicContact CB-CB 3.62Å; P402-A483 HydrophobicContact CG-CB 3.84Å; N404-A483 WeakPolarHBondContact OD1-CA 3.24Å; F468-A483 PolarHBondContact N-O 3.01Å; F468-A483 PolarHBondContact O-N 3.44Å |
| 484 | Y | 81 | Confident | 78.5 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.4 | 177.1 | -178.1 | -140 | 0 | 0 | 0 | 111.3 | V24 P26 N404 T405 H486 | V24-Y484 VanDerWaalsContact O-CE1 3.28Å; V24-Y484 WeakPolarHBondContact O-CE1 3.12Å; P26-Y484 HydrophobicContact CB-CD2 4.37Å; P26-Y484 VanDerWaalsContact CD-CD1 3.44Å; P26-Y484 HydrophobicContact CG-CD1 4.17Å; P26-Y484 HydrophobicContact CG-CD2 3.47Å; P26-Y484 VanDerWaalsContact CG-CD2 3.47Å; P26-Y484 HydrophobicContact CG-CE2 4.12Å; P26-Y484 HydrophobicContact CG-CG 3.49Å; P26-Y484 VanDerWaalsContact CG-CG 3.49Å; N404-Y484 CarbonylContact C-O 3.53Å; N404-Y484 VanDerWaalsContact CA-O 3.23Å; N404-Y484 WeakPolarHBondContact CA-O 3.45Å; N404-Y484 PolarHBondContact OD1-N 2.86Å; T405-Y484 PolarHBondContact N-O 2.86Å; Y484-H486 HydrophobicContact CD1-CB 4.37Å; Y484-H486 HydrophobicContact CE1-CB 3.77Å; Y484-H486 HydrophobicContact CE2-CB 4.47Å; Y484-H486 PolarHBondContact OH-CD2 2.88Å |
| 485 | I | 82.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.9 | 168.3 | -58.8 | -49.3 | 0 | 0 | 0 | 108.6 | I413 L415 S465 A466 F468 V487 | I413-I485 HydrophobicContact CD1-CD1 3.26Å; I413-I485 HydrophobicContact CD1-CG1 3.87Å; I413-I485 HydrophobicContact CD1-CG2 4.28Å; L415-I485 HydrophobicContact CD1-CG1 4.46Å; L415-I485 HydrophobicContact CD2-CD1 3.98Å; L415-I485 HydrophobicContact CD2-CG1 4.23Å; S465-I485 CarbonylContact C-O 3.56Å; S465-I485 WeakPolarHBondContact CA-O 2.98Å; A466-I485 PolarHBondContact N-O 3.09Å; A466-I485 PolarHBondContact O-N 3.26Å; F468-I485 HydrophobicContact CD2-CB 3.91Å; F468-I485 HydrophobicContact CD2-CG1 3.55Å; F468-I485 HydrophobicContact CE2-CB 3.87Å; F468-I485 HydrophobicContact CE2-CG1 3.87Å; F468-I485 HydrophobicContact CE2-CG2 4.49Å; F468-I485 HydrophobicContact CG-CG1 4.39Å; I485-V487 HydrophobicContact CG2-CG2 4.46Å |
| 486 | H | 75.8 | Confident | 77.3 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.5 | 179.4 | -176.7 | -138.5 | 0 | 0 | 0 | 109.5 | T405 I406 L407 Y484 W488 | T405-H486 PolarHBondContact O-N 2.89Å; I406-H486 VanDerWaalsContact CA-O 3.32Å; I406-H486 WeakPolarHBondContact CA-O 3.34Å; I406-H486 HydrophobicContact CG1-CB 4.39Å; L407-H486 PolarHBondContact N-O 3.06Å; Y484-H486 HydrophobicContact CD1-CB 4.37Å; Y484-H486 HydrophobicContact CE1-CB 3.77Å; Y484-H486 HydrophobicContact CE2-CB 4.47Å; Y484-H486 PolarHBondContact OH-CD2 2.88Å; H486-W488 AromaticContact CE1-CD2 3.84Å; H486-W488 AromaticContact CE1-CE3 3.74Å; H486-W488 AromaticContact CE1-CG 3.85Å; H486-W488 AromaticContact ND1-CE3 3.9Å |
| 487 | V | 74.4 | Confident | 77.1 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.9 | -177.6 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | L407 E409 L460 T461 S465 I485 | L407-V487 CarbonylContact O-C 3.52Å; L407-V487 WeakPolarHBondContact O-CA 3.26Å; E409-V487 HydrophobicContact CB-CG1 4.35Å; E409-V487 HydrophobicContact CG-CG1 3.63Å; L460-V487 HydrophobicContact CB-CG1 4.18Å; L460-V487 HydrophobicContact CB-CG2 4.13Å; L460-V487 HydrophobicContact CD1-CG2 4.47Å; L460-V487 HydrophobicContact CD2-CG2 4.41Å; T461-V487 WeakPolarHBondContact O-CG2 3.34Å; S465-V487 PolarHBondContact OG-N 3.22Å; I485-V487 HydrophobicContact CG2-CG2 4.46Å |
| 488 | W | 66.3 | Low | 77.5 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | trans | -146.9 | 126.7 | -168.6 | -173.7 | 28.7 | 0 | 0 | 0 | 112.9 | V21 I406 L407 H486 Q490 S519 | V21-W488 HydrophobicContact CG1-CH2 3.91Å; V21-W488 HydrophobicContact CG1-CZ2 4.09Å; I406-W488 HydrophobicContact CG2-CB 4.07Å; I406-W488 HydrophobicContact CG2-CE3 4.14Å; L407-W488 PolarHBondContact O-N 3.02Å; H486-W488 AromaticContact CE1-CD2 3.84Å; H486-W488 AromaticContact CE1-CE3 3.74Å; H486-W488 AromaticContact CE1-CG 3.85Å; H486-W488 AromaticContact ND1-CE3 3.9Å; W488-Q490 HydrophobicContact CZ2-CG 4.48Å; W488-Q490 VanDerWaalsContact CZ2-NE2 3.35Å; W488-S519 WeakPolarHBondContact O-CB 3.42Å; W488-S519 PolarHBondContact O-OG 2.85Å | ||
| 489 | N | 70.2 | Confident | 76.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | trans | -97.5 | 132.1 | 176.4 | -58.7 | -32.5 | 0 | 0 | 0 | 110.1 | P408 E409 F573 | P408-N489 WeakPolarHBondContact CA-OD1 3.25Å; P408-N489 WeakPolarHBondContact CB-OD1 3.43Å; E409-N489 PolarHBondContact N-OD1 2.77Å; N489-F573 HydrophobicContact CB-CD2 4.19Å; N489-F573 HydrophobicContact CB-CE1 4.17Å; N489-F573 HydrophobicContact CB-CE2 3.59Å; N489-F573 HydrophobicContact CB-CZ 3.58Å; N489-F573 VanDerWaalsContact CG-CZ 3.5Å; N489-F573 WeakPolarHBondContact OD1-CZ 3.34Å | ||
| 490 | Q | 64.2 | Low | 76.4 | Confident | 38 Ų | 38 | 43.6 Ų | 43.6 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 130.6 | -179.5 | -162.4 | 174.9 | 34.1 | 0 | 0 | 113.1 | W488 F517 S519 N571 | W488-Q490 HydrophobicContact CZ2-CG 4.48Å; W488-Q490 VanDerWaalsContact CZ2-NE2 3.35Å; Q490-F517 HydrophobicContact CG-CD2 4.5Å; Q490-F517 HydrophobicContact CG-CE2 4.4Å; Q490-S519 PolarHBondContact N-O 2.74Å; Q490-S519 CarbonylContact O-C 3.5Å; Q490-S519 PolarHBondContact O-N 3.13Å; Q490-N571 PolarHBondContact O-ND2 2.91Å |
| 491 | P | 74.8 | Confident | 76.2 | Confident | 65 Ų | 65 | 47 Ų | 47 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 170.1 | 176.1 | 32.6 | -37.3 | 0 | 0 | 0 | 112.6 | F573 | P491-F573 HydrophobicContact CB-CB 4.18Å |
| 492 | P | 76.5 | Confident | 75.9 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.071 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.5 | 178.7 | -13.4 | 31.2 | 0 | 0 | 0 | 111.4 | F517 A522 A569 N571 G574 | P492-F517 WeakPolarHBondContact CA-O 3.39Å; P492-A522 HydrophobicContact CB-CB 3.78Å; P492-A522 HydrophobicContact CG-CB 3.9Å; P492-A569 HydrophobicContact CB-CB 4.48Å; P492-N571 VanDerWaalsContact CD-OD1 3.31Å; P492-N571 WeakPolarHBondContact CD-OD1 3.43Å; P492-N571 HydrophobicContact CG-CB 3.99Å; P492-G574 WeakPolarHBondContact CD-O 3.23Å; P492-G574 VanDerWaalsContact CG-O 3.29Å; P492-G574 WeakPolarHBondContact CG-O 3.38Å |
| 493 | A | 75.7 | Confident | 75.9 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | T516 F517 | A493-T516 CarbonylContact O-C 3.4Å; A493-T516 WeakPolarHBondContact O-CA 3.32Å; A493-T516 WeakPolarHBondContact O-CB 3.34Å; A493-F517 HydrophobicContact CB-CD1 4.27Å; A493-F517 HydrophobicContact CB-CE1 3.65Å; A493-F517 HydrophobicContact CB-CE2 3.95Å; A493-F517 HydrophobicContact CB-CZ 3.49Å; A493-F517 VanDerWaalsContact CB-CZ 3.49Å; A493-F517 PolarHBondContact N-O 2.74Å; A493-F517 PolarHBondContact O-N 2.91Å |
| 494 | F | 79 | Confident | 75.9 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.9 | -178.9 | -64.5 | -66.8 | 0 | 0 | 0 | 111.6 | V497 C514 E515 T516 A569 S576 Q577 | F494-V497 HydrophobicContact CB-CG1 3.6Å; F494-V497 HydrophobicContact CD2-CG1 3.85Å; F494-V497 HydrophobicContact CG-CG1 3.86Å; F494-C514 WeakPolarHBondContact CE1-SG 3.47Å; F494-E515 CarbonylContact C-O 3.58Å; F494-E515 WeakPolarHBondContact CA-O 3.46Å; F494-T516 HydrophobicContact CD1-CG2 3.27Å; F494-T516 HydrophobicContact CE1-CG2 3.42Å; F494-T516 VanDerWaalsContact CE1-CG2 3.42Å; F494-T516 HydrophobicContact CG-CG2 4.15Å; F494-T516 HydrophobicContact CZ-CG2 4.43Å; F494-A569 HydrophobicContact CE1-CB 4.15Å; F494-A569 HydrophobicContact CZ-CB 4.35Å; F494-S576 WeakPolarHBondContact CD2-OG 3.27Å; F494-S576 WeakPolarHBondContact CE2-OG 3.4Å; F494-Q577 WeakPolarHBondContact CE2-O 3.27Å |
| 495 | I | 76.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.9 | -44.1 | 163 | -52.9 | 169.7 | 0 | 0 | 0 | 107.9 | E515 F517 | I495-E515 HydrophobicContact CB-CB 4.2Å; I495-E515 HydrophobicContact CD1-CB 4.32Å; I495-E515 PolarHBondContact N-O 3.43Å; I495-F517 HydrophobicContact CG1-CB 4.42Å; I495-F517 HydrophobicContact CG1-CD1 4.08Å |
| 496 | H | 72.2 | Confident | 76 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -134.2 | 137.1 | 179.2 | -61.4 | 121 | 0 | 0 | 0 | 110.7 | P513 E515 | H496-P513 HydrophobicContact CB-CB 3.81Å; H496-P513 HydrophobicContact CB-CG 4.44Å; H496-E515 IonicContact CE1-OE2 3.21Å; H496-E515 PolarHBondContact CE1-OE2 2.98Å; H496-E515 IonicContact CG-OE2 3.93Å; H496-E515 IonicContact ND1-OE2 2.78Å; H496-E515 PolarHBondContact ND1-OE2 2.76Å |
| 497 | V | 78.3 | Confident | 76 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | trans | -115.1 | 154.3 | -177.8 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | F494 H499 P513 S578 | F494-V497 HydrophobicContact CB-CG1 3.6Å; F494-V497 HydrophobicContact CD2-CG1 3.85Å; F494-V497 HydrophobicContact CG-CG1 3.86Å; V497-H499 PolarHBondContact O-CE1 2.84Å; V497-H499 PolarHBondContact O-N 3.16Å; V497-H499 PolarHBondContact O-ND1 3.43Å; V497-P513 WeakPolarHBondContact O-CG 3.43Å; V497-S578 WeakPolarHBondContact CB-OG 3.39Å | ||
| 498 | I | 84.4 | Confident | 76.4 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | trans | -63.8 | 133.3 | 176.4 | -47.6 | 170.6 | 0 | 0 | 0 | 109.3 | L512 P513 W526 C567 S578 | I498-L512 HydrophobicContact CG2-CD2 3.91Å; I498-P513 WeakPolarHBondContact CG1-O 3.42Å; I498-W526 HydrophobicContact CD1-CE3 4.43Å; I498-W526 HydrophobicContact CD1-CH2 3.63Å; I498-W526 HydrophobicContact CD1-CZ3 3.4Å; I498-W526 VanDerWaalsContact CD1-CZ3 3.4Å; I498-W526 HydrophobicContact CG1-CH2 3.88Å; I498-W526 HydrophobicContact CG1-CZ3 4.16Å; I498-C567 HydrophobicContact CD1-CB 4.06Å; I498-S578 PolarHBondContact N-OG 3.28Å | ||
| 499 | H | 68.7 | Low | 77.4 | Confident | 124 Ų | 124 | 62 Ų | 62 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | trans | -95.9 | 97.7 | -174.7 | -72 | 76.4 | 0 | 0 | 0 | 112.1 | V497 I501 | V497-H499 PolarHBondContact O-CE1 2.84Å; V497-H499 PolarHBondContact O-N 3.16Å; V497-H499 PolarHBondContact O-ND1 3.43Å; H499-I501 PolarHBondContact O-N 3.42Å; H499-I501 VanDerWaalsContact O-N 3.16Å | ||
| 500 | G | 73.5 | Confident | 78.2 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 51.3 | -111.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116 | G580 I581 | G500-G580 CarbonylContact O-C 3.58Å; G500-G580 VanDerWaalsContact O-CA 3.27Å; G500-G580 WeakPolarHBondContact O-CA 3.26Å; G500-I581 PolarHBondContact O-N 3.01Å |
| 501 | I | 81.2 | Confident | 79.3 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.3 | 176.1 | -61.9 | 174.6 | 0 | 0 | 0 | 108.1 | H499 Y503 I581 F583 | H499-I501 PolarHBondContact O-N 3.42Å; H499-I501 VanDerWaalsContact O-N 3.16Å; I501-Y503 HydrophobicContact CG2-CD2 4.46Å; I501-Y503 HydrophobicContact CG2-CE2 3.87Å; I501-I581 CarbonylContact C-O 3.53Å; I501-I581 WeakPolarHBondContact CA-O 3.26Å; I501-I581 HydrophobicContact CG1-CB 4.22Å; I501-F583 HydrophobicContact CG2-CD2 3.48Å; I501-F583 VanDerWaalsContact CG2-CD2 3.48Å; I501-F583 HydrophobicContact CG2-CE2 3.58Å |
| 502 | Q | 76.6 | Confident | 80 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.1 | 178.6 | -62.8 | -176.8 | -24.3 | 0 | 0 | 111 | I510 I581 L582 F583 | Q502-I510 HydrophobicContact CB-CD1 4.12Å; Q502-I581 PolarHBondContact N-O 3.02Å; Q502-L582 HydrophobicContact CB-CD1 4.02Å; Q502-L582 CarbonylContact O-C 3.53Å; Q502-F583 PolarHBondContact O-N 3.06Å |
| 503 | Y | 80.6 | Confident | 80.5 | Confident | 145 Ų | 145 | 59.6 Ų | 59.6 | 57% | 0.569 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.7 | 175.4 | -68 | -81.2 | 0 | 0 | 0 | 110.2 | I501 F583 | I501-Y503 HydrophobicContact CG2-CD2 4.46Å; I501-Y503 HydrophobicContact CG2-CE2 3.87Å; Y503-F583 CarbonylContact C-O 3.56Å; Y503-F583 WeakPolarHBondContact CA-O 3.18Å; Y503-F583 HydrophobicContact CD1-CB 3.53Å; Y503-F583 HydrophobicContact CD1-CD2 4.1Å; Y503-F583 HydrophobicContact CD1-CG 4.2Å; Y503-F583 HydrophobicContact CE1-CB 3.68Å; Y503-F583 AromaticContact CE1-CD2 3.47Å; Y503-F583 HydrophobicContact CE1-CD2 3.47Å; Y503-F583 VanDerWaalsContact CE1-CD2 3.47Å; Y503-F583 HydrophobicContact CE1-CE2 4.33Å; Y503-F583 AromaticContact CE1-CG 3.84Å; Y503-F583 HydrophobicContact CE1-CG 3.84Å; Y503-F583 HydrophobicContact CG-CB 4.44Å; Y503-F583 AromaticContact CZ-CD2 3.78Å |
| 504 | I | 81.5 | Confident | 81.1 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160.5 | -176.6 | -157.8 | -174.1 | 0 | 0 | 0 | 111.4 | Q508 I510 A557 L582 F583 I584 R585 | I504-Q508 HydrophobicContact CD1-CB 3.56Å; I504-Q508 HydrophobicContact CG1-CB 3.66Å; I504-Q508 HydrophobicContact CG1-CG 4.44Å; I504-I510 HydrophobicContact CD1-CB 3.66Å; I504-I510 HydrophobicContact CD1-CD1 4.25Å; I504-I510 HydrophobicContact CD1-CG2 3.86Å; I504-A557 HydrophobicContact CD1-CB 3.86Å; I504-A557 HydrophobicContact CG2-CB 3.69Å; I504-L582 HydrophobicContact CG2-CD1 4.03Å; I504-F583 PolarHBondContact N-O 3.31Å; I504-I584 HydrophobicContact CG2-CB 4.27Å; I504-I584 HydrophobicContact CG2-CD1 4.5Å; I504-I584 HydrophobicContact CG2-CG1 3.52Å; I504-I584 HydrophobicContact CG2-CG2 4.44Å; I504-I584 CarbonylContact O-C 3.02Å; I504-I584 VanDerWaalsContact O-CA 3.31Å; I504-I584 WeakPolarHBondContact O-CA 3.21Å; I504-R585 PolarHBondContact O-N 2.83Å |
| 505 | I | 82.2 | Confident | 81.3 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145.5 | 175.4 | -52 | 178.3 | 0 | 0 | 0 | 110.2 | G507 Q508 Q587 D701 | I505-G507 PolarHBondContact O-N 2.75Å; I505-Q508 HydrophobicContact CB-CG 4.23Å; I505-Q508 WeakPolarHBondContact O-CB 3.35Å; I505-Q508 PolarHBondContact O-N 3.39Å; I505-Q508 VanDerWaalsContact O-N 3.12Å; I505-Q587 HydrophobicContact CG2-CB 3.75Å; I505-Q587 HydrophobicContact CG2-CG 4.01Å; I505-D701 HydrophobicContact CD1-CB 4.09Å |
| 506 | E | 83.3 | Confident | 81.4 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 121.1 | 176 | 178.5 | 179.1 | -103 | 0 | 0 | 110.6 | A557 I584 R585 R589 | E506-A557 CarbonylContact C-O 3.43Å; E506-A557 VanDerWaalsContact CA-O 3.29Å; E506-A557 WeakPolarHBondContact CA-O 3.45Å; E506-I584 HydrophobicContact CB-CG2 4.22Å; E506-R585 WeakPolarHBondContact CA-O 3.45Å; E506-R585 WeakPolarHBondContact CB-O 3.29Å; E506-R585 PolarHBondContact N-O 2.87Å; E506-R589 IonicContact OE2-CZ 2.67Å; E506-R589 IonicContact OE2-NH2 3.97Å; E506-R589 PolarHBondContact OE2-NH2 3Å |
| 507 | G | 77.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 45% | 0.454 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | -18.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I505 S556 A557 | I505-G507 PolarHBondContact O-N 2.75Å; G507-S556 WeakPolarHBondContact CA-OG 3.46Å; G507-S556 PolarHBondContact O-OG 2.68Å; G507-A557 PolarHBondContact N-O 3.23Å |
| 508 | Q | 82.6 | Confident | 80.9 | Confident | 96 Ų | 96 | 52.2 Ų | 52.2 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | trans | -71 | 154.6 | 177.9 | -70.2 | 178.3 | -35.9 | 0 | 0 | 112.5 | I504 I505 A557 | I504-Q508 HydrophobicContact CD1-CB 3.56Å; I504-Q508 HydrophobicContact CG1-CB 3.66Å; I504-Q508 HydrophobicContact CG1-CG 4.44Å; I505-Q508 HydrophobicContact CB-CG 4.23Å; I505-Q508 WeakPolarHBondContact O-CB 3.35Å; I505-Q508 PolarHBondContact O-N 3.39Å; I505-Q508 VanDerWaalsContact O-N 3.12Å; Q508-A557 VanDerWaalsContact O-CB 3.31Å; Q508-A557 WeakPolarHBondContact O-CB 3.49Å; Q508-A557 PolarHBondContact O-N 3.01Å | ||
| 509 | E | 86.6 | Confident | 79.8 | Confident | 138 Ų | 138 | 52.4 Ų | 52.4 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | trans | -86.1 | 148.9 | 172.5 | 65.7 | -175.9 | -170.7 | 0 | 0 | 111.5 | H553 I554 | E509-H553 IonicContact OE2-NE2 2.68Å; E509-I554 WeakPolarHBondContact CA-O 3.16Å | ||
| 510 | I | 85.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.9 | 172.5 | -170.2 | 160.6 | 0 | 0 | 0 | 113 | Q502 I504 H553 I554 L582 | Q502-I510 HydrophobicContact CB-CD1 4.12Å; I504-I510 HydrophobicContact CD1-CB 3.66Å; I504-I510 HydrophobicContact CD1-CD1 4.25Å; I504-I510 HydrophobicContact CD1-CG2 3.86Å; I510-H553 CarbonylContact O-C 3.24Å; I510-H553 WeakPolarHBondContact O-CA 3.4Å; I510-I554 HydrophobicContact CG2-CB 3.9Å; I510-I554 HydrophobicContact CG2-CD1 4.2Å; I510-I554 HydrophobicContact CG2-CG1 4.36Å; I510-I554 PolarHBondContact N-O 2.83Å; I510-I554 PolarHBondContact O-N 3.33Å; I510-L582 HydrophobicContact CD1-CD1 4.01Å; I510-L582 HydrophobicContact CG2-CD1 4.44Å; I510-L582 HydrophobicContact CG2-CD2 4.34Å |
| 511 | L | 88.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.8 | -177.1 | -178.6 | 160.4 | 0 | 0 | 0 | 109.7 | P513 N551 | L511-P513 HydrophobicContact CD2-CB 4.49Å; L511-N551 HydrophobicContact CD1-CB 4.44Å; L511-N551 HydrophobicContact CD2-CB 3.79Å; L511-N551 HydrophobicContact CG-CB 3.99Å |
| 512 | L | 89.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.2 | 176.5 | -62.5 | 163.8 | 0 | 0 | 0 | 108.4 | I498 W526 N551 L552 I554 Y565 | I498-L512 HydrophobicContact CG2-CD2 3.91Å; L512-W526 HydrophobicContact CB-CH2 3.49Å; L512-W526 VanDerWaalsContact CB-CH2 3.49Å; L512-W526 HydrophobicContact CB-CZ2 4.41Å; L512-W526 HydrophobicContact CB-CZ3 3.86Å; L512-W526 HydrophobicContact CD1-CZ3 4.27Å; L512-W526 VanDerWaalsContact O-CH2 3.27Å; L512-W526 WeakPolarHBondContact O-CH2 3.29Å; L512-W526 VanDerWaalsContact O-CZ2 3.27Å; L512-W526 WeakPolarHBondContact O-CZ2 3.47Å; L512-N551 CarbonylContact O-C 3.56Å; L512-N551 WeakPolarHBondContact O-CA 3.43Å; L512-L552 HydrophobicContact CB-CB 4.28Å; L512-L552 WeakPolarHBondContact CB-O 3.32Å; L512-L552 HydrophobicContact CD1-CD2 4Å; L512-L552 HydrophobicContact CD1-CG 4.37Å; L512-L552 PolarHBondContact N-O 2.82Å; L512-L552 PolarHBondContact O-N 2.79Å; L512-I554 HydrophobicContact CD1-CD1 4.04Å; L512-Y565 HydrophobicContact CD1-CD1 3.94Å; L512-Y565 HydrophobicContact CD1-CD2 3.85Å; L512-Y565 HydrophobicContact CD1-CE1 4.35Å; L512-Y565 HydrophobicContact CD1-CE2 4.27Å; L512-Y565 HydrophobicContact CD1-CG 3.67Å |
| 513 | P | 87.2 | Confident | 79.7 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | trans | -78.2 | 144.8 | -172.1 | 30.4 | -36.4 | 0 | 0 | 0 | 113.3 | H496 V497 I498 L511 N551 | H496-P513 HydrophobicContact CB-CB 3.81Å; H496-P513 HydrophobicContact CB-CG 4.44Å; V497-P513 WeakPolarHBondContact O-CG 3.43Å; I498-P513 WeakPolarHBondContact CG1-O 3.42Å; L511-P513 HydrophobicContact CD2-CB 4.49Å; P513-N551 VanDerWaalsContact CA-OD1 3.28Å; P513-N551 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 514 | C | 86.9 | Confident | 80 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -152.5 | 31.1 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | F494 W526 N551 C567 | F494-C514 WeakPolarHBondContact CE1-SG 3.47Å; C514-W526 HydrophobicContact CB-CH2 4.08Å; C514-W526 HydrophobicContact CB-CZ2 3.35Å; C514-N551 PolarHBondContact N-OD1 2.98Å; C514-C567 HydrophobicContact CB-CB 3.69Å; C514-C567 WeakPolarHBondContact CB-SG 3.07Å; C514-C567 WeakPolarHBondContact SG-CB 3Å; C514-C567 CovalentContact SG-SG 2.02Å; C514-C567 PolarHBondContact SG-SG 3.03Å | ||
| 515 | E | 84.1 | Confident | 80.3 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 20% | 0.201 | 27% | 0.273 | C | S | . | . | trans | -68 | 137.4 | -177.5 | -49 | -170.1 | 138 | 0 | 0 | 111.4 | F494 I495 H496 N549 N551 | F494-E515 CarbonylContact C-O 3.58Å; F494-E515 WeakPolarHBondContact CA-O 3.46Å; I495-E515 HydrophobicContact CB-CB 4.2Å; I495-E515 HydrophobicContact CD1-CB 4.32Å; I495-E515 PolarHBondContact N-O 3.43Å; H496-E515 IonicContact CE1-OE2 3.21Å; H496-E515 PolarHBondContact CE1-OE2 2.98Å; H496-E515 IonicContact CG-OE2 3.93Å; H496-E515 IonicContact ND1-OE2 2.78Å; H496-E515 PolarHBondContact ND1-OE2 2.76Å; E515-N549 WeakPolarHBondContact CA-O 3.19Å; E515-N549 HydrophobicContact CG-CB 3.98Å; E515-N549 WeakPolarHBondContact OE1-CB 3.48Å; E515-N549 VanDerWaalsContact OE1-CG 3.27Å; E515-N549 PolarHBondContact OE1-ND2 2.83Å; E515-N551 WeakPolarHBondContact CG-OD1 3.47Å; E515-N551 PolarHBondContact OE1-ND2 3.07Å | ||
| 516 | T | 77.9 | Confident | 80.7 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.7 | -177.2 | 56 | 0 | 0 | 0 | 0 | 114.4 | A493 F494 A569 | A493-T516 CarbonylContact O-C 3.4Å; A493-T516 WeakPolarHBondContact O-CA 3.32Å; A493-T516 WeakPolarHBondContact O-CB 3.34Å; F494-T516 HydrophobicContact CD1-CG2 3.27Å; F494-T516 HydrophobicContact CE1-CG2 3.42Å; F494-T516 VanDerWaalsContact CE1-CG2 3.42Å; F494-T516 HydrophobicContact CG-CG2 4.15Å; F494-T516 HydrophobicContact CZ-CG2 4.43Å; T516-A569 HydrophobicContact CG2-CB 3.62Å |
| 517 | F | 71.8 | Confident | 81 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 154.1 | 162.6 | 71.6 | -96.5 | 0 | 0 | 0 | 111.4 | Q490 P492 A493 I495 | Q490-F517 HydrophobicContact CG-CD2 4.5Å; Q490-F517 HydrophobicContact CG-CE2 4.4Å; P492-F517 WeakPolarHBondContact CA-O 3.39Å; A493-F517 HydrophobicContact CB-CD1 4.27Å; A493-F517 HydrophobicContact CB-CE1 3.65Å; A493-F517 HydrophobicContact CB-CE2 3.95Å; A493-F517 HydrophobicContact CB-CZ 3.49Å; A493-F517 VanDerWaalsContact CB-CZ 3.49Å; A493-F517 PolarHBondContact N-O 2.74Å; A493-F517 PolarHBondContact O-N 2.91Å; I495-F517 HydrophobicContact CG1-CB 4.42Å; I495-F517 HydrophobicContact CG1-CD1 4.08Å |
| 518 | G | 68.1 | Low | 81.5 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 22% | 0.216 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | 157.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P520 Q521 | G518-P520 VanDerWaalsContact C-C 3.49Å; G518-P520 CarbonylContact C-O 3.44Å; G518-P520 CarbonylContact O-C 3.59Å; G518-Q521 PolarHBondContact O-N 3.36Å |
| 519 | S | 61.4 | Low | 81.7 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 103 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | W488 Q490 F573 | W488-S519 WeakPolarHBondContact O-CB 3.42Å; W488-S519 PolarHBondContact O-OG 2.85Å; Q490-S519 PolarHBondContact N-O 2.74Å; Q490-S519 CarbonylContact O-C 3.5Å; Q490-S519 PolarHBondContact O-N 3.13Å; S519-F573 WeakPolarHBondContact O-CD2 3.48Å; S519-F573 WeakPolarHBondContact O-CE2 3.33Å |
| 520 | P | 65.1 | Low | 81.3 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -61 | 164.3 | -2.7 | -22.5 | 33.4 | 0 | 0 | 0 | 115.4 | P408 G518 N571 I572 | P408-P520 HydrophobicContact CG-CG 4.24Å; G518-P520 VanDerWaalsContact C-C 3.49Å; G518-P520 CarbonylContact C-O 3.44Å; G518-P520 CarbonylContact O-C 3.59Å; P520-N571 PolarHBondContact O-ND2 3.4Å; P520-I572 HydrophobicContact CG-CD1 3.89Å; P520-I572 HydrophobicContact CG-CG1 4.05Å |
| 521 | Q | 69.6 | Low | 81.1 | Confident | 144 Ų | 144 | 57 Ų | 57 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 148.5 | 169.7 | -173.7 | 175.3 | -0.4 | 0 | 0 | 111.3 | G518 | G518-Q521 PolarHBondContact O-N 3.36Š|
| 522 | A | 78.3 | Confident | 80.7 | Confident | 9 Ų | 9 | 58 Ų | 58 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 145 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P492 A569 S570 N571 | P492-A522 HydrophobicContact CB-CB 3.78Å; P492-A522 HydrophobicContact CG-CB 3.9Å; A522-A569 HydrophobicContact CB-CB 4.09Å; A522-S570 CarbonylContact C-O 3.34Å; A522-S570 WeakPolarHBondContact CA-O 3.4Å; A522-N571 HydrophobicContact CB-CB 4.34Å |
| 523 | E | 85.1 | Confident | 80.2 | Confident | 152 Ų | 152 | 60 Ų | 60 | 71% | 0.71 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.7 | 166.8 | -178.3 | 176.9 | -162.9 | 0 | 0 | 109.4 | A569 S570 | E523-A569 CarbonylContact O-C 3.59Å; E523-A569 VanDerWaalsContact O-CA 3.23Å; E523-A569 WeakPolarHBondContact O-CA 3.33Å; E523-S570 PolarHBondContact N-O 2.89Å; E523-S570 PolarHBondContact O-N 2.84Å |
| 524 | I | 87.3 | Confident | 78.6 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.4 | -167.4 | -59.8 | 177 | 0 | 0 | 0 | 110.6 | C567 K568 A569 | I524-C567 WeakPolarHBondContact CG2-SG 3.46Å; I524-K568 CarbonylContact C-O 3.55Å; I524-A569 HydrophobicContact CG1-CB 4.06Å |
| 525 | S | 87.3 | Confident | 76.9 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.6 | -172.8 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | C567 K568 | S525-C567 CarbonylContact O-C 3.25Å; S525-C567 WeakPolarHBondContact O-CA 3.37Å; S525-K568 PolarHBondContact N-O 3.46Å; S525-K568 PolarHBondContact O-N 2.81Å; S525-K568 PolarHBondContact OG-O 2.99Å |
| 526 | W | 90.9 | Very high | 75.1 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.1 | -174.9 | -77.6 | 90.2 | 0 | 0 | 0 | 113.5 | I498 L512 C514 Q532 L533 I546 G550 L552 L566 C567 | I498-W526 HydrophobicContact CD1-CE3 4.43Å; I498-W526 HydrophobicContact CD1-CH2 3.63Å; I498-W526 HydrophobicContact CD1-CZ3 3.4Å; I498-W526 VanDerWaalsContact CD1-CZ3 3.4Å; I498-W526 HydrophobicContact CG1-CH2 3.88Å; I498-W526 HydrophobicContact CG1-CZ3 4.16Å; L512-W526 HydrophobicContact CB-CH2 3.49Å; L512-W526 VanDerWaalsContact CB-CH2 3.49Å; L512-W526 HydrophobicContact CB-CZ2 4.41Å; L512-W526 HydrophobicContact CB-CZ3 3.86Å; L512-W526 HydrophobicContact CD1-CZ3 4.27Å; L512-W526 VanDerWaalsContact O-CH2 3.27Å; L512-W526 WeakPolarHBondContact O-CH2 3.29Å; L512-W526 VanDerWaalsContact O-CZ2 3.27Å; L512-W526 WeakPolarHBondContact O-CZ2 3.47Å; C514-W526 HydrophobicContact CB-CH2 4.08Å; C514-W526 HydrophobicContact CB-CZ2 3.35Å; W526-Q532 WeakPolarHBondContact O-CG 3.12Å; W526-L533 HydrophobicContact CB-CB 4.43Å; W526-L533 HydrophobicContact CB-CD1 3.88Å; W526-L533 HydrophobicContact CB-CG 4.35Å; W526-L533 PolarHBondContact O-N 2.91Å; W526-I546 HydrophobicContact CB-CD1 4.48Å; W526-I546 HydrophobicContact CG-CD1 4.47Å; W526-G550 PolarHBondContact NE1-O 2.69Å; W526-L552 HydrophobicContact CD2-CB 3.52Å; W526-L552 HydrophobicContact CD2-CD2 3.85Å; W526-L552 HydrophobicContact CD2-CG 4.26Å; W526-L552 HydrophobicContact CE3-CB 3.76Å; W526-L552 HydrophobicContact CE3-CD2 3.52Å; W526-L552 HydrophobicContact CE3-CG 4.29Å; W526-L552 HydrophobicContact CG-CB 4.14Å; W526-L552 HydrophobicContact CG-CD2 4.28Å; W526-L552 HydrophobicContact CH2-CB 3.75Å; W526-L552 HydrophobicContact CZ2-CB 3.48Å; W526-L552 VanDerWaalsContact CZ2-CB 3.48Å; W526-L552 VanDerWaalsContact CZ2-N 3.3Å; W526-L552 HydrophobicContact CZ3-CB 3.85Å; W526-L552 HydrophobicContact CZ3-CD2 3.99Å; W526-L566 CarbonylContact C-O 3.43Å; W526-L566 WeakPolarHBondContact CA-O 3.2Å; W526-C567 HydrophobicContact CD2-CB 3.69Å; W526-C567 HydrophobicContact CE3-CB 3.76Å; W526-C567 HydrophobicContact CG-CB 4.43Å; W526-C567 HydrophobicContact CH2-CB 3.78Å; W526-C567 HydrophobicContact CZ2-CB 3.73Å; W526-C567 HydrophobicContact CZ3-CB 3.82Å; W526-C567 PolarHBondContact NE1-SG 2.78Å; W526-C567 VanDerWaalsContact NE1-SG 3.43Å |
| 527 | F | 89.2 | Confident | 73.7 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147 | -178.3 | -57.1 | -115.6 | 0 | 0 | 0 | 109.7 | K531 Q532 Y565 L566 K568 | F527-K531 CarbonylContact C-O 3.31Å; F527-K531 VanDerWaalsContact CA-O 3.24Å; F527-K531 WeakPolarHBondContact CA-O 3.31Å; F527-Q532 HydrophobicContact CD1-CB 3.61Å; F527-Q532 HydrophobicContact CD1-CG 4.22Å; F527-Q532 HydrophobicContact CE1-CB 3.57Å; F527-Q532 HydrophobicContact CE1-CG 3.98Å; F527-Q532 HydrophobicContact CE2-CG 4.37Å; F527-Q532 HydrophobicContact CG-CB 4.22Å; F527-Q532 HydrophobicContact CG-CG 4.49Å; F527-Q532 HydrophobicContact CZ-CB 4.15Å; F527-Q532 HydrophobicContact CZ-CG 4.04Å; F527-Y565 WeakPolarHBondContact O-CA 3.5Å; F527-L566 HydrophobicContact CB-CB 3.99Å; F527-L566 HydrophobicContact CB-CD2 4.06Å; F527-L566 HydrophobicContact CB-CG 4.16Å; F527-L566 HydrophobicContact CD1-CD2 4.27Å; F527-L566 HydrophobicContact CD2-CD2 3.87Å; F527-L566 HydrophobicContact CD2-CG 3.86Å; F527-L566 HydrophobicContact CE2-CD2 4.45Å; F527-L566 HydrophobicContact CG-CD2 3.83Å; F527-L566 HydrophobicContact CG-CG 4.14Å; F527-L566 PolarHBondContact N-O 2.96Å; F527-L566 PolarHBondContact O-N 3.18Å; F527-K568 HydrophobicContact CE2-CB 4.28Å; F527-K568 HydrophobicContact CE2-CD 4.48Å |
| 528 | F | 89 | Confident | 72.6 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.4 | 174.4 | 171.6 | -114.2 | 0 | 0 | 0 | 109.7 | E530 K531 L533 T564 Y565 | F528-E530 PolarHBondContact O-N 2.96Å; F528-K531 PolarHBondContact N-O 2.81Å; F528-K531 PolarHBondContact O-N 3.45Å; F528-L533 HydrophobicContact CB-CD2 3.66Å; F528-L533 HydrophobicContact CB-CG 4.31Å; F528-T564 CarbonylContact C-O 3.44Å; F528-T564 WeakPolarHBondContact CA-O 3.49Å; F528-Y565 HydrophobicContact CB-CD1 4.06Å; F528-Y565 HydrophobicContact CB-CE1 3.89Å; F528-Y565 AromaticContact CD2-CD1 3.88Å; F528-Y565 HydrophobicContact CD2-CD1 3.88Å; F528-Y565 HydrophobicContact CD2-CD2 4.16Å; F528-Y565 AromaticContact CD2-CE1 3.37Å; F528-Y565 HydrophobicContact CD2-CE1 3.37Å; F528-Y565 AromaticContact CD2-CE2 3.69Å; F528-Y565 HydrophobicContact CD2-CE2 3.69Å; F528-Y565 HydrophobicContact CD2-CG 4.25Å; F528-Y565 AromaticContact CD2-CZ 3.26Å; F528-Y565 HydrophobicContact CE2-CE1 4.13Å; F528-Y565 AromaticContact CE2-CE2 3.8Å; F528-Y565 HydrophobicContact CE2-CE2 3.8Å; F528-Y565 AromaticContact CE2-CZ 3.54Å; F528-Y565 WeakPolarHBondContact CE2-OH 3.43Å; F528-Y565 HydrophobicContact CG-CD1 4.41Å; F528-Y565 AromaticContact CG-CE1 3.91Å; F528-Y565 HydrophobicContact CG-CE1 3.91Å |
| 529 | N | 85.4 | Confident | 71.8 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 59.5 | -174.1 | -65.6 | -41.7 | 0 | 0 | 0 | 111.5 | K531 G563 T564 | N529-K531 PolarHBondContact O-N 3.44Å; N529-G563 WeakPolarHBondContact OD1-CA 3.3Å; N529-T564 PolarHBondContact N-O 3.27Å; N529-T564 PolarHBondContact OD1-N 3.18Å |
| 530 | E | 79.7 | Confident | 71 | Confident | 188 Ų | 188 | 88 Ų | 88 | 88% | 0.879 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -18.3 | -176.9 | -60.3 | 175.3 | -171.4 | 0 | 0 | 116.4 | F528 | F528-E530 PolarHBondContact O-N 2.96Š|
| 531 | K | 81.4 | Confident | 70.4 | Confident | 163 Ų | 163 | 92.8 Ų | 92.8 | 71% | 0.709 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.8 | 176.5 | -64.8 | 172.1 | -175.3 | 174.1 | 0 | 109.2 | F527 F528 N529 L533 | F527-K531 CarbonylContact C-O 3.31Å; F527-K531 VanDerWaalsContact CA-O 3.24Å; F527-K531 WeakPolarHBondContact CA-O 3.31Å; F528-K531 PolarHBondContact N-O 2.81Å; F528-K531 PolarHBondContact O-N 3.45Å; N529-K531 PolarHBondContact O-N 3.44Å; K531-L533 PolarHBondContact O-N 2.95Å |
| 532 | Q | 80.7 | Confident | 69.7 | Low | 93 Ų | 93 | 92.3 Ų | 92.3 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 138.5 | 167.7 | -170.8 | 172.9 | -17.7 | 0 | 0 | 109.3 | W526 F527 N534 | W526-Q532 WeakPolarHBondContact O-CG 3.12Å; F527-Q532 HydrophobicContact CD1-CB 3.61Å; F527-Q532 HydrophobicContact CD1-CG 4.22Å; F527-Q532 HydrophobicContact CE1-CB 3.57Å; F527-Q532 HydrophobicContact CE1-CG 3.98Å; F527-Q532 HydrophobicContact CE2-CG 4.37Å; F527-Q532 HydrophobicContact CG-CB 4.22Å; F527-Q532 HydrophobicContact CG-CG 4.49Å; F527-Q532 HydrophobicContact CZ-CB 4.15Å; F527-Q532 HydrophobicContact CZ-CG 4.04Å; Q532-N534 WeakPolarHBondContact CB-OD1 3.44Å; Q532-N534 VanDerWaalsContact CD-OD1 3.26Å; Q532-N534 VanDerWaalsContact CG-OD1 3.26Å; Q532-N534 WeakPolarHBondContact CG-OD1 3.21Å; Q532-N534 PolarHBondContact O-N 2.81Å |
| 533 | L | 77.1 | Confident | 69.3 | Low | 41 Ų | 41 | 92.6 Ų | 92.6 | 22% | 0.215 | 45% | 0.452 | C | S | . | . | trans | -70.4 | 74.8 | 172.6 | -69.7 | -176.1 | 0 | 0 | 0 | 108.3 | W526 F528 K531 T535 L552 | W526-L533 HydrophobicContact CB-CB 4.43Å; W526-L533 HydrophobicContact CB-CD1 3.88Å; W526-L533 HydrophobicContact CB-CG 4.35Å; W526-L533 PolarHBondContact O-N 2.91Å; F528-L533 HydrophobicContact CB-CD2 3.66Å; F528-L533 HydrophobicContact CB-CG 4.31Å; K531-L533 PolarHBondContact O-N 2.95Å; L533-T535 PolarHBondContact O-N 2.92Å; L533-L552 HydrophobicContact CD1-CD1 4.03Å; L533-L552 HydrophobicContact CD1-CD2 3.64Å | ||
| 534 | N | 54 | Low | 69.1 | Low | 76 Ų | 76 | 87 Ų | 87 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | trans | -76.1 | 117.8 | -162.3 | -91.7 | -20.9 | 0 | 0 | 0 | 111.6 | Q532 N538 | Q532-N534 WeakPolarHBondContact CB-OD1 3.44Å; Q532-N534 VanDerWaalsContact CD-OD1 3.26Å; Q532-N534 VanDerWaalsContact CG-OD1 3.26Å; Q532-N534 WeakPolarHBondContact CG-OD1 3.21Å; Q532-N534 PolarHBondContact O-N 2.81Å; N534-N538 PolarHBondContact O-ND2 3.44Å | ||
| 535 | T | 51 | Low | 68.7 | Low | 100 Ų | 100 | 88.7 Ų | 88.7 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | 62.7 | 173 | 155.8 | 51.8 | 0 | 0 | 0 | 0 | 116.5 | L533 E537 N538 | L533-T535 PolarHBondContact O-N 2.92Å; T535-E537 PolarHBondContact O-N 2.99Å; T535-N538 PolarHBondContact O-N 2.83Å; T535-N538 VanDerWaalsContact O-N 3.15Å |
| 536 | F | 47.5 | Very low | 68.4 | Low | 160 Ų | 160 | 90.7 Ų | 90.7 | 70% | 0.702 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -52.5 | -27.1 | -167.4 | -134.7 | -102.3 | 0 | 0 | 0 | 114.5 | M540 | F536-M540 HydrophobicContact CD1-CE 3.82Å; F536-M540 HydrophobicContact CE1-CE 3.62Å; F536-M540 WeakPolarHBondContact O-CG 3.19Å; F536-M540 PolarHBondContact O-N 2.76Å |
| 537 | E | 47.1 | Very low | 68 | Low | 161 Ų | 161 | 93.5 Ų | 93.5 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -73.8 | -28.9 | -176.3 | -59.2 | 177.9 | 143.4 | 0 | 0 | 113.6 | T535 | T535-E537 PolarHBondContact O-N 2.99Å |
| 538 | N | 49 | Very low | 67.4 | Low | 79 Ų | 79 | 102.1 Ų | 102.1 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -85.2 | -27.3 | 177.2 | -74.5 | -68.9 | 0 | 0 | 0 | 112.7 | N534 T535 M540 K541 | N534-N538 PolarHBondContact O-ND2 3.44Å; T535-N538 PolarHBondContact O-N 2.83Å; T535-N538 VanDerWaalsContact O-N 3.15Å; N538-M540 PolarHBondContact O-N 3.06Å; N538-K541 PolarHBondContact O-N 3.09Å |
| 539 | L | 51.8 | Low | 66.7 | Low | 86 Ų | 86 | 102.7 Ų | 102.7 | 45% | 0.45 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.1 | 170.1 | -73.2 | 159.4 | 0 | 0 | 0 | 112.7 | K541 | L539-K541 VanDerWaalsContact C-N 3.29Š|
| 540 | M | 44.5 | Very low | 66.5 | Low | 133 Ų | 133 | 99.4 Ų | 99.4 | 66% | 0.655 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 8.1 | 172.2 | -72.5 | -81.3 | 178.2 | 0 | 0 | 113.2 | F536 N538 | F536-M540 HydrophobicContact CD1-CE 3.82Å; F536-M540 HydrophobicContact CE1-CE 3.62Å; F536-M540 WeakPolarHBondContact O-CG 3.19Å; F536-M540 PolarHBondContact O-N 2.76Å; N538-M540 PolarHBondContact O-N 3.06Å |
| 541 | K | 52 | Low | 66.9 | Low | 148 Ų | 148 | 90.7 Ų | 90.7 | 64% | 0.643 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -107 | 50.5 | -177.7 | -157.2 | 178.1 | -178.5 | -179.8 | 0 | 112.4 | N538 L539 D543 | N538-K541 PolarHBondContact O-N 3.09Å; L539-K541 VanDerWaalsContact C-N 3.29Å; K541-D543 PolarHBondContact O-N 3.33Å |
| 542 | D | 55.7 | Low | 67.3 | Low | 134 Ų | 134 | 83 Ų | 83 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 51.8 | -19 | 167.4 | -60.4 | -24.7 | 0 | 0 | 0 | 120.6 | ||
| 543 | D | 70.1 | Confident | 67.7 | Low | 14 Ų | 14 | 80.3 Ų | 80.3 | 8% | 0.075 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -115.8 | -11.7 | -164.3 | -61 | -47.3 | 0 | 0 | 0 | 115.4 | K541 I554 I555 K558 H561 | K541-D543 PolarHBondContact O-N 3.33Å; D543-I554 CarbonylContact O-C 3.43Å; D543-I554 WeakPolarHBondContact O-CA 3.1Å; D543-I555 PolarHBondContact O-N 2.82Å; D543-K558 WeakPolarHBondContact OD1-CE 3.36Å; D543-K558 IonicContact OD1-NZ 2.76Å; D543-K558 PolarHBondContact OD1-NZ 2.83Å; D543-K558 WeakPolarHBondContact OD2-CD 3.28Å; D543-K558 WeakPolarHBondContact OD2-CE 2.98Å; D543-K558 IonicContact OD2-NZ 3.59Å; D543-K558 PolarHBondContact OD2-NZ 3.31Å; D543-H561 IonicContact OD2-CE1 3.55Å; D543-H561 PolarHBondContact OD2-CE1 2.9Å; D543-H561 IonicContact OD2-NE2 2.83Å |
| 544 | Y | 79.8 | Confident | 68.2 | Low | 34 Ų | 34 | 78.4 Ų | 78.4 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.1 | -173.1 | -67.1 | -76.8 | 0 | 0 | 0 | 112.7 | L552 I554 H561 Y565 | Y544-L552 HydrophobicContact CD1-CD1 3.93Å; Y544-L552 HydrophobicContact CD1-CD2 4.39Å; Y544-L552 HydrophobicContact CD1-CG 4.36Å; Y544-I554 HydrophobicContact CD1-CD1 4.47Å; Y544-I554 HydrophobicContact CD1-CG1 3.85Å; Y544-I554 HydrophobicContact CE1-CD1 3.87Å; Y544-I554 HydrophobicContact CE1-CG1 3.74Å; Y544-H561 PolarHBondContact OH-CD2 2.87Å; Y544-Y565 AromaticContact CE1-CE1 3.82Å; Y544-Y565 HydrophobicContact CE1-CE1 3.82Å; Y544-Y565 PolarHBondContact OH-OH 3.04Å |
| 545 | I | 79.7 | Confident | 69.6 | Low | 75 Ų | 75 | 78.2 Ų | 78.2 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.3 | 172.9 | -68.3 | 174.2 | 0 | 0 | 0 | 109.3 | L552 H553 I555 | I545-L552 CarbonylContact O-C 3.04Å; I545-L552 WeakPolarHBondContact O-CA 3.42Å; I545-H553 HydrophobicContact CB-CB 4.31Å; I545-H553 PolarHBondContact N-O 2.85Å; I545-H553 PolarHBondContact O-N 2.93Å; I545-I555 HydrophobicContact CD1-CD1 3.49Å; I545-I555 VanDerWaalsContact CD1-CD1 3.49Å; I545-I555 HydrophobicContact CD1-CG1 3.9Å; I545-I555 HydrophobicContact CG1-CD1 3.88Å; I545-I555 HydrophobicContact CG1-CG1 4.19Å |
| 546 | I | 80.7 | Confident | 71.1 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 35% | 0.354 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.5 | 165.4 | -60.1 | 169.1 | 0 | 0 | 0 | 108.5 | W526 N551 L552 | W526-I546 HydrophobicContact CB-CD1 4.48Å; W526-I546 HydrophobicContact CG-CD1 4.47Å; I546-N551 CarbonylContact C-O 3.5Å; I546-N551 WeakPolarHBondContact CA-O 3.4Å; I546-L552 HydrophobicContact CG1-CD1 4.03Å |
| 547 | E | 82.2 | Confident | 72.9 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -77.8 | 162.6 | -178.7 | -68.5 | -163.8 | 147 | 0 | 0 | 113.1 | N549 G550 N551 | E547-N549 WeakPolarHBondContact CB-OD1 3.41Å; E547-N549 PolarHBondContact O-N 2.75Å; E547-N549 PolarHBondContact OE2-ND2 2.74Å; E547-N549 PolarHBondContact OE2-OD1 3.31Å; E547-G550 PolarHBondContact O-N 2.87Å; E547-N551 HydrophobicContact CB-CB 4.18Å; E547-N551 HydrophobicContact CG-CB 4.3Å; E547-N551 PolarHBondContact N-O 2.81Å; E547-N551 PolarHBondContact OE2-ND2 3.37Å; E547-N551 VanDerWaalsContact OE2-ND2 3.13Å | ||
| 548 | K | 76.2 | Confident | 74.7 | Confident | 215 Ų | 215 | 63.8 Ų | 63.8 | 94% | 0.935 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.1 | -178.7 | -69.2 | -177.5 | 178.8 | 176.4 | 0 | 114.9 | ||
| 549 | N | 74.7 | Confident | 76.4 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -15.3 | 174.5 | 52.7 | 13.1 | 0 | 0 | 0 | 112.5 | E515 E547 N551 | E515-N549 WeakPolarHBondContact CA-O 3.19Å; E515-N549 HydrophobicContact CG-CB 3.98Å; E515-N549 WeakPolarHBondContact OE1-CB 3.48Å; E515-N549 VanDerWaalsContact OE1-CG 3.27Å; E515-N549 PolarHBondContact OE1-ND2 2.83Å; E547-N549 WeakPolarHBondContact CB-OD1 3.41Å; E547-N549 PolarHBondContact O-N 2.75Å; E547-N549 PolarHBondContact OE2-ND2 2.74Å; E547-N549 PolarHBondContact OE2-OD1 3.31Å; N549-N551 VanDerWaalsContact CG-ND2 3.27Å; N549-N551 PolarHBondContact ND2-ND2 2.97Å; N549-N551 VanDerWaalsContact OD1-CG 3.31Å; N549-N551 PolarHBondContact OD1-N 2.88Å; N549-N551 VanDerWaalsContact OD1-N 3.09Å; N549-N551 PolarHBondContact OD1-ND2 3.01Å |
| 550 | G | 81 | Confident | 78 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 114.3 | -9.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W526 E547 | W526-G550 PolarHBondContact NE1-O 2.69Å; E547-G550 PolarHBondContact O-N 2.87Å |
| 551 | N | 88.4 | Confident | 80.1 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | trans | -70.2 | 149.2 | -172.5 | -56.4 | -25.6 | 0 | 0 | 0 | 112.7 | L511 L512 P513 C514 E515 I546 E547 N549 | L511-N551 HydrophobicContact CD1-CB 4.44Å; L511-N551 HydrophobicContact CD2-CB 3.79Å; L511-N551 HydrophobicContact CG-CB 3.99Å; L512-N551 CarbonylContact O-C 3.56Å; L512-N551 WeakPolarHBondContact O-CA 3.43Å; P513-N551 VanDerWaalsContact CA-OD1 3.28Å; P513-N551 WeakPolarHBondContact CA-OD1 3.35Å; C514-N551 PolarHBondContact N-OD1 2.98Å; E515-N551 WeakPolarHBondContact CG-OD1 3.47Å; E515-N551 PolarHBondContact OE1-ND2 3.07Å; I546-N551 CarbonylContact C-O 3.5Å; I546-N551 WeakPolarHBondContact CA-O 3.4Å; E547-N551 HydrophobicContact CB-CB 4.18Å; E547-N551 HydrophobicContact CG-CB 4.3Å; E547-N551 PolarHBondContact N-O 2.81Å; E547-N551 PolarHBondContact OE2-ND2 3.37Å; E547-N551 VanDerWaalsContact OE2-ND2 3.13Å; N549-N551 VanDerWaalsContact CG-ND2 3.27Å; N549-N551 PolarHBondContact ND2-ND2 2.97Å; N549-N551 VanDerWaalsContact OD1-CG 3.31Å; N549-N551 PolarHBondContact OD1-N 2.88Å; N549-N551 VanDerWaalsContact OD1-N 3.09Å; N549-N551 PolarHBondContact OD1-ND2 3.01Å | ||
| 552 | L | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.6 | 172.3 | 175.8 | 66.7 | 0 | 0 | 0 | 109.7 | L512 W526 L533 Y544 I545 I546 Y565 | L512-L552 HydrophobicContact CB-CB 4.28Å; L512-L552 WeakPolarHBondContact CB-O 3.32Å; L512-L552 HydrophobicContact CD1-CD2 4Å; L512-L552 HydrophobicContact CD1-CG 4.37Å; L512-L552 PolarHBondContact N-O 2.82Å; L512-L552 PolarHBondContact O-N 2.79Å; W526-L552 HydrophobicContact CD2-CB 3.52Å; W526-L552 HydrophobicContact CD2-CD2 3.85Å; W526-L552 HydrophobicContact CD2-CG 4.26Å; W526-L552 HydrophobicContact CE3-CB 3.76Å; W526-L552 HydrophobicContact CE3-CD2 3.52Å; W526-L552 HydrophobicContact CE3-CG 4.29Å; W526-L552 HydrophobicContact CG-CB 4.14Å; W526-L552 HydrophobicContact CG-CD2 4.28Å; W526-L552 HydrophobicContact CH2-CB 3.75Å; W526-L552 HydrophobicContact CZ2-CB 3.48Å; W526-L552 VanDerWaalsContact CZ2-CB 3.48Å; W526-L552 VanDerWaalsContact CZ2-N 3.3Å; W526-L552 HydrophobicContact CZ3-CB 3.85Å; W526-L552 HydrophobicContact CZ3-CD2 3.99Å; L533-L552 HydrophobicContact CD1-CD1 4.03Å; L533-L552 HydrophobicContact CD1-CD2 3.64Å; Y544-L552 HydrophobicContact CD1-CD1 3.93Å; Y544-L552 HydrophobicContact CD1-CD2 4.39Å; Y544-L552 HydrophobicContact CD1-CG 4.36Å; I545-L552 CarbonylContact O-C 3.04Å; I545-L552 WeakPolarHBondContact O-CA 3.42Å; I546-L552 HydrophobicContact CG1-CD1 4.03Å; L552-Y565 HydrophobicContact CD2-CD1 3.64Å; L552-Y565 HydrophobicContact CD2-CE1 3.87Å |
| 553 | H | 88.8 | Confident | 83.4 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.1 | 175.9 | 179.7 | 177.6 | 0 | 0 | 0 | 109.1 | E509 I510 I545 | E509-H553 IonicContact OE2-NE2 2.68Å; I510-H553 CarbonylContact O-C 3.24Å; I510-H553 WeakPolarHBondContact O-CA 3.4Å; I545-H553 HydrophobicContact CB-CB 4.31Å; I545-H553 PolarHBondContact N-O 2.85Å; I545-H553 PolarHBondContact O-N 2.93Å |
| 554 | I | 87.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.9 | 169.7 | -53.5 | 178.9 | 0 | 0 | 0 | 107.8 | E509 I510 L512 D543 Y544 S556 Y565 L582 | E509-I554 WeakPolarHBondContact CA-O 3.16Å; I510-I554 HydrophobicContact CG2-CB 3.9Å; I510-I554 HydrophobicContact CG2-CD1 4.2Å; I510-I554 HydrophobicContact CG2-CG1 4.36Å; I510-I554 PolarHBondContact N-O 2.83Å; I510-I554 PolarHBondContact O-N 3.33Å; L512-I554 HydrophobicContact CD1-CD1 4.04Å; D543-I554 CarbonylContact O-C 3.43Å; D543-I554 WeakPolarHBondContact O-CA 3.1Å; Y544-I554 HydrophobicContact CD1-CD1 4.47Å; Y544-I554 HydrophobicContact CD1-CG1 3.85Å; Y544-I554 HydrophobicContact CE1-CD1 3.87Å; Y544-I554 HydrophobicContact CE1-CG1 3.74Å; I554-S556 VanDerWaalsContact C-N 3.34Å; I554-S556 PolarHBondContact O-N 3.26Å; I554-Y565 HydrophobicContact CD1-CE1 4.27Å; I554-Y565 HydrophobicContact CD1-CE2 4.19Å; I554-Y565 WeakPolarHBondContact CD1-OH 3.17Å; I554-L582 HydrophobicContact CD1-CD2 3.6Å |
| 555 | I | 84.3 | Confident | 84.9 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -67.7 | -35.4 | -169.6 | -44.5 | 177.8 | 0 | 0 | 0 | 111.6 | D543 I545 | D543-I555 PolarHBondContact O-N 2.82Å; I545-I555 HydrophobicContact CD1-CD1 3.49Å; I545-I555 VanDerWaalsContact CD1-CD1 3.49Å; I545-I555 HydrophobicContact CD1-CG1 3.9Å; I545-I555 HydrophobicContact CG1-CD1 3.88Å; I545-I555 HydrophobicContact CG1-CG1 4.19Å |
| 556 | S | 83.5 | Confident | 85.4 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -145.7 | 114.4 | 178.2 | -160.6 | 0 | 0 | 0 | 0 | 110.8 | G507 I554 K558 H561 | G507-S556 WeakPolarHBondContact CA-OG 3.46Å; G507-S556 PolarHBondContact O-OG 2.68Å; I554-S556 VanDerWaalsContact C-N 3.34Å; I554-S556 PolarHBondContact O-N 3.26Å; S556-K558 PolarHBondContact O-N 3.31Å; S556-K558 VanDerWaalsContact O-N 3.08Å; S556-H561 PolarHBondContact O-CE1 3.31Å; S556-H561 PolarHBondContact O-ND1 2.77Å |
| 557 | A | 84.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -69.7 | 102.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | I504 E506 G507 Q508 I584 | I504-A557 HydrophobicContact CD1-CB 3.86Å; I504-A557 HydrophobicContact CG2-CB 3.69Å; E506-A557 CarbonylContact C-O 3.43Å; E506-A557 VanDerWaalsContact CA-O 3.29Å; E506-A557 WeakPolarHBondContact CA-O 3.45Å; G507-A557 PolarHBondContact N-O 3.23Å; Q508-A557 VanDerWaalsContact O-CB 3.31Å; Q508-A557 WeakPolarHBondContact O-CB 3.49Å; Q508-A557 PolarHBondContact O-N 3.01Å; A557-I584 HydrophobicContact CB-CD1 3.91Å; A557-I584 HydrophobicContact CB-CG1 4.12Å; A557-I584 HydrophobicContact CB-CG2 4.31Å | ||
| 558 | K | 85.7 | Confident | 86.3 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | trans | -98.2 | 146.9 | 170.8 | -62.1 | 169.6 | -169.5 | 164 | 0 | 108.8 | D543 S556 S560 H561 I584 | D543-K558 WeakPolarHBondContact OD1-CE 3.36Å; D543-K558 IonicContact OD1-NZ 2.76Å; D543-K558 PolarHBondContact OD1-NZ 2.83Å; D543-K558 WeakPolarHBondContact OD2-CD 3.28Å; D543-K558 WeakPolarHBondContact OD2-CE 2.98Å; D543-K558 IonicContact OD2-NZ 3.59Å; D543-K558 PolarHBondContact OD2-NZ 3.31Å; S556-K558 PolarHBondContact O-N 3.31Å; S556-K558 VanDerWaalsContact O-N 3.08Å; K558-S560 WeakPolarHBondContact CB-OG 3.31Å; K558-S560 PolarHBondContact O-N 3.1Å; K558-H561 PolarHBondContact N-ND1 3.43Å; K558-H561 PolarHBondContact O-N 2.76Å; K558-I584 WeakPolarHBondContact O-CD1 3.44Å | ||
| 559 | L | 83.3 | Confident | 86.9 | Confident | 77 Ų | 77 | 33.4 Ų | 33.4 | 40% | 0.403 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -51 | -19.4 | -179.6 | -64.9 | 168.2 | 0 | 0 | 0 | 114.8 | H561 N562 I584 | L559-H561 VanDerWaalsContact C-N 3.33Å; L559-N562 PolarHBondContact O-ND2 2.78Å; L559-I584 HydrophobicContact CD2-CB 4.15Å; L559-I584 HydrophobicContact CD2-CG2 3.93Å; L559-I584 WeakPolarHBondContact CD2-O 2.9Å |
| 560 | S | 85.9 | Confident | 87.4 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 59% | 0.587 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -70 | -12.6 | 171.1 | 45.6 | 0 | 0 | 0 | 0 | 116.4 | K558 | K558-S560 WeakPolarHBondContact CB-OG 3.31Å; K558-S560 PolarHBondContact O-N 3.1Å |
| 561 | H | 87.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -94.4 | 4 | -178.6 | -51.6 | 156.3 | 0 | 0 | 0 | 112.7 | D543 Y544 S556 K558 L559 G563 Y565 L582 I584 | D543-H561 IonicContact OD2-CE1 3.55Å; D543-H561 PolarHBondContact OD2-CE1 2.9Å; D543-H561 IonicContact OD2-NE2 2.83Å; Y544-H561 PolarHBondContact OH-CD2 2.87Å; S556-H561 PolarHBondContact O-CE1 3.31Å; S556-H561 PolarHBondContact O-ND1 2.77Å; K558-H561 PolarHBondContact N-ND1 3.43Å; K558-H561 PolarHBondContact O-N 2.76Å; L559-H561 VanDerWaalsContact C-N 3.33Å; H561-G563 PolarHBondContact O-N 3.36Å; H561-Y565 PolarHBondContact O-OH 2.82Å; H561-L582 HydrophobicContact CB-CD2 4.36Å; H561-I584 HydrophobicContact CB-CD1 3.78Å |
| 562 | N | 88.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 39.6 Ų | 39.6 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | trans | -62 | 122.9 | 170.2 | -70 | -20 | 0 | 0 | 0 | 110.4 | L559 L582 F583 I584 | L559-N562 PolarHBondContact O-ND2 2.78Å; N562-L582 WeakPolarHBondContact CA-O 3.47Å; N562-F583 VanDerWaalsContact OD1-CA 3.29Å; N562-F583 WeakPolarHBondContact OD1-CA 3.44Å; N562-I584 WeakPolarHBondContact OD1-CB 3.45Å; N562-I584 VanDerWaalsContact OD1-CG1 3.28Å; N562-I584 WeakPolarHBondContact OD1-CG1 3.32Å; N562-I584 PolarHBondContact OD1-N 2.8Å | ||
| 563 | G | 88.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -174.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N529 H561 I581 L582 | N529-G563 WeakPolarHBondContact OD1-CA 3.3Å; H561-G563 PolarHBondContact O-N 3.36Å; G563-I581 CarbonylContact O-C 3.55Å; G563-I581 WeakPolarHBondContact O-CA 3.49Å; G563-L582 PolarHBondContact N-O 2.93Å; G563-L582 PolarHBondContact O-N 2.8Å |
| 564 | T | 90.1 | Very high | 85.2 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.5 | -179.1 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | F528 N529 G580 I581 | F528-T564 CarbonylContact C-O 3.44Å; F528-T564 WeakPolarHBondContact CA-O 3.49Å; N529-T564 PolarHBondContact N-O 3.27Å; N529-T564 PolarHBondContact OD1-N 3.18Å; T564-G580 CarbonylContact C-O 3.51Å; T564-G580 VanDerWaalsContact CA-O 3.31Å; T564-G580 WeakPolarHBondContact CA-O 3.43Å; T564-G580 WeakPolarHBondContact CG2-O 3.25Å; T564-I581 HydrophobicContact CG2-CG1 4.17Å |
| 565 | Y | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 144.5 | 173.4 | -66.3 | -90.9 | 0 | 0 | 0 | 111.1 | L512 F527 F528 Y544 L552 I554 H561 T579 G580 L582 | L512-Y565 HydrophobicContact CD1-CD1 3.94Å; L512-Y565 HydrophobicContact CD1-CD2 3.85Å; L512-Y565 HydrophobicContact CD1-CE1 4.35Å; L512-Y565 HydrophobicContact CD1-CE2 4.27Å; L512-Y565 HydrophobicContact CD1-CG 3.67Å; F527-Y565 WeakPolarHBondContact O-CA 3.5Å; F528-Y565 HydrophobicContact CB-CD1 4.06Å; F528-Y565 HydrophobicContact CB-CE1 3.89Å; F528-Y565 AromaticContact CD2-CD1 3.88Å; F528-Y565 HydrophobicContact CD2-CD1 3.88Å; F528-Y565 HydrophobicContact CD2-CD2 4.16Å; F528-Y565 AromaticContact CD2-CE1 3.37Å; F528-Y565 HydrophobicContact CD2-CE1 3.37Å; F528-Y565 AromaticContact CD2-CE2 3.69Å; F528-Y565 HydrophobicContact CD2-CE2 3.69Å; F528-Y565 HydrophobicContact CD2-CG 4.25Å; F528-Y565 AromaticContact CD2-CZ 3.26Å; F528-Y565 HydrophobicContact CE2-CE1 4.13Å; F528-Y565 AromaticContact CE2-CE2 3.8Å; F528-Y565 HydrophobicContact CE2-CE2 3.8Å; F528-Y565 AromaticContact CE2-CZ 3.54Å; F528-Y565 WeakPolarHBondContact CE2-OH 3.43Å; F528-Y565 HydrophobicContact CG-CD1 4.41Å; F528-Y565 AromaticContact CG-CE1 3.91Å; F528-Y565 HydrophobicContact CG-CE1 3.91Å; Y544-Y565 AromaticContact CE1-CE1 3.82Å; Y544-Y565 HydrophobicContact CE1-CE1 3.82Å; Y544-Y565 PolarHBondContact OH-OH 3.04Å; L552-Y565 HydrophobicContact CD2-CD1 3.64Å; L552-Y565 HydrophobicContact CD2-CE1 3.87Å; I554-Y565 HydrophobicContact CD1-CE1 4.27Å; I554-Y565 HydrophobicContact CD1-CE2 4.19Å; I554-Y565 WeakPolarHBondContact CD1-OH 3.17Å; H561-Y565 PolarHBondContact O-OH 2.82Å; Y565-T579 CarbonylContact O-C 3.54Å; Y565-T579 VanDerWaalsContact O-CA 3.29Å; Y565-T579 WeakPolarHBondContact O-CA 3.03Å; Y565-G580 PolarHBondContact N-O 3.22Å; Y565-G580 PolarHBondContact O-N 2.75Å; Y565-L582 HydrophobicContact CD2-CB 4.38Å; Y565-L582 HydrophobicContact CE2-CB 3.93Å; Y565-L582 HydrophobicContact CE2-CD2 4.07Å |
| 566 | L | 90.8 | Very high | 85.1 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.2 | 176.1 | 153 | 72.5 | 0 | 0 | 0 | 108.2 | W526 F527 Q577 S578 T579 | W526-L566 CarbonylContact C-O 3.43Å; W526-L566 WeakPolarHBondContact CA-O 3.2Å; F527-L566 HydrophobicContact CB-CB 3.99Å; F527-L566 HydrophobicContact CB-CD2 4.06Å; F527-L566 HydrophobicContact CB-CG 4.16Å; F527-L566 HydrophobicContact CD1-CD2 4.27Å; F527-L566 HydrophobicContact CD2-CD2 3.87Å; F527-L566 HydrophobicContact CD2-CG 3.86Å; F527-L566 HydrophobicContact CE2-CD2 4.45Å; F527-L566 HydrophobicContact CG-CD2 3.83Å; F527-L566 HydrophobicContact CG-CG 4.14Å; F527-L566 PolarHBondContact N-O 2.96Å; F527-L566 PolarHBondContact O-N 3.18Å; L566-Q577 HydrophobicContact CD1-CB 4.08Å; L566-S578 CarbonylContact C-O 3.58Å; L566-S578 WeakPolarHBondContact CA-O 3.39Å; L566-S578 WeakPolarHBondContact CD1-O 3.37Å; L566-T579 HydrophobicContact CB-CG2 3.96Å; L566-T579 HydrophobicContact CD1-CG2 3.68Å; L566-T579 HydrophobicContact CG-CG2 4.38Å |
| 567 | C | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.7 | 169.9 | -169 | 0 | 0 | 0 | 0 | 111.1 | I498 C514 I524 S525 W526 Q577 S578 | I498-C567 HydrophobicContact CD1-CB 4.06Å; C514-C567 HydrophobicContact CB-CB 3.69Å; C514-C567 WeakPolarHBondContact CB-SG 3.07Å; C514-C567 WeakPolarHBondContact SG-CB 3Å; C514-C567 CovalentContact SG-SG 2.02Å; C514-C567 PolarHBondContact SG-SG 3.03Å; I524-C567 WeakPolarHBondContact CG2-SG 3.46Å; S525-C567 CarbonylContact O-C 3.25Å; S525-C567 WeakPolarHBondContact O-CA 3.37Å; W526-C567 HydrophobicContact CD2-CB 3.69Å; W526-C567 HydrophobicContact CE3-CB 3.76Å; W526-C567 HydrophobicContact CG-CB 4.43Å; W526-C567 HydrophobicContact CH2-CB 3.78Å; W526-C567 HydrophobicContact CZ2-CB 3.73Å; W526-C567 HydrophobicContact CZ3-CB 3.82Å; W526-C567 PolarHBondContact NE1-SG 2.78Å; W526-C567 VanDerWaalsContact NE1-SG 3.43Å; C567-Q577 CarbonylContact O-C 3.45Å; C567-Q577 VanDerWaalsContact O-CA 3.25Å; C567-Q577 WeakPolarHBondContact O-CA 3.29Å; C567-S578 PolarHBondContact N-O 2.76Å; C567-S578 PolarHBondContact O-N 2.7Å |
| 568 | K | 90.8 | Very high | 85.6 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128.3 | -174 | 172.5 | -170 | 173.9 | -171.3 | 0 | 110 | I524 S525 F527 I575 S576 Q577 | I524-K568 CarbonylContact C-O 3.55Å; S525-K568 PolarHBondContact N-O 3.46Å; S525-K568 PolarHBondContact O-N 2.81Å; S525-K568 PolarHBondContact OG-O 2.99Å; F527-K568 HydrophobicContact CE2-CB 4.28Å; F527-K568 HydrophobicContact CE2-CD 4.48Å; K568-I575 HydrophobicContact CG-CG2 4.06Å; K568-S576 CarbonylContact C-O 3.57Å; K568-S576 WeakPolarHBondContact CA-O 3.41Å; K568-Q577 HydrophobicContact CB-CB 4.41Å |
| 569 | A | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P492 F494 T516 A522 E523 I524 I575 S576 | P492-A569 HydrophobicContact CB-CB 4.48Å; F494-A569 HydrophobicContact CE1-CB 4.15Å; F494-A569 HydrophobicContact CZ-CB 4.35Å; T516-A569 HydrophobicContact CG2-CB 3.62Å; A522-A569 HydrophobicContact CB-CB 4.09Å; E523-A569 CarbonylContact O-C 3.59Å; E523-A569 VanDerWaalsContact O-CA 3.23Å; E523-A569 WeakPolarHBondContact O-CA 3.33Å; I524-A569 HydrophobicContact CG1-CB 4.06Å; A569-I575 CarbonylContact O-C 2.99Å; A569-I575 VanDerWaalsContact O-CA 3.3Å; A569-I575 WeakPolarHBondContact O-CA 3.27Å; A569-I575 WeakPolarHBondContact O-CG2 3.35Å; A569-S576 PolarHBondContact N-O 2.83Å; A569-S576 PolarHBondContact O-N 2.74Å |
| 570 | S | 85.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.7 | -176.2 | 45.4 | 0 | 0 | 0 | 0 | 113.8 | A522 E523 G574 | A522-S570 CarbonylContact C-O 3.34Å; A522-S570 WeakPolarHBondContact CA-O 3.4Å; E523-S570 PolarHBondContact N-O 2.89Å; E523-S570 PolarHBondContact O-N 2.84Å; S570-G574 WeakPolarHBondContact CA-O 3.49Å |
| 571 | N | 78.4 | Confident | 86 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | -178.6 | 167.4 | 80.3 | 7.5 | 0 | 0 | 0 | 110.3 | Q490 P492 P520 A522 F573 G574 | Q490-N571 PolarHBondContact O-ND2 2.91Å; P492-N571 VanDerWaalsContact CD-OD1 3.31Å; P492-N571 WeakPolarHBondContact CD-OD1 3.43Å; P492-N571 HydrophobicContact CG-CB 3.99Å; P520-N571 PolarHBondContact O-ND2 3.4Å; A522-N571 HydrophobicContact CB-CB 4.34Å; N571-F573 PolarHBondContact O-N 2.96Å; N571-F573 WeakPolarHBondContact OD1-CA 3.35Å; N571-F573 WeakPolarHBondContact OD1-CB 3.3Å; N571-F573 PolarHBondContact OD1-N 3.38Å; N571-G574 PolarHBondContact N-O 3.43Å; N571-G574 PolarHBondContact O-N 2.83Å; N571-G574 VanDerWaalsContact O-O 3.09Å; N571-G574 PolarHBondContact OD1-N 2.82Å; N571-G574 VanDerWaalsContact OD1-N 3.11Å |
| 572 | I | 73.3 | Confident | 86.1 | Confident | 132 Ų | 132 | 42.6 Ų | 42.6 | 68% | 0.677 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.6 | -178.7 | 63.2 | 172.6 | 0 | 0 | 0 | 115.1 | P520 | P520-I572 HydrophobicContact CG-CD1 3.89Å; P520-I572 HydrophobicContact CG-CG1 4.05Å |
| 573 | F | 72.7 | Confident | 86.1 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -7.9 | -178.9 | -60.5 | -56.3 | 0 | 0 | 0 | 114 | P408 N489 P491 S519 N571 | P408-F573 HydrophobicContact CB-CE2 4.17Å; P408-F573 HydrophobicContact CB-CZ 4.34Å; N489-F573 HydrophobicContact CB-CD2 4.19Å; N489-F573 HydrophobicContact CB-CE1 4.17Å; N489-F573 HydrophobicContact CB-CE2 3.59Å; N489-F573 HydrophobicContact CB-CZ 3.58Å; N489-F573 VanDerWaalsContact CG-CZ 3.5Å; N489-F573 WeakPolarHBondContact OD1-CZ 3.34Å; P491-F573 HydrophobicContact CB-CB 4.18Å; S519-F573 WeakPolarHBondContact O-CD2 3.48Å; S519-F573 WeakPolarHBondContact O-CE2 3.33Å; N571-F573 PolarHBondContact O-N 2.96Å; N571-F573 WeakPolarHBondContact OD1-CA 3.35Å; N571-F573 WeakPolarHBondContact OD1-CB 3.3Å; N571-F573 PolarHBondContact OD1-N 3.38Å |
| 574 | G | 77.6 | Confident | 86 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P492 S570 N571 | P492-G574 WeakPolarHBondContact CD-O 3.23Å; P492-G574 VanDerWaalsContact CG-O 3.29Å; P492-G574 WeakPolarHBondContact CG-O 3.38Å; S570-G574 WeakPolarHBondContact CA-O 3.49Å; N571-G574 PolarHBondContact N-O 3.43Å; N571-G574 PolarHBondContact O-N 2.83Å; N571-G574 VanDerWaalsContact O-O 3.09Å; N571-G574 PolarHBondContact OD1-N 2.82Å; N571-G574 VanDerWaalsContact OD1-N 3.11Å |
| 575 | I | 86.2 | Confident | 85.6 | Confident | 115 Ų | 115 | 46.8 Ų | 46.8 | 59% | 0.59 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.4 | 177.3 | -51.4 | -175.8 | 0 | 0 | 0 | 108.9 | K568 A569 | K568-I575 HydrophobicContact CG-CG2 4.06Å; A569-I575 CarbonylContact O-C 2.99Å; A569-I575 VanDerWaalsContact O-CA 3.3Å; A569-I575 WeakPolarHBondContact O-CA 3.27Å; A569-I575 WeakPolarHBondContact O-CG2 3.35Å |
| 576 | S | 82.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.9 | 174.5 | -168.3 | 0 | 0 | 0 | 0 | 111 | F494 K568 A569 | F494-S576 WeakPolarHBondContact CD2-OG 3.27Å; F494-S576 WeakPolarHBondContact CE2-OG 3.4Å; K568-S576 CarbonylContact C-O 3.57Å; K568-S576 WeakPolarHBondContact CA-O 3.41Å; A569-S576 PolarHBondContact N-O 2.83Å; A569-S576 PolarHBondContact O-N 2.74Å |
| 577 | Q | 90.7 | Very high | 84.6 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152 | -179.5 | 69.6 | -173.3 | 20.9 | 0 | 0 | 114.1 | F494 L566 C567 K568 N1351 | F494-Q577 WeakPolarHBondContact CE2-O 3.27Å; L566-Q577 HydrophobicContact CD1-CB 4.08Å; C567-Q577 CarbonylContact O-C 3.45Å; C567-Q577 VanDerWaalsContact O-CA 3.25Å; C567-Q577 WeakPolarHBondContact O-CA 3.29Å; K568-Q577 HydrophobicContact CB-CB 4.41Å; Q577-N1351 PolarHBondContact NE2-OD1 3.31Å |
| 578 | S | 88 | Confident | 84.1 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.5 | -175.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | V497 I498 L566 C567 | V497-S578 WeakPolarHBondContact CB-OG 3.39Å; I498-S578 PolarHBondContact N-OG 3.28Å; L566-S578 CarbonylContact C-O 3.58Å; L566-S578 WeakPolarHBondContact CA-O 3.39Å; L566-S578 WeakPolarHBondContact CD1-O 3.37Å; C567-S578 PolarHBondContact N-O 2.76Å; C567-S578 PolarHBondContact O-N 2.7Å |
| 579 | T | 89.3 | Confident | 83.7 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.4 | -172.2 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | Y565 L566 | Y565-T579 CarbonylContact O-C 3.54Å; Y565-T579 VanDerWaalsContact O-CA 3.29Å; Y565-T579 WeakPolarHBondContact O-CA 3.03Å; L566-T579 HydrophobicContact CB-CG2 3.96Å; L566-T579 HydrophobicContact CD1-CG2 3.68Å; L566-T579 HydrophobicContact CG-CG2 4.38Å |
| 580 | G | 85.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -180 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G500 T564 Y565 | G500-G580 CarbonylContact O-C 3.58Å; G500-G580 VanDerWaalsContact O-CA 3.27Å; G500-G580 WeakPolarHBondContact O-CA 3.26Å; T564-G580 CarbonylContact C-O 3.51Å; T564-G580 VanDerWaalsContact CA-O 3.31Å; T564-G580 WeakPolarHBondContact CA-O 3.43Å; T564-G580 WeakPolarHBondContact CG2-O 3.25Å; Y565-G580 PolarHBondContact N-O 3.22Å; Y565-G580 PolarHBondContact O-N 2.75Å |
| 581 | I | 89.1 | Confident | 83 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.7 | -174.5 | -64.5 | 178.2 | 0 | 0 | 0 | 111 | G500 I501 Q502 G563 T564 F583 N1355 | G500-I581 PolarHBondContact O-N 3.01Å; I501-I581 CarbonylContact C-O 3.53Å; I501-I581 WeakPolarHBondContact CA-O 3.26Å; I501-I581 HydrophobicContact CG1-CB 4.22Å; Q502-I581 PolarHBondContact N-O 3.02Å; G563-I581 CarbonylContact O-C 3.55Å; G563-I581 WeakPolarHBondContact O-CA 3.49Å; T564-I581 HydrophobicContact CG2-CG1 4.17Å; I581-F583 HydrophobicContact CG2-CD2 4.45Å; I581-F583 HydrophobicContact CG2-CE2 4.07Å; I581-F583 HydrophobicContact CG2-CZ 4.27Å; I581-N1355 HydrophobicContact CD1-CB 4.35Å; I581-N1355 WeakPolarHBondContact CD1-ND2 3.26Å |
| 582 | L | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.1 | 178.8 | -173.8 | 60.7 | 0 | 0 | 0 | 113.2 | Q502 I504 I510 I554 H561 N562 G563 Y565 I584 | Q502-L582 HydrophobicContact CB-CD1 4.02Å; Q502-L582 CarbonylContact O-C 3.53Å; I504-L582 HydrophobicContact CG2-CD1 4.03Å; I510-L582 HydrophobicContact CD1-CD1 4.01Å; I510-L582 HydrophobicContact CG2-CD1 4.44Å; I510-L582 HydrophobicContact CG2-CD2 4.34Å; I554-L582 HydrophobicContact CD1-CD2 3.6Å; H561-L582 HydrophobicContact CB-CD2 4.36Å; N562-L582 WeakPolarHBondContact CA-O 3.47Å; G563-L582 PolarHBondContact N-O 2.93Å; G563-L582 PolarHBondContact O-N 2.8Å; Y565-L582 HydrophobicContact CD2-CB 4.38Å; Y565-L582 HydrophobicContact CE2-CB 3.93Å; Y565-L582 HydrophobicContact CE2-CD2 4.07Å; L582-I584 HydrophobicContact CD2-CD1 4.31Å; L582-I584 HydrophobicContact CG-CD1 4.46Å; L582-I584 HydrophobicContact CG-CG1 4.36Å |
| 583 | F | 87.5 | Confident | 82.7 | Confident | 74 Ų | 74 | 54 Ų | 54 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.8 | 176 | -72.5 | -62.3 | 0 | 0 | 0 | 113.2 | I501 Q502 Y503 I504 N562 I581 | I501-F583 HydrophobicContact CG2-CD2 3.48Å; I501-F583 VanDerWaalsContact CG2-CD2 3.48Å; I501-F583 HydrophobicContact CG2-CE2 3.58Å; Q502-F583 PolarHBondContact O-N 3.06Å; Y503-F583 CarbonylContact C-O 3.56Å; Y503-F583 WeakPolarHBondContact CA-O 3.18Å; Y503-F583 HydrophobicContact CD1-CB 3.53Å; Y503-F583 HydrophobicContact CD1-CD2 4.1Å; Y503-F583 HydrophobicContact CD1-CG 4.2Å; Y503-F583 HydrophobicContact CE1-CB 3.68Å; Y503-F583 AromaticContact CE1-CD2 3.47Å; Y503-F583 HydrophobicContact CE1-CD2 3.47Å; Y503-F583 VanDerWaalsContact CE1-CD2 3.47Å; Y503-F583 HydrophobicContact CE1-CE2 4.33Å; Y503-F583 AromaticContact CE1-CG 3.84Å; Y503-F583 HydrophobicContact CE1-CG 3.84Å; Y503-F583 HydrophobicContact CG-CB 4.44Å; Y503-F583 AromaticContact CZ-CD2 3.78Å; I504-F583 PolarHBondContact N-O 3.31Å; N562-F583 VanDerWaalsContact OD1-CA 3.29Å; N562-F583 WeakPolarHBondContact OD1-CA 3.44Å; I581-F583 HydrophobicContact CG2-CD2 4.45Å; I581-F583 HydrophobicContact CG2-CE2 4.07Å; I581-F583 HydrophobicContact CG2-CZ 4.27Å |
| 584 | I | 86.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.9 | -169.2 | -57.5 | 165.6 | 0 | 0 | 0 | 111.6 | I504 E506 A557 K558 L559 H561 N562 L582 | I504-I584 HydrophobicContact CG2-CB 4.27Å; I504-I584 HydrophobicContact CG2-CD1 4.5Å; I504-I584 HydrophobicContact CG2-CG1 3.52Å; I504-I584 HydrophobicContact CG2-CG2 4.44Å; I504-I584 CarbonylContact O-C 3.02Å; I504-I584 VanDerWaalsContact O-CA 3.31Å; I504-I584 WeakPolarHBondContact O-CA 3.21Å; E506-I584 HydrophobicContact CB-CG2 4.22Å; A557-I584 HydrophobicContact CB-CD1 3.91Å; A557-I584 HydrophobicContact CB-CG1 4.12Å; A557-I584 HydrophobicContact CB-CG2 4.31Å; K558-I584 WeakPolarHBondContact O-CD1 3.44Å; L559-I584 HydrophobicContact CD2-CB 4.15Å; L559-I584 HydrophobicContact CD2-CG2 3.93Å; L559-I584 WeakPolarHBondContact CD2-O 2.9Å; H561-I584 HydrophobicContact CB-CD1 3.78Å; N562-I584 WeakPolarHBondContact OD1-CB 3.45Å; N562-I584 VanDerWaalsContact OD1-CG1 3.28Å; N562-I584 WeakPolarHBondContact OD1-CG1 3.32Å; N562-I584 PolarHBondContact OD1-N 2.8Å; L582-I584 HydrophobicContact CD2-CD1 4.31Å; L582-I584 HydrophobicContact CG-CD1 4.46Å; L582-I584 HydrophobicContact CG-CG1 4.36Å |
| 585 | R | 82.7 | Confident | 82.5 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 165.4 | -176.3 | -63.7 | -61.8 | -171.5 | 163.8 | 1.4 | 113.2 | I504 E506 | I504-R585 PolarHBondContact O-N 2.83Å; E506-R585 WeakPolarHBondContact CA-O 3.45Å; E506-R585 WeakPolarHBondContact CB-O 3.29Å; E506-R585 PolarHBondContact N-O 2.87Å |
| 586 | K | 79.7 | Confident | 81.7 | Confident | 106 Ų | 106 | 48.5 Ų | 48.5 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | trans | -80.6 | 159.8 | 175.4 | -69.8 | -177.3 | 175 | -178.1 | 0 | 112.6 | D641 | K586-D641 HydrophobicContact CB-CB 4.28Š| ||
| 587 | Q | 80.3 | Confident | 80.9 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | trans | -107 | 147.9 | -178.2 | -163.1 | -164.5 | 11.2 | 0 | 0 | 111.7 | I505 D701 | I505-Q587 HydrophobicContact CG2-CB 3.75Å; I505-Q587 HydrophobicContact CG2-CG 4.01Å; Q587-D701 WeakPolarHBondContact CA-OD2 3.32Å; Q587-D701 WeakPolarHBondContact CG-OD2 3.3Å | ||
| 588 | T | 82.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | trans | -68.2 | 145.7 | 163.1 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | V638 E639 T640 T698 D701 V703 | T588-V638 HydrophobicContact CG2-CG1 3.72Å; T588-E639 CarbonylContact C-O 3.53Å; T588-E639 WeakPolarHBondContact CA-O 3.44Å; T588-E639 VanDerWaalsContact CG2-O 3.3Å; T588-E639 WeakPolarHBondContact CG2-O 3.29Å; T588-T640 WeakPolarHBondContact OG1-CB 3.4Å; T588-T640 PolarHBondContact OG1-OG1 2.95Å; T588-T698 HydrophobicContact CG2-CG2 4.42Å; T588-D701 WeakPolarHBondContact CB-OD1 3.49Å; T588-D701 PolarHBondContact N-OD1 3.46Å; T588-D701 PolarHBondContact N-OD2 3.43Å; T588-D701 PolarHBondContact OG1-OD1 2.75Å; T588-V703 HydrophobicContact CG2-CG2 3.6Å; T588-V703 VanDerWaalsContact O-CG1 3.27Å; T588-V703 WeakPolarHBondContact O-CG1 3.19Å | ||
| 589 | R | 82.5 | Confident | 77.3 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 44% | 0.438 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 126.5 | -174.3 | -63.9 | -177.2 | 177.8 | 152 | 7.5 | 111.1 | E506 I591 V638 E639 | E506-R589 IonicContact OE2-CZ 2.67Å; E506-R589 IonicContact OE2-NH2 3.97Å; E506-R589 PolarHBondContact OE2-NH2 3Å; R589-I591 PolarHBondContact O-N 2.81Å; R589-V638 CarbonylContact O-C 3.43Å; R589-V638 WeakPolarHBondContact O-CA 3.27Å; R589-V638 WeakPolarHBondContact O-CG1 3.16Å; R589-E639 PolarHBondContact N-O 2.7Å; R589-E639 PolarHBondContact O-N 3.05Å |
| 590 | I | 80.7 | Confident | 74.9 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 18% | 0.179 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 110.2 | 168.5 | -69.6 | 164 | 0 | 0 | 0 | 107.7 | S592 K637 V638 A696 V703 | I590-S592 VanDerWaalsContact C-N 3.34Å; I590-K637 CarbonylContact C-O 3.57Å; I590-K637 WeakPolarHBondContact CA-O 3.43Å; I590-V638 HydrophobicContact CG1-CG1 4.49Å; I590-V638 HydrophobicContact CG1-CG2 4.38Å; I590-A696 HydrophobicContact CD1-CB 4.46Å; I590-A696 HydrophobicContact CG1-CB 4.24Å; I590-V703 HydrophobicContact CD1-CG2 4.26Å; I590-V703 HydrophobicContact CG1-CG2 4.03Å |
| 591 | I | 78.6 | Confident | 72.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -40.1 | -178.4 | -55 | 172.6 | 0 | 0 | 0 | 110.3 | R589 K637 E639 | R589-I591 PolarHBondContact O-N 2.81Å; I591-K637 HydrophobicContact CB-CD 4.26Å; I591-K637 HydrophobicContact CB-CG 4.38Å; I591-K637 HydrophobicContact CD1-CD 4.21Å; I591-K637 HydrophobicContact CD1-CG 4.21Å; I591-K637 HydrophobicContact CG2-CD 4.3Å; I591-K637 PolarHBondContact N-O 3.04Å; I591-E639 HydrophobicContact CD1-CB 3.83Å; I591-E639 HydrophobicContact CD1-CG 3.8Å; I591-E639 VanDerWaalsContact CD1-OE1 3.31Å; I591-E639 WeakPolarHBondContact CD1-OE1 3.48Å; I591-E639 HydrophobicContact CG1-CB 3.82Å; I591-E639 HydrophobicContact CG1-CG 4.24Å |
| 592 | S | 74.3 | Confident | 69.7 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 119.5 | -179.5 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | I590 C636 K637 | I590-S592 VanDerWaalsContact C-N 3.34Å; S592-C636 CarbonylContact O-C 3.59Å; S592-C636 WeakPolarHBondContact O-CA 3.3Å; S592-K637 PolarHBondContact N-O 3.29Å; S592-K637 PolarHBondContact O-N 2.67Å |
| 593 | G | 70.6 | Confident | 66.9 | Low | 11 Ų | 11 | 81 Ų | 81 | 11% | 0.113 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | 164.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A635 S705 | G593-A635 WeakPolarHBondContact CA-O 3.39Å; G593-S705 WeakPolarHBondContact O-CB 3.2Å; G593-S705 PolarHBondContact O-OG 3.5Å |
| 594 | P | 71.7 | Confident | 64.2 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -61.2 | 131.5 | -17 | -24.7 | 36.5 | 0 | 0 | 0 | 111.9 | L634 A635 W652 C694 S705 | P594-L634 HydrophobicContact CB-CB 4.4Å; P594-L634 HydrophobicContact CB-CD2 4.12Å; P594-A635 CarbonylContact C-O 3.51Å; P594-A635 WeakPolarHBondContact CA-O 3.48Å; P594-W652 HydrophobicContact CB-CH2 3.9Å; P594-W652 HydrophobicContact CB-CZ3 3.74Å; P594-W652 HydrophobicContact CG-CH2 4.11Å; P594-W652 HydrophobicContact CG-CZ3 3.7Å; P594-C694 HydrophobicContact CG-CB 4.34Å; P594-S705 VanDerWaalsContact CD-C 3.49Å; P594-S705 WeakPolarHBondContact CD-O 3.23Å; P594-S705 WeakPolarHBondContact CG-O 3.42Å |
| 595 | L | 74 | Confident | 61.4 | Low | 48 Ų | 48 | 89.7 Ų | 89.7 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.9 | 178.4 | -74.8 | 176 | 0 | 0 | 0 | 111.5 | E597 L634 A635 | L595-E597 PolarHBondContact O-N 3.31Å; L595-E597 VanDerWaalsContact O-N 3.09Å; L595-L634 VanDerWaalsContact O-CA 3.29Å; L595-L634 WeakPolarHBondContact O-CA 3.35Å; L595-A635 PolarHBondContact N-O 2.88Å; L595-A635 PolarHBondContact O-N 2.95Å; L595-A635 VanDerWaalsContact O-N 3.1Å |
| 596 | I | 69.2 | Low | 58.8 | Low | 46 Ų | 46 | 88.5 Ų | 88.5 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 103.9 | 177.8 | -62.2 | 173.5 | 0 | 0 | 0 | 110.4 | M623 L626 I632 Q633 L634 | I596-M623 HydrophobicContact CB-CE 3.61Å; I596-M623 HydrophobicContact CD1-CB 4.17Å; I596-M623 HydrophobicContact CD1-CE 4.16Å; I596-M623 HydrophobicContact CG1-CE 4.45Å; I596-M623 HydrophobicContact CG2-CE 3.62Å; I596-M623 HydrophobicContact CG2-SD 4.02Å; I596-L626 HydrophobicContact CD1-CD1 4.1Å; I596-I632 HydrophobicContact CD1-CG2 4.44Å; I596-I632 HydrophobicContact CG2-CB 4.07Å; I596-I632 HydrophobicContact CG2-CG2 3.7Å; I596-Q633 CarbonylContact C-O 3.56Å; I596-Q633 WeakPolarHBondContact CA-O 3.49Å; I596-L634 HydrophobicContact CB-CD2 4.48Å; I596-L634 HydrophobicContact CG1-CD2 3.55Å |
| 597 | E | 66.4 | Low | 56.4 | Low | 83 Ų | 83 | 88.8 Ų | 88.8 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 160.2 | 170 | -63.7 | 179.4 | 157.3 | 0 | 0 | 110 | L595 Q633 | L595-E597 PolarHBondContact O-N 3.31Å; L595-E597 VanDerWaalsContact O-N 3.09Å; E597-Q633 HydrophobicContact CB-CB 4.08Å; E597-Q633 HydrophobicContact CB-CG 4.07Å; E597-Q633 PolarHBondContact N-O 3.23Å; E597-Q633 PolarHBondContact O-N 3.5Å; E597-Q633 PolarHBondContact OE2-NE2 2.82Å |
| 598 | R | 55.3 | Low | 54 | Low | 162 Ų | 162 | 91.2 Ų | 91.2 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | trans | -140.8 | 114.2 | -174.5 | -123.3 | -179 | -168.9 | 172.6 | 4.7 | 111.4 | I600 | R598-I600 PolarHBondContact O-N 2.85Š| ||
| 599 | N | 47.5 | Very low | 51.6 | Low | 131 Ų | 131 | 97.4 Ų | 97.4 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | trans | -70.8 | 125.7 | 169 | -93.9 | -44.6 | 0 | 0 | 0 | 110.2 | ||||
| 600 | I | 37.8 | Very low | 49 | Very low | 140 Ų | 140 | 97 Ų | 97 | 72% | 0.718 | 53% | 0.532 | S | S | * | . | trans | -109 | 105.1 | 177.1 | -57.7 | 174.5 | 0 | 0 | 0 | 108.1 | R598 T602 | R598-I600 PolarHBondContact O-N 2.85Å; I600-T602 HydrophobicContact CG2-CG2 4.27Å | ||
| 601 | N | 37.7 | Very low | 46.5 | Very low | 162 Ų | 162 | 101 Ų | 101 | 87% | 0.866 | 56% | 0.559 | S | S | * | * | trans | -135.6 | 141.8 | 163.5 | -89 | -40.5 | 0 | 0 | 0 | 108.6 | ||||
| 602 | T | 28.9 | Very low | 44.1 | Very low | 105 Ų | 105 | 103 Ų | 103 | 64% | 0.644 | 58% | 0.575 | S | S | * | * | trans | -126.2 | 143.3 | -154 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | I600 | I600-T602 HydrophobicContact CG2-CG2 4.27Š| ||
| 603 | T | 30.3 | Very low | 41.8 | Very low | 137 Ų | 137 | 107 Ų | 107 | 84% | 0.84 | 60% | 0.598 | S | S | * | * | trans | -167.1 | 93.4 | 144.9 | 13.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 604 | T | 30.7 | Very low | 40 | Very low | 107 Ų | 107 | 110.6 Ų | 110.6 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | 64.6 | 101.2 | 69.3 | 70.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 605 | N | 28.1 | Very low | 37.9 | Very low | 157 Ų | 157 | 113.8 Ų | 113.8 | 84% | 0.84 | 64% | 0.637 | S | S | * | * | -177.9 | 138.1 | 128.9 | -94.1 | -17.4 | 0 | 0 | 0 | 108.6 | |||||
| 606 | T | 28.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | cis | -141.7 | 143.1 | 11.5 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 607 | T | 28.9 | Very low | 33.7 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | trans | 56 | 142.3 | 140.2 | 62.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 608 | N | 30 | Very low | 31.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | cis | -166.9 | 155.3 | -8.3 | -111 | -4.2 | 0 | 0 | 0 | 110.4 | ||||
| 609 | N | 31.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | 66.1 | 140.5 | 150.1 | -60.8 | -2.2 | 0 | 0 | 0 | 119.2 | ||||
| 610 | T | 29.3 | Very low | 30 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | cis | -165.8 | 145.2 | -11 | 16.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 611 | T | 28.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | 56.4 | 141.6 | 145.3 | 60.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 612 | T | 26.7 | Very low | 30 | Very low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | cis | -159.5 | 134.3 | 1.6 | 4.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 613 | T | 27.6 | Very low | 30.8 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | trans | 29.5 | 122.9 | 141.6 | 56.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 614 | T | 32.2 | Very low | 32 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | trans | -154.2 | 166.9 | 137.5 | 9.7 | 0 | 0 | 0 | 0 | 110.3 | T1806 | T614-T1806 VanDerWaalsContact CB-OG1 3.24Å; T614-T1806 WeakPolarHBondContact CB-OG1 3.24Å; T614-T1806 PolarHBondContact OG1-OG1 3.48Å | ||
| 615 | T | 26.7 | Very low | 33.3 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | trans | -94.7 | 165 | -145.7 | 31.9 | 0 | 0 | 0 | 0 | 118.3 | T1807 | T615-T1807 WeakPolarHBondContact O-CG2 3.18Å; T615-T1807 VanDerWaalsContact OG1-CG2 3.31Å; T615-T1807 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 616 | H | 27.1 | Very low | 34.7 | Very low | 143 Ų | 143 | 109 Ų | 109 | 66% | 0.662 | 58% | 0.579 | S | S | * | * | trans | 50.7 | 105.8 | 147.1 | -86.5 | -81 | 0 | 0 | 0 | 121.6 | ||||
| 617 | N | 27.4 | Very low | 36.3 | Very low | 112 Ų | 112 | 109.8 Ų | 109.8 | 60% | 0.599 | 58% | 0.578 | S | S | * | * | 154.4 | 145.9 | 108.3 | -81.6 | -18.4 | 0 | 0 | 0 | 114.4 | K619 | N617-K619 PolarHBondContact O-N 2.8Š| |||
| 618 | N | 29 | Very low | 38 | Very low | 172 Ų | 172 | 110 Ų | 110 | 92% | 0.92 | 57% | 0.572 | S | S | * | * | trans | -25 | 87.9 | 176.2 | -64.9 | -7.5 | 0 | 0 | 0 | 116.7 | ||||
| 619 | K | 30.6 | Very low | 39.5 | Very low | 192 Ų | 192 | 106.2 Ų | 106.2 | 84% | 0.835 | 56% | 0.562 | S | S | * | * | trans | -105.5 | 92.9 | 174.5 | -148.7 | 169.6 | -170.4 | 177.7 | 0 | 110.4 | N617 I621 | N617-K619 PolarHBondContact O-N 2.8Å; K619-I621 PolarHBondContact O-N 2.88Å; K619-I621 VanDerWaalsContact O-N 3.09Å | ||
| 620 | R | 32.2 | Very low | 41.3 | Very low | 201 Ų | 201 | 101.2 Ų | 101.2 | 76% | 0.758 | 54% | 0.538 | S | S | * | . | trans | -55.1 | 114.8 | 166.6 | -75.5 | -178.1 | 176.3 | 165.3 | -0.5 | 107.9 | ||||
| 621 | I | 36.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 100.5 Ų | 100.5 | 60% | 0.595 | 53% | 0.53 | S | S | * | . | trans | -67.9 | 138.1 | 177.8 | -56.2 | 175.9 | 0 | 0 | 0 | 107.7 | K619 M623 | K619-I621 PolarHBondContact O-N 2.88Å; K619-I621 VanDerWaalsContact O-N 3.09Å; I621-M623 HydrophobicContact CB-CE 4.13Å; I621-M623 HydrophobicContact CB-CG 3.88Å; I621-M623 HydrophobicContact CB-SD 4.13Å; I621-M623 HydrophobicContact CG2-CG 3.69Å; I621-M623 HydrophobicContact CG2-SD 4.35Å; I621-M623 PolarHBondContact O-N 2.8Å | ||
| 622 | N | 39.6 | Very low | 45.9 | Very low | 70 Ų | 70 | 95.3 Ų | 95.3 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | trans | -77.4 | 56.5 | -172.9 | -160.7 | 21.1 | 0 | 0 | 0 | 112.1 | K624 | N622-K624 PolarHBondContact O-N 2.85Š| ||
| 623 | M | 45.6 | Very low | 48.6 | Very low | 49 Ų | 49 | 91.5 Ų | 91.5 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 43.7 | -172.5 | -61.6 | 175.6 | -69.3 | 0 | 0 | 112.5 | I596 I621 L626 | I596-M623 HydrophobicContact CB-CE 3.61Å; I596-M623 HydrophobicContact CD1-CB 4.17Å; I596-M623 HydrophobicContact CD1-CE 4.16Å; I596-M623 HydrophobicContact CG1-CE 4.45Å; I596-M623 HydrophobicContact CG2-CE 3.62Å; I596-M623 HydrophobicContact CG2-SD 4.02Å; I621-M623 HydrophobicContact CB-CE 4.13Å; I621-M623 HydrophobicContact CB-CG 3.88Å; I621-M623 HydrophobicContact CB-SD 4.13Å; I621-M623 HydrophobicContact CG2-CG 3.69Å; I621-M623 HydrophobicContact CG2-SD 4.35Å; I621-M623 PolarHBondContact O-N 2.8Å; M623-L626 HydrophobicContact CB-CD2 4.29Å; M623-L626 HydrophobicContact CB-CG 4.26Å; M623-L626 WeakPolarHBondContact O-CD1 3.34Å; M623-L626 WeakPolarHBondContact O-CG 3.41Å |
| 624 | K | 54.7 | Low | 51.3 | Low | 43 Ų | 43 | 85.7 Ų | 85.7 | 19% | 0.187 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -23.1 | -179.1 | -168.5 | 178.1 | -96.7 | -160.1 | 0 | 112.3 | N622 H708 L709 L1943 F1944 | N622-K624 PolarHBondContact O-N 2.85Å; K624-H708 WeakPolarHBondContact CG-O 3.42Å; K624-L709 WeakPolarHBondContact O-CD1 3.37Å; K624-L1943 HydrophobicContact CD-CD2 3.68Å; K624-L1943 HydrophobicContact CG-CD2 4.32Å; K624-L1943 VanDerWaalsContact NZ-CD2 3.32Å; K624-F1944 HydrophobicContact CB-CE1 4.08Å; K624-F1944 HydrophobicContact CB-CZ 3.77Å; K624-F1944 HydrophobicContact CD-CD1 4.12Å; K624-F1944 HydrophobicContact CD-CD2 4.17Å; K624-F1944 HydrophobicContact CD-CE1 3.69Å; K624-F1944 HydrophobicContact CD-CE2 3.72Å; K624-F1944 HydrophobicContact CD-CG 4.32Å; K624-F1944 HydrophobicContact CD-CZ 3.39Å; K624-F1944 HydrophobicContact CG-CD1 4.17Å; K624-F1944 HydrophobicContact CG-CE1 3.45Å; K624-F1944 VanDerWaalsContact CG-CE1 3.45Å; K624-F1944 HydrophobicContact CG-CE2 4.3Å; K624-F1944 HydrophobicContact CG-CZ 3.46Å; K624-F1944 VanDerWaalsContact CG-CZ 3.46Å |
| 625 | Y | 58.6 | Low | 53.7 | Low | 24 Ų | 24 | 82.4 Ų | 82.4 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -101.3 | 78.1 | 157.2 | -56.1 | -87.4 | 0 | 0 | 0 | 107.6 | L709 I710 L1689 Q1691 F1944 | Y625-L709 WeakPolarHBondContact CD1-O 3.27Å; Y625-L709 WeakPolarHBondContact CE1-O 3.48Å; Y625-I710 HydrophobicContact CE1-CG2 4.46Å; Y625-L1689 HydrophobicContact CD1-CD2 3.11Å; Y625-L1689 HydrophobicContact CE1-CD2 3.74Å; Y625-L1689 HydrophobicContact CG-CD2 3.89Å; Y625-Q1691 HydrophobicContact CD2-CB 4.3Å; Y625-Q1691 HydrophobicContact CD2-CG 3.18Å; Y625-Q1691 HydrophobicContact CE2-CB 3.91Å; Y625-Q1691 HydrophobicContact CE2-CG 3.21Å; Y625-Q1691 HydrophobicContact CG-CG 4.28Å; Y625-Q1691 PolarHBondContact OH-N 3.3Å; Y625-F1944 AromaticContact CD1-CE1 3.72Å; Y625-F1944 HydrophobicContact CD1-CE1 3.72Å; Y625-F1944 HydrophobicContact CD1-CZ 4.25Å; Y625-F1944 AromaticContact CD2-CE1 3.7Å; Y625-F1944 HydrophobicContact CD2-CE1 3.7Å; Y625-F1944 HydrophobicContact CD2-CE2 4.41Å; Y625-F1944 AromaticContact CD2-CZ 3.4Å; Y625-F1944 HydrophobicContact CD2-CZ 3.4Å; Y625-F1944 HydrophobicContact CE1-CD1 4.01Å; Y625-F1944 AromaticContact CE1-CE1 3.45Å; Y625-F1944 HydrophobicContact CE1-CE1 3.45Å; Y625-F1944 VanDerWaalsContact CE1-CE1 3.45Å; Y625-F1944 AromaticContact CE1-CZ 3.9Å; Y625-F1944 HydrophobicContact CE1-CZ 3.9Å; Y625-F1944 HydrophobicContact CE2-CD1 4.42Å; Y625-F1944 AromaticContact CE2-CE1 3.38Å; Y625-F1944 HydrophobicContact CE2-CE1 3.38Å; Y625-F1944 AromaticContact CE2-CE2 3.55Å; Y625-F1944 HydrophobicContact CE2-CE2 3.55Å; Y625-F1944 AromaticContact CE2-CZ 2.89Å; Y625-F1944 HydrophobicContact CE2-CZ 2.89Å; Y625-F1944 AromaticContact CG-CE1 3.92Å; Y625-F1944 HydrophobicContact CG-CE1 3.92Å; Y625-F1944 HydrophobicContact CG-CZ 4.1Å; Y625-F1944 AromaticContact CZ-CD1 3.95Å; Y625-F1944 AromaticContact CZ-CE1 3.28Å; Y625-F1944 AromaticContact CZ-CE2 3.73Å; Y625-F1944 AromaticContact CZ-CZ 3.22Å |
| 626 | L | 57.5 | Low | 56.5 | Low | 54 Ų | 54 | 78.4 Ų | 78.4 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | trans | -70.1 | 134.5 | 172.1 | -88.1 | 159 | 0 | 0 | 0 | 109 | I596 M623 L684 | I596-L626 HydrophobicContact CD1-CD1 4.1Å; M623-L626 HydrophobicContact CB-CD2 4.29Å; M623-L626 HydrophobicContact CB-CG 4.26Å; M623-L626 WeakPolarHBondContact O-CD1 3.34Å; M623-L626 WeakPolarHBondContact O-CG 3.41Å; L626-L684 HydrophobicContact CD1-CD1 4.05Å; L626-L684 HydrophobicContact CD2-CD1 4.28Å | ||
| 627 | I | 61.2 | Low | 59.2 | Low | 124 Ų | 124 | 76.9 Ų | 76.9 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | trans | -83.3 | 128.2 | 168 | -51 | 176.6 | 0 | 0 | 0 | 106.1 | G629 | I627-G629 PolarHBondContact O-N 2.67Š| ||
| 628 | E | 65.7 | Low | 61.9 | Low | 117 Ų | 117 | 72.7 Ų | 72.7 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -33.6 | 120.6 | 161.2 | 174.8 | 163.8 | -130 | 0 | 0 | 112 | S686 | E628-S686 VanDerWaalsContact CD-CB 3.48Å; E628-S686 WeakPolarHBondContact OE1-CB 3.33Å; E628-S686 PolarHBondContact OE1-N 2.87Å; E628-S686 PolarHBondContact OE1-OG 2.99Å |
| 629 | G | 61.6 | Low | 64.5 | Low | 46 Ų | 46 | 70.1 Ų | 70.1 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 110.9 | 53.8 | 174 | 0 | 0 | 0 | 0 | 0 | 118.4 | I627 L684 | I627-G629 PolarHBondContact O-N 2.67Å; G629-L684 WeakPolarHBondContact CA-O 3.27Å; G629-L684 PolarHBondContact N-O 3.1Å |
| 630 | S | 68.1 | Low | 66.8 | Low | 26 Ų | 26 | 62.4 Ų | 62.4 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -154.6 | 162.5 | 176.7 | 60.7 | 0 | 0 | 0 | 0 | 117.7 | N683 L684 | S630-N683 PolarHBondContact O-N 2.94Å; S630-L684 WeakPolarHBondContact O-CB 3.47Å; S630-L684 VanDerWaalsContact O-CG 3.28Å; S630-L684 WeakPolarHBondContact O-CG 3.35Å; S630-L684 PolarHBondContact O-N 3.46Å | ||
| 631 | N | 77.4 | Confident | 69 | Low | 91 Ų | 91 | 53.9 Ų | 53.9 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -96 | 145 | -179.3 | -64 | -2.1 | 0 | 0 | 0 | 113.4 | V682 N683 | N631-V682 WeakPolarHBondContact OD1-CG1 3.1Å; N631-N683 PolarHBondContact OD1-N 2.98Å | ||
| 632 | I | 78.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 156.8 | -179.1 | 59.7 | 174.5 | 0 | 0 | 0 | 113.6 | I596 L634 I681 L684 | I596-I632 HydrophobicContact CD1-CG2 4.44Å; I596-I632 HydrophobicContact CG2-CB 4.07Å; I596-I632 HydrophobicContact CG2-CG2 3.7Å; I632-L634 HydrophobicContact CD1-CD1 4.19Å; I632-L634 HydrophobicContact CD1-CD2 4.27Å; I632-L634 HydrophobicContact CD1-CG 4.15Å; I632-I681 HydrophobicContact CD1-CB 4.34Å; I632-I681 HydrophobicContact CD1-CD1 3.82Å; I632-I681 HydrophobicContact CG1-CB 3.86Å; I632-I681 HydrophobicContact CG1-CD1 4.15Å; I632-I681 PolarHBondContact N-O 3.22Å; I632-I681 PolarHBondContact O-N 2.98Å; I632-L684 HydrophobicContact CD1-CD1 4.27Å; I632-L684 HydrophobicContact CD1-CD2 4.25Å; I632-L684 HydrophobicContact CG2-CD1 4.25Å |
| 633 | Q | 82.6 | Confident | 72.5 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.9 | 160.6 | 169.3 | 173.8 | -43.3 | 0 | 0 | 108.3 | I596 E597 L679 I680 | I596-Q633 CarbonylContact C-O 3.56Å; I596-Q633 WeakPolarHBondContact CA-O 3.49Å; E597-Q633 HydrophobicContact CB-CB 4.08Å; E597-Q633 HydrophobicContact CB-CG 4.07Å; E597-Q633 PolarHBondContact N-O 3.23Å; E597-Q633 PolarHBondContact O-N 3.5Å; E597-Q633 PolarHBondContact OE2-NE2 2.82Å; Q633-L679 CarbonylContact C-O 3.6Å; Q633-I680 HydrophobicContact CB-CG1 4.16Å; Q633-I680 HydrophobicContact CG-CG1 3.95Å |
| 634 | L | 83.4 | Confident | 74 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 107.6 | -174.3 | -67.6 | 176.6 | 0 | 0 | 0 | 109.7 | P594 L595 I596 I632 W652 S678 L679 I681 Y692 | P594-L634 HydrophobicContact CB-CB 4.4Å; P594-L634 HydrophobicContact CB-CD2 4.12Å; L595-L634 VanDerWaalsContact O-CA 3.29Å; L595-L634 WeakPolarHBondContact O-CA 3.35Å; I596-L634 HydrophobicContact CB-CD2 4.48Å; I596-L634 HydrophobicContact CG1-CD2 3.55Å; I632-L634 HydrophobicContact CD1-CD1 4.19Å; I632-L634 HydrophobicContact CD1-CD2 4.27Å; I632-L634 HydrophobicContact CD1-CG 4.15Å; L634-W652 HydrophobicContact CB-CH2 3.65Å; L634-W652 HydrophobicContact CB-CZ3 3.79Å; L634-W652 HydrophobicContact CD1-CZ3 4.17Å; L634-W652 VanDerWaalsContact O-CH2 3.23Å; L634-W652 WeakPolarHBondContact O-CH2 3.31Å; L634-W652 VanDerWaalsContact O-CZ2 3.22Å; L634-W652 WeakPolarHBondContact O-CZ2 3.49Å; L634-S678 CarbonylContact O-C 3.44Å; L634-S678 WeakPolarHBondContact O-CA 3.39Å; L634-L679 WeakPolarHBondContact CA-O 3.43Å; L634-L679 HydrophobicContact CB-CB 4.3Å; L634-L679 WeakPolarHBondContact CB-O 3.5Å; L634-L679 HydrophobicContact CD1-CD2 4.09Å; L634-L679 PolarHBondContact N-O 3.5Å; L634-L679 PolarHBondContact O-N 2.82Å; L634-I681 HydrophobicContact CD1-CD1 3.56Å; L634-I681 HydrophobicContact CG-CD1 4.38Å; L634-Y692 HydrophobicContact CD1-CD1 3.9Å; L634-Y692 HydrophobicContact CD1-CG 4.07Å |
| 635 | A | 83.7 | Confident | 75 | Confident | 16 Ų | 16 | 60 Ų | 60 | 13% | 0.132 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 148.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G593 P594 L595 E677 | G593-A635 WeakPolarHBondContact CA-O 3.39Å; P594-A635 CarbonylContact C-O 3.51Å; P594-A635 WeakPolarHBondContact CA-O 3.48Å; L595-A635 PolarHBondContact N-O 2.88Å; L595-A635 PolarHBondContact O-N 2.95Å; L595-A635 VanDerWaalsContact O-N 3.1Å; A635-E677 CarbonylContact C-O 3.57Å; A635-E677 WeakPolarHBondContact CA-O 3.22Å |
| 636 | C | 84.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 130.5 | 179.8 | -170.5 | 0 | 0 | 0 | 0 | 113.8 | S592 W652 E677 C694 | S592-C636 CarbonylContact O-C 3.59Å; S592-C636 WeakPolarHBondContact O-CA 3.3Å; C636-W652 HydrophobicContact CB-CH2 3.85Å; C636-W652 HydrophobicContact CB-CZ2 3.59Å; C636-E677 PolarHBondContact N-O 3.21Å; C636-E677 WeakPolarHBondContact O-CB 3.5Å; C636-C694 HydrophobicContact CB-CB 3.57Å; C636-C694 WeakPolarHBondContact CB-SG 3.48Å; C636-C694 WeakPolarHBondContact SG-CB 3.21Å; C636-C694 CovalentContact SG-SG 2.05Å; C636-C694 PolarHBondContact SG-SG 3.47Å |
| 637 | K | 83.6 | Confident | 76.8 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.4 | -170.7 | -172.6 | -167.9 | 177.7 | -174.2 | 0 | 111.7 | I590 I591 S592 | I590-K637 CarbonylContact C-O 3.57Å; I590-K637 WeakPolarHBondContact CA-O 3.43Å; I591-K637 HydrophobicContact CB-CD 4.26Å; I591-K637 HydrophobicContact CB-CG 4.38Å; I591-K637 HydrophobicContact CD1-CD 4.21Å; I591-K637 HydrophobicContact CD1-CG 4.21Å; I591-K637 HydrophobicContact CG2-CD 4.3Å; I591-K637 PolarHBondContact N-O 3.04Å; S592-K637 PolarHBondContact N-O 3.29Å; S592-K637 PolarHBondContact O-N 2.67Å |
| 638 | V | 84.3 | Confident | 77.8 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 153.4 | -166 | -159.5 | 0 | 0 | 0 | 0 | 114.1 | T588 R589 I590 L648 I650 A696 | T588-V638 HydrophobicContact CG2-CG1 3.72Å; R589-V638 CarbonylContact O-C 3.43Å; R589-V638 WeakPolarHBondContact O-CA 3.27Å; R589-V638 WeakPolarHBondContact O-CG1 3.16Å; I590-V638 HydrophobicContact CG1-CG1 4.49Å; I590-V638 HydrophobicContact CG1-CG2 4.38Å; V638-L648 HydrophobicContact CB-CD1 4.16Å; V638-L648 HydrophobicContact CB-CD2 4.13Å; V638-L648 HydrophobicContact CG1-CD1 3.87Å; V638-L648 HydrophobicContact CG2-CD1 4.42Å; V638-I650 HydrophobicContact CG2-CD1 3.76Å; V638-I650 HydrophobicContact CG2-CG1 4.11Å; V638-A696 HydrophobicContact CB-CB 4.27Å; V638-A696 HydrophobicContact CG1-CB 3.64Å; V638-A696 HydrophobicContact CG2-CB 3.57Å |
| 639 | E | 83 | Confident | 78.6 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.5 | 171.7 | -124.4 | 162.6 | -123.5 | 0 | 0 | 109.7 | T588 R589 I591 | T588-E639 CarbonylContact C-O 3.53Å; T588-E639 WeakPolarHBondContact CA-O 3.44Å; T588-E639 VanDerWaalsContact CG2-O 3.3Å; T588-E639 WeakPolarHBondContact CG2-O 3.29Å; R589-E639 PolarHBondContact N-O 2.7Å; R589-E639 PolarHBondContact O-N 3.05Å; I591-E639 HydrophobicContact CD1-CB 3.83Å; I591-E639 HydrophobicContact CD1-CG 3.8Å; I591-E639 VanDerWaalsContact CD1-OE1 3.31Å; I591-E639 WeakPolarHBondContact CD1-OE1 3.48Å; I591-E639 HydrophobicContact CG1-CB 3.82Å; I591-E639 HydrophobicContact CG1-CG 4.24Å |
| 640 | T | 79.1 | Confident | 79.7 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | trans | -150.9 | 173.6 | 178.4 | -169.9 | 0 | 0 | 0 | 0 | 113.1 | T588 K645 T698 | T588-T640 WeakPolarHBondContact OG1-CB 3.4Å; T588-T640 PolarHBondContact OG1-OG1 2.95Å; T640-K645 HydrophobicContact CG2-CB 4.27Å; T640-T698 HydrophobicContact CG2-CG2 4.28Å; T640-T698 WeakPolarHBondContact OG1-CG2 3.48Å | ||
| 641 | D | 78.5 | Confident | 80.6 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | trans | -60.3 | 136.8 | 172.8 | -175.2 | -86.1 | 0 | 0 | 0 | 110.8 | K586 L643 H644 L700 | K586-D641 HydrophobicContact CB-CB 4.28Å; D641-L643 PolarHBondContact O-N 3.46Å; D641-L643 WeakPolarHBondContact OD1-CB 3.45Å; D641-L643 WeakPolarHBondContact OD1-CG 3.45Å; D641-L643 PolarHBondContact OD1-N 2.96Å; D641-H644 PolarHBondContact O-N 2.92Å; D641-H644 IonicContact OD1-ND1 3.49Å; D641-L700 HydrophobicContact CB-CD1 3.69Å | ||
| 642 | P | 77.8 | Confident | 81 | Confident | 104 Ų | 104 | 58.6 Ų | 58.6 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.3 | -176.4 | -29 | 36.4 | 0 | 0 | 0 | 115.5 | H644 | P642-H644 PolarHBondContact O-N 2.85Š|
| 643 | L | 73.8 | Confident | 81.3 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9 | 179.6 | -61.2 | 170.6 | 0 | 0 | 0 | 113.8 | D641 | D641-L643 PolarHBondContact O-N 3.46Å; D641-L643 WeakPolarHBondContact OD1-CB 3.45Å; D641-L643 WeakPolarHBondContact OD1-CG 3.45Å; D641-L643 PolarHBondContact OD1-N 2.96Å |
| 644 | H | 75.1 | Confident | 81.4 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 15% | 0.148 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -128.1 | 5.3 | -169.1 | -64.7 | 89.8 | 0 | 0 | 0 | 114.5 | D641 P642 D646 Q647 T698 L700 | D641-H644 PolarHBondContact O-N 2.92Å; D641-H644 IonicContact OD1-ND1 3.49Å; P642-H644 PolarHBondContact O-N 2.85Å; H644-D646 VanDerWaalsContact C-N 3.35Å; H644-D646 PolarHBondContact O-N 2.82Å; H644-Q647 PolarHBondContact O-N 3.39Å; H644-Q647 VanDerWaalsContact O-N 3.15Å; H644-T698 HydrophobicContact CB-CG2 4.41Å; H644-L700 VanDerWaalsContact CE1-CG 3.47Å; H644-L700 WeakPolarHBondContact CE1-CG 3.43Å; H644-L700 WeakPolarHBondContact ND1-CD1 3.32Å; H644-L700 WeakPolarHBondContact ND1-CG 3.11Å |
| 645 | K | 76.2 | Confident | 81 | Confident | 146 Ų | 146 | 62.5 Ų | 62.5 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -58 | -41.4 | -174.9 | -169.7 | -175.4 | 176.4 | -168.7 | 0 | 113.9 | T640 Q647 L648 | T640-K645 HydrophobicContact CG2-CB 4.27Å; K645-Q647 PolarHBondContact O-N 3.02Å; K645-Q647 VanDerWaalsContact O-N 3.13Å; K645-L648 WeakPolarHBondContact O-CB 3.32Å; K645-L648 PolarHBondContact O-N 2.99Å |
| 646 | D | 78.1 | Confident | 80.3 | Confident | 163 Ų | 163 | 66.9 Ų | 66.9 | 87% | 0.872 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -78.5 | 6.8 | -176 | -51 | -35.8 | 0 | 0 | 0 | 113.2 | H644 | H644-D646 VanDerWaalsContact C-N 3.35Å; H644-D646 PolarHBondContact O-N 2.82Å |
| 647 | Q | 76.1 | Confident | 79.8 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -118.7 | 7.7 | 179.7 | -60.5 | 165.1 | 17.5 | 0 | 0 | 111.7 | H644 K645 T649 K699 | H644-Q647 PolarHBondContact O-N 3.39Å; H644-Q647 VanDerWaalsContact O-N 3.15Å; K645-Q647 PolarHBondContact O-N 3.02Å; K645-Q647 VanDerWaalsContact O-N 3.13Å; Q647-T649 PolarHBondContact O-N 3.16Å; Q647-K699 VanDerWaalsContact OE1-CE 3.25Å |
| 648 | L | 82.3 | Confident | 79.5 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | trans | -70.2 | 123.5 | 178.4 | 174.4 | 62.9 | 0 | 0 | 0 | 111.3 | V638 K645 A696 S697 | V638-L648 HydrophobicContact CB-CD1 4.16Å; V638-L648 HydrophobicContact CB-CD2 4.13Å; V638-L648 HydrophobicContact CG1-CD1 3.87Å; V638-L648 HydrophobicContact CG2-CD1 4.42Å; K645-L648 WeakPolarHBondContact O-CB 3.32Å; K645-L648 PolarHBondContact O-N 2.99Å; L648-A696 HydrophobicContact CD1-CB 4.11Å; L648-S697 WeakPolarHBondContact CA-O 3.36Å | ||
| 649 | T | 83 | Confident | 79.1 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.7 | 169.9 | 66 | 0 | 0 | 0 | 0 | 111.2 | Q647 A696 S697 | Q647-T649 PolarHBondContact O-N 3.16Å; T649-A696 VanDerWaalsContact O-CA 3.31Å; T649-A696 WeakPolarHBondContact O-CA 3.23Å; T649-S697 PolarHBondContact N-O 2.91Å; T649-S697 PolarHBondContact O-N 2.9Å; T649-S697 PolarHBondContact OG1-OG 2.92Å |
| 650 | I | 85.2 | Confident | 78.6 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.5 | 177.1 | -55 | 178.3 | 0 | 0 | 0 | 109.7 | V638 N676 E677 I695 | V638-I650 HydrophobicContact CG2-CD1 3.76Å; V638-I650 HydrophobicContact CG2-CG1 4.11Å; I650-N676 HydrophobicContact CB-CB 4.22Å; I650-N676 WeakPolarHBondContact O-CB 3.29Å; I650-N676 PolarHBondContact O-ND2 2.92Å; I650-N676 VanDerWaalsContact O-ND2 3.07Å; I650-E677 HydrophobicContact CD1-CG 3.78Å; I650-I695 WeakPolarHBondContact CA-O 3.18Å |
| 651 | V | 85.3 | Confident | 78.2 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.9 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | I695 | V651-I695 PolarHBondContact N-O 2.79Å; V651-I695 PolarHBondContact O-N 2.89Å |
| 652 | W | 86 | Confident | 77.6 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.2 | 179.7 | -74.1 | 92 | 0 | 0 | 0 | 112.1 | P594 L634 C636 L659 N676 L679 C694 | P594-W652 HydrophobicContact CB-CH2 3.9Å; P594-W652 HydrophobicContact CB-CZ3 3.74Å; P594-W652 HydrophobicContact CG-CH2 4.11Å; P594-W652 HydrophobicContact CG-CZ3 3.7Å; L634-W652 HydrophobicContact CB-CH2 3.65Å; L634-W652 HydrophobicContact CB-CZ3 3.79Å; L634-W652 HydrophobicContact CD1-CZ3 4.17Å; L634-W652 VanDerWaalsContact O-CH2 3.23Å; L634-W652 WeakPolarHBondContact O-CH2 3.31Å; L634-W652 VanDerWaalsContact O-CZ2 3.22Å; L634-W652 WeakPolarHBondContact O-CZ2 3.49Å; C636-W652 HydrophobicContact CB-CH2 3.85Å; C636-W652 HydrophobicContact CB-CZ2 3.59Å; W652-L659 HydrophobicContact CB-CD1 3.5Å; W652-L659 HydrophobicContact CB-CD2 4.31Å; W652-L659 HydrophobicContact CB-CG 3.83Å; W652-L659 HydrophobicContact CG-CD1 4.35Å; W652-N676 PolarHBondContact NE1-O 2.84Å; W652-L679 HydrophobicContact CB-CD2 4.12Å; W652-L679 HydrophobicContact CD2-CB 3.67Å; W652-L679 HydrophobicContact CD2-CD2 3.79Å; W652-L679 HydrophobicContact CD2-CG 4.39Å; W652-L679 HydrophobicContact CE3-CB 3.98Å; W652-L679 HydrophobicContact CE3-CD2 3.51Å; W652-L679 HydrophobicContact CE3-CG 4.4Å; W652-L679 HydrophobicContact CG-CB 4.05Å; W652-L679 HydrophobicContact CG-CD2 4.08Å; W652-L679 HydrophobicContact CH2-CB 4.35Å; W652-L679 HydrophobicContact CZ2-CB 4.08Å; W652-L679 HydrophobicContact CZ3-CB 4.29Å; W652-L679 HydrophobicContact CZ3-CD2 4.15Å; W652-C694 HydrophobicContact CD2-CB 4.07Å; W652-C694 HydrophobicContact CE3-CB 3.96Å; W652-C694 HydrophobicContact CH2-CB 3.89Å; W652-C694 HydrophobicContact CZ2-CB 3.98Å; W652-C694 HydrophobicContact CZ3-CB 3.88Å |
| 653 | K | 84.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 158.3 | 177.2 | -72.8 | -152.1 | 167.5 | -164.1 | 0 | 111.3 | N656 L657 M693 I695 | K653-N656 VanDerWaalsContact CD-O 3.32Å; K653-N656 WeakPolarHBondContact CD-O 3.38Å; K653-N656 WeakPolarHBondContact CE-O 3.34Å; K653-N656 PolarHBondContact NZ-O 2.75Å; K653-L657 WeakPolarHBondContact CA-O 3.48Å; K653-L657 WeakPolarHBondContact CB-O 3.02Å; K653-L657 VanDerWaalsContact CG-O 3.3Å; K653-L657 WeakPolarHBondContact CG-O 3.37Å; K653-M693 HydrophobicContact CB-CB 4.32Å; K653-M693 HydrophobicContact CB-CE 3.9Å; K653-M693 HydrophobicContact CD-CE 3.97Å; K653-M693 HydrophobicContact CG-CE 4.36Å; K653-M693 PolarHBondContact N-O 3.39Å; K653-M693 PolarHBondContact O-N 2.69Å; K653-I695 HydrophobicContact CD-CD1 3.9Å; K653-I695 HydrophobicContact CG-CD1 3.95Å |
| 654 | K | 84.4 | Confident | 76.4 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.2 | 164.8 | 160.4 | -169.4 | 163.6 | -164.4 | 0 | 106 | N656 L657 A662 F663 S687 D688 Y692 | K654-N656 PolarHBondContact O-N 3.49Å; K654-N656 VanDerWaalsContact O-N 3.14Å; K654-L657 PolarHBondContact N-O 3.31Å; K654-L657 WeakPolarHBondContact O-CA 3.46Å; K654-L657 WeakPolarHBondContact O-CB 3.39Å; K654-L657 PolarHBondContact O-N 3.15Å; K654-A662 HydrophobicContact CB-CB 3.65Å; K654-A662 HydrophobicContact CD-CB 3.78Å; K654-A662 HydrophobicContact CG-CB 3.89Å; K654-A662 PolarHBondContact NZ-O 3.12Å; K654-F663 HydrophobicContact CB-CE2 4.22Å; K654-F663 HydrophobicContact CD-CD2 4.29Å; K654-F663 HydrophobicContact CD-CE2 3.67Å; K654-F663 HydrophobicContact CD-CZ 3.88Å; K654-S687 WeakPolarHBondContact CE-O 3.34Å; K654-S687 PolarHBondContact NZ-O 2.89Å; K654-D688 IonicContact NZ-OD1 2.88Å; K654-D688 PolarHBondContact NZ-OD1 2.82Å; K654-Y692 HydrophobicContact CB-CD1 3.99Å; K654-Y692 HydrophobicContact CB-CE1 3.85Å; K654-Y692 HydrophobicContact CD-CE1 4.04Å; K654-Y692 HydrophobicContact CG-CD1 4.47Å; K654-Y692 HydrophobicContact CG-CE1 4.06Å |
| 655 | D | 75.6 | Confident | 75.6 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39.3 | 176 | -58.9 | -54.1 | 0 | 0 | 0 | 114 | L657 G690 I691 | D655-L657 PolarHBondContact O-N 3.13Å; D655-G690 WeakPolarHBondContact OD1-CA 3.48Å; D655-G690 WeakPolarHBondContact OD2-CA 3.04Å; D655-I691 PolarHBondContact N-O 3.18Å; D655-I691 PolarHBondContact OD1-N 3.33Å |
| 656 | N | 68.4 | Low | 74.9 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -1.9 | -173.4 | -63.9 | -33 | 0 | 0 | 0 | 116.6 | K653 K654 M693 | K653-N656 VanDerWaalsContact CD-O 3.32Å; K653-N656 WeakPolarHBondContact CD-O 3.38Å; K653-N656 WeakPolarHBondContact CE-O 3.34Å; K653-N656 PolarHBondContact NZ-O 2.75Å; K654-N656 PolarHBondContact O-N 3.49Å; K654-N656 VanDerWaalsContact O-N 3.14Å; N656-M693 WeakPolarHBondContact OD1-CE 3.27Å |
| 657 | L | 75.2 | Confident | 74.3 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 45% | 0.445 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 154.3 | 165.3 | -64.5 | 174.6 | 0 | 0 | 0 | 110.6 | K653 K654 D655 D661 A662 | K653-L657 WeakPolarHBondContact CA-O 3.48Å; K653-L657 WeakPolarHBondContact CB-O 3.02Å; K653-L657 VanDerWaalsContact CG-O 3.3Å; K653-L657 WeakPolarHBondContact CG-O 3.37Å; K654-L657 PolarHBondContact N-O 3.31Å; K654-L657 WeakPolarHBondContact O-CA 3.46Å; K654-L657 WeakPolarHBondContact O-CB 3.39Å; K654-L657 PolarHBondContact O-N 3.15Å; D655-L657 PolarHBondContact O-N 3.13Å; L657-D661 HydrophobicContact CB-CB 4.16Å; L657-D661 HydrophobicContact CD2-CB 4.18Å; L657-A662 HydrophobicContact CB-CB 3.68Å; L657-A662 HydrophobicContact CD1-CB 4.31Å |
| 658 | T | 77.1 | Confident | 74.3 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 168.7 | 170.5 | 76.9 | 0 | 0 | 0 | 0 | 110.4 | Q660 D661 A662 | T658-Q660 PolarHBondContact O-N 3.38Å; T658-Q660 PolarHBondContact OG1-N 3.25Å; T658-D661 WeakPolarHBondContact CA-OD2 3.03Å; T658-D661 WeakPolarHBondContact CB-OD2 3.35Å; T658-D661 WeakPolarHBondContact CG2-OD2 3.41Å; T658-D661 PolarHBondContact N-OD2 3.5Å; T658-D661 PolarHBondContact O-N 3.24Å; T658-D661 VanDerWaalsContact O-N 3.11Å; T658-D661 PolarHBondContact OG1-N 2.73Å; T658-D661 PolarHBondContact OG1-OD1 2.55Å; T658-D661 PolarHBondContact OG1-OD2 2.72Å; T658-A662 WeakPolarHBondContact O-CB 3.41Å; T658-A662 PolarHBondContact O-N 2.89Å |
| 659 | L | 77 | Confident | 74.1 | Confident | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.6 | 174.7 | -67.7 | -178.5 | 0 | 0 | 0 | 114.1 | W652 F663 L669 I671 L679 | W652-L659 HydrophobicContact CB-CD1 3.5Å; W652-L659 HydrophobicContact CB-CD2 4.31Å; W652-L659 HydrophobicContact CB-CG 3.83Å; W652-L659 HydrophobicContact CG-CD1 4.35Å; L659-F663 HydrophobicContact CD2-CD2 4.41Å; L659-F663 HydrophobicContact CD2-CE2 4.05Å; L659-L669 HydrophobicContact CB-CD1 4.07Å; L659-L669 WeakPolarHBondContact O-CD1 3.43Å; L659-I671 HydrophobicContact CD1-CD1 3.91Å; L659-I671 HydrophobicContact CD1-CG1 4.38Å; L659-L679 HydrophobicContact CD1-CD1 3.49Å; L659-L679 VanDerWaalsContact CD1-CD1 3.49Å; L659-L679 HydrophobicContact CD1-CD2 3.95Å; L659-L679 HydrophobicContact CD1-CG 4.27Å; L659-L679 HydrophobicContact CD2-CD1 4.19Å; L659-L679 HydrophobicContact CD2-CD2 3.68Å; L659-L679 HydrophobicContact CG-CD1 4.49Å; L659-L679 HydrophobicContact CG-CD2 4.42Å |
| 660 | Q | 71.4 | Confident | 73.6 | Confident | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.734 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.2 | 171.7 | -102.1 | 70.4 | 15.8 | 0 | 0 | 112 | T658 | T658-Q660 PolarHBondContact O-N 3.38Å; T658-Q660 PolarHBondContact OG1-N 3.25Å |
| 661 | D | 70 | Confident | 72.9 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -26.6 | -174.4 | -20.1 | -66 | 0 | 0 | 0 | 112.8 | L657 T658 F663 | L657-D661 HydrophobicContact CB-CB 4.16Å; L657-D661 HydrophobicContact CD2-CB 4.18Å; T658-D661 WeakPolarHBondContact CA-OD2 3.03Å; T658-D661 WeakPolarHBondContact CB-OD2 3.35Å; T658-D661 WeakPolarHBondContact CG2-OD2 3.41Å; T658-D661 PolarHBondContact N-OD2 3.5Å; T658-D661 PolarHBondContact O-N 3.24Å; T658-D661 VanDerWaalsContact O-N 3.11Å; T658-D661 PolarHBondContact OG1-N 2.73Å; T658-D661 PolarHBondContact OG1-OD1 2.55Å; T658-D661 PolarHBondContact OG1-OD2 2.72Å; D661-F663 VanDerWaalsContact C-N 3.31Å; D661-F663 PolarHBondContact O-N 3.23Å |
| 662 | A | 66.2 | Low | 71.6 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -83.9 | -4.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | K654 L657 T658 | K654-A662 HydrophobicContact CB-CB 3.65Å; K654-A662 HydrophobicContact CD-CB 3.78Å; K654-A662 HydrophobicContact CG-CB 3.89Å; K654-A662 PolarHBondContact NZ-O 3.12Å; L657-A662 HydrophobicContact CB-CB 3.68Å; L657-A662 HydrophobicContact CD1-CB 4.31Å; T658-A662 WeakPolarHBondContact O-CB 3.41Å; T658-A662 PolarHBondContact O-N 2.89Å |
| 663 | F | 67.3 | Low | 70.3 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | trans | -141.5 | 104.2 | -175.5 | -72.6 | -91.6 | 0 | 0 | 0 | 110.2 | K654 L659 D661 H665 L669 I681 Y692 | K654-F663 HydrophobicContact CB-CE2 4.22Å; K654-F663 HydrophobicContact CD-CD2 4.29Å; K654-F663 HydrophobicContact CD-CE2 3.67Å; K654-F663 HydrophobicContact CD-CZ 3.88Å; L659-F663 HydrophobicContact CD2-CD2 4.41Å; L659-F663 HydrophobicContact CD2-CE2 4.05Å; D661-F663 VanDerWaalsContact C-N 3.31Å; D661-F663 PolarHBondContact O-N 3.23Å; F663-H665 PolarHBondContact O-N 2.97Å; F663-L669 HydrophobicContact CB-CD1 3.99Å; F663-L669 HydrophobicContact CD1-CD2 4.02Å; F663-L669 HydrophobicContact CD1-CG 4.46Å; F663-L669 HydrophobicContact CD2-CD1 3.73Å; F663-L669 HydrophobicContact CD2-CD2 4.02Å; F663-L669 HydrophobicContact CD2-CG 4.39Å; F663-L669 HydrophobicContact CE1-CD2 3.87Å; F663-L669 HydrophobicContact CE2-CD1 4.3Å; F663-L669 HydrophobicContact CE2-CD2 3.86Å; F663-L669 HydrophobicContact CG-CD1 3.84Å; F663-L669 HydrophobicContact CG-CD2 4.09Å; F663-L669 HydrophobicContact CG-CG 4.27Å; F663-L669 HydrophobicContact CZ-CD2 3.77Å; F663-I681 HydrophobicContact CE1-CG2 3.84Å; F663-I681 HydrophobicContact CZ-CD1 4.45Å; F663-I681 HydrophobicContact CZ-CG1 4.18Å; F663-I681 HydrophobicContact CZ-CG2 3.91Å; F663-Y692 HydrophobicContact CE2-CE1 4.07Å; F663-Y692 AromaticContact CZ-CE1 3.79Å; F663-Y692 HydrophobicContact CZ-CE1 3.79Å; F663-Y692 VanDerWaalsContact CZ-OH 3.32Å; F663-Y692 WeakPolarHBondContact CZ-OH 3.31Å | ||
| 664 | E | 59.2 | Low | 69.1 | Low | 192 Ų | 192 | 77 Ų | 77 | 90% | 0.897 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -56.4 | -15.5 | 175.1 | -62.4 | 175 | 118.1 | 0 | 0 | 114.3 | ||
| 665 | H | 58.1 | Low | 68 | Low | 117 Ų | 117 | 80.2 Ų | 80.2 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | trans | -134.1 | 100.2 | -177.5 | -66.6 | 72.6 | 0 | 0 | 0 | 109.9 | F663 D667 | F663-H665 PolarHBondContact O-N 2.97Å; H665-D667 PolarHBondContact O-N 3.39Å | ||
| 666 | S | 61.2 | Low | 67.8 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 52% | 0.524 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -62.4 | -23.4 | -178.4 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | R668 L669 | S666-R668 PolarHBondContact O-N 2.96Å; S666-L669 WeakPolarHBondContact O-CB 3.47Å; S666-L669 PolarHBondContact O-N 3.44Å |
| 667 | D | 66.6 | Low | 68.1 | Low | 144 Ų | 144 | 79.1 Ų | 79.1 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -64.9 | -13.7 | -172.5 | -49.3 | -17.1 | 0 | 0 | 0 | 113.2 | H665 L669 | H665-D667 PolarHBondContact O-N 3.39Å; D667-L669 VanDerWaalsContact C-N 3.32Å |
| 668 | R | 76.3 | Confident | 68.4 | Low | 51 Ų | 51 | 75.9 Ų | 75.9 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -83.9 | -3.4 | 173.3 | -57 | -165.5 | -63.4 | 129.1 | -15 | 113.2 | S666 I681 V682 N683 D688 | S666-R668 PolarHBondContact O-N 2.96Å; R668-I681 CarbonylContact O-C 3.53Å; R668-I681 WeakPolarHBondContact O-CA 3.43Å; R668-V682 HydrophobicContact CB-CB 4.14Å; R668-V682 WeakPolarHBondContact CD-O 3.24Å; R668-V682 PolarHBondContact NH1-O 3.3Å; R668-V682 PolarHBondContact O-N 2.81Å; R668-N683 PolarHBondContact NH1-O 3.04Å; R668-D688 IonicContact NH1-OD2 2.7Å; R668-D688 IonicContact NH2-OD2 3.86Å |
| 669 | L | 78.1 | Confident | 68.7 | Low | 34 Ų | 34 | 73.6 Ų | 73.6 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.6 | -171.4 | -54.6 | -179.4 | 0 | 0 | 0 | 112.6 | L659 F663 S666 D667 L679 I680 I681 | L659-L669 HydrophobicContact CB-CD1 4.07Å; L659-L669 WeakPolarHBondContact O-CD1 3.43Å; F663-L669 HydrophobicContact CB-CD1 3.99Å; F663-L669 HydrophobicContact CD1-CD2 4.02Å; F663-L669 HydrophobicContact CD1-CG 4.46Å; F663-L669 HydrophobicContact CD2-CD1 3.73Å; F663-L669 HydrophobicContact CD2-CD2 4.02Å; F663-L669 HydrophobicContact CD2-CG 4.39Å; F663-L669 HydrophobicContact CE1-CD2 3.87Å; F663-L669 HydrophobicContact CE2-CD1 4.3Å; F663-L669 HydrophobicContact CE2-CD2 3.86Å; F663-L669 HydrophobicContact CG-CD1 3.84Å; F663-L669 HydrophobicContact CG-CD2 4.09Å; F663-L669 HydrophobicContact CG-CG 4.27Å; F663-L669 HydrophobicContact CZ-CD2 3.77Å; S666-L669 WeakPolarHBondContact O-CB 3.47Å; S666-L669 PolarHBondContact O-N 3.44Å; D667-L669 VanDerWaalsContact C-N 3.32Å; L669-L679 HydrophobicContact CD2-CD1 4.38Å; L669-I680 VanDerWaalsContact CA-O 3.31Å; L669-I680 WeakPolarHBondContact CA-O 3.31Å; L669-I681 HydrophobicContact CD2-CB 4.29Å; L669-I681 HydrophobicContact CD2-CG1 3.7Å; L669-I681 HydrophobicContact CD2-CG2 4.26Å |
| 670 | N | 72 | Confident | 69 | Low | 95 Ų | 95 | 75 Ų | 75 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.6 | 171.1 | -164.4 | -11.4 | 0 | 0 | 0 | 110.9 | I680 | N670-I680 HydrophobicContact CB-CB 4.21Å; N670-I680 HydrophobicContact CB-CD1 4.42Å; N670-I680 PolarHBondContact N-O 2.8Å; N670-I680 VanDerWaalsContact N-O 3.1Å; N670-I680 PolarHBondContact O-N 2.81Å |
| 671 | I | 70.3 | Confident | 69.4 | Low | 76 Ų | 76 | 67.5 Ų | 67.5 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.5 | -177.6 | -59 | 176.9 | 0 | 0 | 0 | 109.1 | L659 N676 S678 L679 | L659-I671 HydrophobicContact CD1-CD1 3.91Å; L659-I671 HydrophobicContact CD1-CG1 4.38Å; I671-N676 HydrophobicContact CG2-CB 4.26Å; I671-S678 VanDerWaalsContact CA-O 3.32Å; I671-S678 WeakPolarHBondContact CA-O 3.35Å; I671-S678 WeakPolarHBondContact CG2-O 3.38Å; I671-L679 HydrophobicContact CG1-CD1 4.47Å |
| 672 | T | 57.6 | Low | 69.8 | Low | 59 Ų | 59 | 65.6 Ų | 65.6 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | trans | -127.4 | 86.6 | -166.1 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | S678 I680 | T672-S678 PolarHBondContact N-O 3.05Å; T672-S678 WeakPolarHBondContact OG1-CB 3.32Å; T672-I680 HydrophobicContact CG2-CD1 3.95Å | ||
| 673 | S | 59.2 | Low | 70.3 | Confident | 57 Ų | 57 | 69 Ų | 69 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 170.6 | 170.3 | 156.9 | 46.7 | 0 | 0 | 0 | 0 | 110 | N675 N676 E677 | S673-N675 PolarHBondContact O-N 3.45Å; S673-N676 PolarHBondContact OG-N 2.77Å; S673-E677 PolarHBondContact OG-N 2.83Å |
| 674 | S | 59.4 | Low | 70.8 | Confident | 116 Ų | 116 | 69 Ų | 69 | 81% | 0.811 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.7 | 169.4 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 675 | N | 60.9 | Low | 71.4 | Confident | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 5.9 | -165.6 | -58.1 | 0.9 | 0 | 0 | 0 | 112.6 | S673 E677 | S673-N675 PolarHBondContact O-N 3.45Å; N675-E677 HydrophobicContact CB-CG 3.84Å; N675-E677 VanDerWaalsContact CB-OE1 3.31Å; N675-E677 WeakPolarHBondContact CB-OE1 3.45Å; N675-E677 PolarHBondContact ND2-OE1 3.09Å; N675-E677 PolarHBondContact O-N 3.13Å |
| 676 | N | 71.4 | Confident | 71.8 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | trans | 57.9 | 24.2 | -171.7 | -61.3 | -17.6 | 0 | 0 | 0 | 115.6 | I650 W652 I671 S673 S678 | I650-N676 HydrophobicContact CB-CB 4.22Å; I650-N676 WeakPolarHBondContact O-CB 3.29Å; I650-N676 PolarHBondContact O-ND2 2.92Å; I650-N676 VanDerWaalsContact O-ND2 3.07Å; W652-N676 PolarHBondContact NE1-O 2.84Å; I671-N676 HydrophobicContact CG2-CB 4.26Å; S673-N676 PolarHBondContact OG-N 2.77Å; N676-S678 PolarHBondContact O-N 3.26Å; N676-S678 VanDerWaalsContact O-N 3.1Å | ||
| 677 | E | 76.5 | Confident | 72.1 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | trans | -66.1 | -9.3 | -176.3 | -72.8 | 171.7 | -152.2 | 0 | 0 | 115.1 | A635 C636 I650 S673 N675 | A635-E677 CarbonylContact C-O 3.57Å; A635-E677 WeakPolarHBondContact CA-O 3.22Å; C636-E677 PolarHBondContact N-O 3.21Å; C636-E677 WeakPolarHBondContact O-CB 3.5Å; I650-E677 HydrophobicContact CD1-CG 3.78Å; S673-E677 PolarHBondContact OG-N 2.83Å; N675-E677 HydrophobicContact CB-CG 3.84Å; N675-E677 VanDerWaalsContact CB-OE1 3.31Å; N675-E677 WeakPolarHBondContact CB-OE1 3.45Å; N675-E677 PolarHBondContact ND2-OE1 3.09Å; N675-E677 PolarHBondContact O-N 3.13Å | ||
| 678 | S | 81 | Confident | 72.5 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.6 | -176.2 | -69.9 | 0 | 0 | 0 | 0 | 114.1 | L634 I671 T672 N676 | L634-S678 CarbonylContact O-C 3.44Å; L634-S678 WeakPolarHBondContact O-CA 3.39Å; I671-S678 VanDerWaalsContact CA-O 3.32Å; I671-S678 WeakPolarHBondContact CA-O 3.35Å; I671-S678 WeakPolarHBondContact CG2-O 3.38Å; T672-S678 PolarHBondContact N-O 3.05Å; T672-S678 WeakPolarHBondContact OG1-CB 3.32Å; N676-S678 PolarHBondContact O-N 3.26Å; N676-S678 VanDerWaalsContact O-N 3.1Å |
| 679 | L | 83.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.4 | 177.8 | 163.2 | 62 | 0 | 0 | 0 | 110.7 | Q633 L634 W652 L659 L669 I671 I681 | Q633-L679 CarbonylContact C-O 3.6Å; L634-L679 WeakPolarHBondContact CA-O 3.43Å; L634-L679 HydrophobicContact CB-CB 4.3Å; L634-L679 WeakPolarHBondContact CB-O 3.5Å; L634-L679 HydrophobicContact CD1-CD2 4.09Å; L634-L679 PolarHBondContact N-O 3.5Å; L634-L679 PolarHBondContact O-N 2.82Å; W652-L679 HydrophobicContact CB-CD2 4.12Å; W652-L679 HydrophobicContact CD2-CB 3.67Å; W652-L679 HydrophobicContact CD2-CD2 3.79Å; W652-L679 HydrophobicContact CD2-CG 4.39Å; W652-L679 HydrophobicContact CE3-CB 3.98Å; W652-L679 HydrophobicContact CE3-CD2 3.51Å; W652-L679 HydrophobicContact CE3-CG 4.4Å; W652-L679 HydrophobicContact CG-CB 4.05Å; W652-L679 HydrophobicContact CG-CD2 4.08Å; W652-L679 HydrophobicContact CH2-CB 4.35Å; W652-L679 HydrophobicContact CZ2-CB 4.08Å; W652-L679 HydrophobicContact CZ3-CB 4.29Å; W652-L679 HydrophobicContact CZ3-CD2 4.15Å; L659-L679 HydrophobicContact CD1-CD1 3.49Å; L659-L679 VanDerWaalsContact CD1-CD1 3.49Å; L659-L679 HydrophobicContact CD1-CD2 3.95Å; L659-L679 HydrophobicContact CD1-CG 4.27Å; L659-L679 HydrophobicContact CD2-CD1 4.19Å; L659-L679 HydrophobicContact CD2-CD2 3.68Å; L659-L679 HydrophobicContact CG-CD1 4.49Å; L659-L679 HydrophobicContact CG-CD2 4.42Å; L669-L679 HydrophobicContact CD2-CD1 4.38Å; I671-L679 HydrophobicContact CG1-CD1 4.47Å; L679-I681 HydrophobicContact CD1-CG1 4.14Å; L679-I681 HydrophobicContact CD2-CD1 3.97Å; L679-I681 HydrophobicContact CD2-CG1 4.33Å; L679-I681 HydrophobicContact CG-CD1 4.09Å; L679-I681 HydrophobicContact CG-CG1 4.05Å |
| 680 | I | 82.7 | Confident | 72.2 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.1 | 176.3 | -56.4 | 170.9 | 0 | 0 | 0 | 108.9 | Q633 L669 N670 T672 | Q633-I680 HydrophobicContact CB-CG1 4.16Å; Q633-I680 HydrophobicContact CG-CG1 3.95Å; L669-I680 VanDerWaalsContact CA-O 3.31Å; L669-I680 WeakPolarHBondContact CA-O 3.31Å; N670-I680 HydrophobicContact CB-CB 4.21Å; N670-I680 HydrophobicContact CB-CD1 4.42Å; N670-I680 PolarHBondContact N-O 2.8Å; N670-I680 VanDerWaalsContact N-O 3.1Å; N670-I680 PolarHBondContact O-N 2.81Å; T672-I680 HydrophobicContact CG2-CD1 3.95Å |
| 681 | I | 80.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.4 | 178.5 | -57.8 | 144.7 | 0 | 0 | 0 | 110.3 | I632 L634 F663 R668 L669 L679 Y692 | I632-I681 HydrophobicContact CD1-CB 4.34Å; I632-I681 HydrophobicContact CD1-CD1 3.82Å; I632-I681 HydrophobicContact CG1-CB 3.86Å; I632-I681 HydrophobicContact CG1-CD1 4.15Å; I632-I681 PolarHBondContact N-O 3.22Å; I632-I681 PolarHBondContact O-N 2.98Å; L634-I681 HydrophobicContact CD1-CD1 3.56Å; L634-I681 HydrophobicContact CG-CD1 4.38Å; F663-I681 HydrophobicContact CE1-CG2 3.84Å; F663-I681 HydrophobicContact CZ-CD1 4.45Å; F663-I681 HydrophobicContact CZ-CG1 4.18Å; F663-I681 HydrophobicContact CZ-CG2 3.91Å; R668-I681 CarbonylContact O-C 3.53Å; R668-I681 WeakPolarHBondContact O-CA 3.43Å; L669-I681 HydrophobicContact CD2-CB 4.29Å; L669-I681 HydrophobicContact CD2-CG1 3.7Å; L669-I681 HydrophobicContact CD2-CG2 4.26Å; L679-I681 HydrophobicContact CD1-CG1 4.14Å; L679-I681 HydrophobicContact CD2-CD1 3.97Å; L679-I681 HydrophobicContact CD2-CG1 4.33Å; L679-I681 HydrophobicContact CG-CD1 4.09Å; L679-I681 HydrophobicContact CG-CG1 4.05Å; I681-Y692 HydrophobicContact CD1-CD1 3.73Å; I681-Y692 HydrophobicContact CD1-CE1 3.26Å; I681-Y692 HydrophobicContact CG1-CE1 4.35Å |
| 682 | V | 78.6 | Confident | 73.2 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | trans | -101.3 | 134.6 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | N631 R668 | N631-V682 WeakPolarHBondContact OD1-CG1 3.1Å; R668-V682 HydrophobicContact CB-CB 4.14Å; R668-V682 WeakPolarHBondContact CD-O 3.24Å; R668-V682 PolarHBondContact NH1-O 3.3Å; R668-V682 PolarHBondContact O-N 2.81Å | ||
| 683 | N | 76.8 | Confident | 74.5 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 58.5 | 76.7 | 168.3 | -166.9 | 49 | 0 | 0 | 0 | 117.5 | S630 N631 R668 | S630-N683 PolarHBondContact O-N 2.94Å; N631-N683 PolarHBondContact OD1-N 2.98Å; R668-N683 PolarHBondContact NH1-O 3.04Å |
| 684 | L | 76.4 | Confident | 75.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -60.4 | 153 | 177.2 | -71.6 | 167 | 0 | 0 | 0 | 115.3 | L626 G629 S630 I632 D688 Y692 | L626-L684 HydrophobicContact CD1-CD1 4.05Å; L626-L684 HydrophobicContact CD2-CD1 4.28Å; G629-L684 WeakPolarHBondContact CA-O 3.27Å; G629-L684 PolarHBondContact N-O 3.1Å; S630-L684 WeakPolarHBondContact O-CB 3.47Å; S630-L684 VanDerWaalsContact O-CG 3.28Å; S630-L684 WeakPolarHBondContact O-CG 3.35Å; S630-L684 PolarHBondContact O-N 3.46Å; I632-L684 HydrophobicContact CD1-CD1 4.27Å; I632-L684 HydrophobicContact CD1-CD2 4.25Å; I632-L684 HydrophobicContact CG2-CD1 4.25Å; L684-D688 VanDerWaalsContact CA-OD2 3.29Å; L684-D688 WeakPolarHBondContact CA-OD2 3.21Å; L684-D688 HydrophobicContact CB-CB 4.39Å; L684-D688 HydrophobicContact CD2-CB 3.56Å; L684-Y692 HydrophobicContact CD2-CE2 4.34Å | ||
| 685 | L | 73.2 | Confident | 77.2 | Confident | 68 Ų | 68 | 39.1 Ų | 39.1 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | trans | -124 | 171.6 | 177.5 | -59.4 | 172.6 | 0 | 0 | 0 | 112.9 | S687 D688 T689 | L685-S687 WeakPolarHBondContact CB-OG 3.15Å; L685-S687 WeakPolarHBondContact CD1-OG 3.2Å; L685-S687 PolarHBondContact O-N 3.05Å; L685-D688 HydrophobicContact CB-CB 4.37Å; L685-D688 PolarHBondContact N-OD2 2.87Å; L685-D688 CarbonylContact O-C 3.57Å; L685-D688 WeakPolarHBondContact O-CA 3.2Å; L685-D688 WeakPolarHBondContact O-CB 3.41Å; L685-D688 PolarHBondContact O-N 2.92Å; L685-T689 PolarHBondContact O-N 3.19Å | ||
| 686 | S | 65.1 | Low | 78.3 | Confident | 66 Ų | 66 | 35.2 Ų | 35.2 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -69.2 | -17.6 | 163.4 | 56.3 | 0 | 0 | 0 | 0 | 113 | E628 D688 T689 | E628-S686 VanDerWaalsContact CD-CB 3.48Å; E628-S686 WeakPolarHBondContact OE1-CB 3.33Å; E628-S686 PolarHBondContact OE1-N 2.87Å; E628-S686 PolarHBondContact OE1-OG 2.99Å; S686-D688 VanDerWaalsContact C-N 3.32Å; S686-T689 WeakPolarHBondContact O-CB 3.23Å; S686-T689 PolarHBondContact O-N 2.87Å; S686-T689 PolarHBondContact O-OG1 2.95Å |
| 687 | S | 67.4 | Low | 78.8 | Confident | 75 Ų | 75 | 33.5 Ų | 33.5 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -87.2 | 2.2 | 163.5 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | K654 L685 | K654-S687 WeakPolarHBondContact CE-O 3.34Å; K654-S687 PolarHBondContact NZ-O 2.89Å; L685-S687 WeakPolarHBondContact CB-OG 3.15Å; L685-S687 WeakPolarHBondContact CD1-OG 3.2Å; L685-S687 PolarHBondContact O-N 3.05Å |
| 688 | D | 76.1 | Confident | 79 | Confident | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -101.2 | 7 | 157.2 | -59.7 | -44.2 | 0 | 0 | 0 | 111 | K654 R668 L684 L685 S686 G690 | K654-D688 IonicContact NZ-OD1 2.88Å; K654-D688 PolarHBondContact NZ-OD1 2.82Å; R668-D688 IonicContact NH1-OD2 2.7Å; R668-D688 IonicContact NH2-OD2 3.86Å; L684-D688 VanDerWaalsContact CA-OD2 3.29Å; L684-D688 WeakPolarHBondContact CA-OD2 3.21Å; L684-D688 HydrophobicContact CB-CB 4.39Å; L684-D688 HydrophobicContact CD2-CB 3.56Å; L685-D688 HydrophobicContact CB-CB 4.37Å; L685-D688 PolarHBondContact N-OD2 2.87Å; L685-D688 CarbonylContact O-C 3.57Å; L685-D688 WeakPolarHBondContact O-CA 3.2Å; L685-D688 WeakPolarHBondContact O-CB 3.41Å; L685-D688 PolarHBondContact O-N 2.92Å; S686-D688 VanDerWaalsContact C-N 3.32Å; D688-G690 PolarHBondContact O-N 2.87Å; D688-G690 VanDerWaalsContact O-N 3.13Å |
| 689 | T | 73.5 | Confident | 78.6 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | trans | -62.2 | 108.6 | 156.2 | -57.8 | 0 | 0 | 0 | 0 | 106.5 | L685 S686 L709 | L685-T689 PolarHBondContact O-N 3.19Å; S686-T689 WeakPolarHBondContact O-CB 3.23Å; S686-T689 PolarHBondContact O-N 2.87Å; S686-T689 PolarHBondContact O-OG1 2.95Å; T689-L709 HydrophobicContact CG2-CB 3.86Å; T689-L709 HydrophobicContact CG2-CD1 4.19Å; T689-L709 HydrophobicContact CG2-CD2 3.92Å; T689-L709 HydrophobicContact CG2-CG 4.19Å | ||
| 690 | G | 74.4 | Confident | 78 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 174.3 | 175.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D655 D688 Y692 | D655-G690 WeakPolarHBondContact OD1-CA 3.48Å; D655-G690 WeakPolarHBondContact OD2-CA 3.04Å; D688-G690 PolarHBondContact O-N 2.87Å; D688-G690 VanDerWaalsContact O-N 3.13Å; G690-Y692 PolarHBondContact O-N 2.81Å |
| 691 | I | 80.6 | Confident | 77.6 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | trans | -102.7 | 84.3 | -166.8 | -56.8 | -176.6 | 0 | 0 | 0 | 108.1 | D655 M693 S706 H708 | D655-I691 PolarHBondContact N-O 3.18Å; D655-I691 PolarHBondContact OD1-N 3.33Å; I691-M693 PolarHBondContact O-N 3Å; I691-S706 VanDerWaalsContact CG2-CB 3.48Å; I691-H708 HydrophobicContact CG1-CB 4.2Å | ||
| 692 | Y | 83.4 | Confident | 77.7 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.3 | 169.9 | -73.5 | -86 | 0 | 0 | 0 | 110.1 | L634 K654 F663 I681 L684 G690 S706 | L634-Y692 HydrophobicContact CD1-CD1 3.9Å; L634-Y692 HydrophobicContact CD1-CG 4.07Å; K654-Y692 HydrophobicContact CB-CD1 3.99Å; K654-Y692 HydrophobicContact CB-CE1 3.85Å; K654-Y692 HydrophobicContact CD-CE1 4.04Å; K654-Y692 HydrophobicContact CG-CD1 4.47Å; K654-Y692 HydrophobicContact CG-CE1 4.06Å; F663-Y692 HydrophobicContact CE2-CE1 4.07Å; F663-Y692 AromaticContact CZ-CE1 3.79Å; F663-Y692 HydrophobicContact CZ-CE1 3.79Å; F663-Y692 VanDerWaalsContact CZ-OH 3.32Å; F663-Y692 WeakPolarHBondContact CZ-OH 3.31Å; I681-Y692 HydrophobicContact CD1-CD1 3.73Å; I681-Y692 HydrophobicContact CD1-CE1 3.26Å; I681-Y692 HydrophobicContact CG1-CE1 4.35Å; L684-Y692 HydrophobicContact CD2-CE2 4.34Å; G690-Y692 PolarHBondContact O-N 2.81Å; Y692-S706 WeakPolarHBondContact O-CA 3.47Å; Y692-S706 VanDerWaalsContact O-CB 3.23Å; Y692-S706 WeakPolarHBondContact O-CB 3.47Å |
| 693 | M | 83.3 | Confident | 77.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 122.9 | -168.4 | 178.9 | 170.4 | 55.1 | 0 | 0 | 111.3 | K653 N656 I691 I695 N704 S705 | K653-M693 HydrophobicContact CB-CB 4.32Å; K653-M693 HydrophobicContact CB-CE 3.9Å; K653-M693 HydrophobicContact CD-CE 3.97Å; K653-M693 HydrophobicContact CG-CE 4.36Å; K653-M693 PolarHBondContact N-O 3.39Å; K653-M693 PolarHBondContact O-N 2.69Å; N656-M693 WeakPolarHBondContact OD1-CE 3.27Å; I691-M693 PolarHBondContact O-N 3Å; M693-I695 HydrophobicContact CE-CD1 4.08Å; M693-I695 HydrophobicContact CE-CG1 4.24Å; M693-I695 HydrophobicContact CG-CG1 4.01Å; M693-I695 HydrophobicContact SD-CG1 4.25Å; M693-N704 HydrophobicContact CG-CB 3.79Å; M693-N704 HydrophobicContact SD-CB 3.61Å; M693-S705 VanDerWaalsContact CA-O 3.27Å; M693-S705 WeakPolarHBondContact CA-O 3.38Å |
| 694 | C | 88 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.9 | 159.5 | 60 | 0 | 0 | 0 | 0 | 108.9 | P594 C636 W652 N704 S705 | P594-C694 HydrophobicContact CG-CB 4.34Å; C636-C694 HydrophobicContact CB-CB 3.57Å; C636-C694 WeakPolarHBondContact CB-SG 3.48Å; C636-C694 WeakPolarHBondContact SG-CB 3.21Å; C636-C694 CovalentContact SG-SG 2.05Å; C636-C694 PolarHBondContact SG-SG 3.47Å; W652-C694 HydrophobicContact CD2-CB 4.07Å; W652-C694 HydrophobicContact CE3-CB 3.96Å; W652-C694 HydrophobicContact CH2-CB 3.89Å; W652-C694 HydrophobicContact CZ2-CB 3.98Å; W652-C694 HydrophobicContact CZ3-CB 3.88Å; C694-N704 CarbonylContact O-C 3.51Å; C694-N704 VanDerWaalsContact O-CA 3.23Å; C694-N704 WeakPolarHBondContact O-CA 3.35Å; C694-S705 PolarHBondContact N-O 2.91Å; C694-S705 PolarHBondContact O-N 2.79Å; C694-S705 VanDerWaalsContact O-N 3.08Å |
| 695 | I | 87.7 | Confident | 78.3 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.5 | 176 | -52.5 | 174.1 | 0 | 0 | 0 | 106.7 | I650 V651 K653 M693 N704 | I650-I695 WeakPolarHBondContact CA-O 3.18Å; V651-I695 PolarHBondContact N-O 2.79Å; V651-I695 PolarHBondContact O-N 2.89Å; K653-I695 HydrophobicContact CD-CD1 3.9Å; K653-I695 HydrophobicContact CG-CD1 3.95Å; M693-I695 HydrophobicContact CE-CD1 4.08Å; M693-I695 HydrophobicContact CE-CG1 4.24Å; M693-I695 HydrophobicContact CG-CG1 4.01Å; M693-I695 HydrophobicContact SD-CG1 4.25Å; I695-N704 HydrophobicContact CG1-CB 4.17Å |
| 696 | A | 85.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I590 V638 L648 T649 N702 V703 | I590-A696 HydrophobicContact CD1-CB 4.46Å; I590-A696 HydrophobicContact CG1-CB 4.24Å; V638-A696 HydrophobicContact CB-CB 4.27Å; V638-A696 HydrophobicContact CG1-CB 3.64Å; V638-A696 HydrophobicContact CG2-CB 3.57Å; L648-A696 HydrophobicContact CD1-CB 4.11Å; T649-A696 VanDerWaalsContact O-CA 3.31Å; T649-A696 WeakPolarHBondContact O-CA 3.23Å; A696-N702 WeakPolarHBondContact O-CA 3.13Å; A696-V703 HydrophobicContact CB-CG2 4.33Å; A696-V703 PolarHBondContact N-O 3.14Å; A696-V703 PolarHBondContact O-N 2.88Å; A696-V703 VanDerWaalsContact O-O 3.13Å |
| 697 | S | 79.9 | Confident | 79 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.1 | -174.2 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | L648 T649 | L648-S697 WeakPolarHBondContact CA-O 3.36Å; T649-S697 PolarHBondContact N-O 2.91Å; T649-S697 PolarHBondContact O-N 2.9Å; T649-S697 PolarHBondContact OG1-OG 2.92Å |
| 698 | T | 81.1 | Confident | 79.1 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | trans | -137.8 | -173.4 | 169.4 | 75.8 | 0 | 0 | 0 | 0 | 109.4 | T588 T640 H644 L700 D701 | T588-T698 HydrophobicContact CG2-CG2 4.42Å; T640-T698 HydrophobicContact CG2-CG2 4.28Å; T640-T698 WeakPolarHBondContact OG1-CG2 3.48Å; H644-T698 HydrophobicContact CB-CG2 4.41Å; T698-L700 PolarHBondContact OG1-N 3.18Å; T698-D701 PolarHBondContact N-O 2.88Å; T698-D701 PolarHBondContact OG1-O 2.68Å; T698-D701 PolarHBondContact OG1-OD1 2.78Å | ||
| 699 | K | 72.6 | Confident | 78.9 | Confident | 161 Ų | 161 | 41.8 Ų | 41.8 | 70% | 0.7 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -79.9 | -11.5 | 173.6 | -67.7 | -178.7 | -168.1 | 160.4 | 0 | 115.3 | Q647 | Q647-K699 VanDerWaalsContact OE1-CE 3.25Š|
| 700 | L | 71.6 | Confident | 78.4 | Confident | 57 Ų | 57 | 41.4 Ų | 41.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -84.8 | -41.5 | 173.5 | -70.2 | 177.8 | 0 | 0 | 0 | 111.4 | D641 H644 T698 | D641-L700 HydrophobicContact CB-CD1 3.69Å; H644-L700 VanDerWaalsContact CE1-CG 3.47Å; H644-L700 WeakPolarHBondContact CE1-CG 3.43Å; H644-L700 WeakPolarHBondContact ND1-CD1 3.32Å; H644-L700 WeakPolarHBondContact ND1-CG 3.11Å; T698-L700 PolarHBondContact OG1-N 3.18Å |
| 701 | D | 73.5 | Confident | 77.3 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | trans | -162.1 | 161.5 | -170.1 | 54.8 | -0.3 | 0 | 0 | 0 | 111.9 | I505 Q587 T588 T698 | I505-D701 HydrophobicContact CD1-CB 4.09Å; Q587-D701 WeakPolarHBondContact CA-OD2 3.32Å; Q587-D701 WeakPolarHBondContact CG-OD2 3.3Å; T588-D701 WeakPolarHBondContact CB-OD1 3.49Å; T588-D701 PolarHBondContact N-OD1 3.46Å; T588-D701 PolarHBondContact N-OD2 3.43Å; T588-D701 PolarHBondContact OG1-OD1 2.75Å; T698-D701 PolarHBondContact N-O 2.88Å; T698-D701 PolarHBondContact OG1-O 2.68Å; T698-D701 PolarHBondContact OG1-OD1 2.78Å | ||
| 702 | N | 82.3 | Confident | 74.9 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 56% | 0.556 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 147.9 | 154.1 | 66.6 | 85.3 | 0 | 0 | 0 | 109 | A696 | A696-N702 WeakPolarHBondContact O-CA 3.13Å |
| 703 | V | 79.6 | Confident | 71.3 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.127 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.3 | 168 | -72.2 | 0 | 0 | 0 | 0 | 109.4 | T588 I590 A696 | T588-V703 HydrophobicContact CG2-CG2 3.6Å; T588-V703 VanDerWaalsContact O-CG1 3.27Å; T588-V703 WeakPolarHBondContact O-CG1 3.19Å; I590-V703 HydrophobicContact CD1-CG2 4.26Å; I590-V703 HydrophobicContact CG1-CG2 4.03Å; A696-V703 HydrophobicContact CB-CG2 4.33Å; A696-V703 PolarHBondContact N-O 3.14Å; A696-V703 PolarHBondContact O-N 2.88Å; A696-V703 VanDerWaalsContact O-O 3.13Å |
| 704 | N | 85.7 | Confident | 67.8 | Low | 89 Ų | 89 | 51.2 Ų | 51.2 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 167.9 | 176.9 | 66.2 | 37.4 | 0 | 0 | 0 | 111 | M693 C694 I695 | M693-N704 HydrophobicContact CG-CB 3.79Å; M693-N704 HydrophobicContact SD-CB 3.61Å; C694-N704 CarbonylContact O-C 3.51Å; C694-N704 VanDerWaalsContact O-CA 3.23Å; C694-N704 WeakPolarHBondContact O-CA 3.35Å; I695-N704 HydrophobicContact CG1-CB 4.17Å |
| 705 | S | 79.9 | Confident | 64.7 | Low | 40 Ų | 40 | 51.3 Ų | 51.3 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 141.5 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | G593 P594 M693 C694 | G593-S705 WeakPolarHBondContact O-CB 3.2Å; G593-S705 PolarHBondContact O-OG 3.5Å; P594-S705 VanDerWaalsContact CD-C 3.49Å; P594-S705 WeakPolarHBondContact CD-O 3.23Å; P594-S705 WeakPolarHBondContact CG-O 3.42Å; M693-S705 VanDerWaalsContact CA-O 3.27Å; M693-S705 WeakPolarHBondContact CA-O 3.38Å; C694-S705 PolarHBondContact N-O 2.91Å; C694-S705 PolarHBondContact O-N 2.79Å; C694-S705 VanDerWaalsContact O-N 3.08Å |
| 706 | S | 79.3 | Confident | 62 | Low | 56 Ų | 56 | 51.2 Ų | 51.2 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | trans | -157.6 | -176.8 | -165.2 | 68.6 | 0 | 0 | 0 | 0 | 119.4 | I691 Y692 | I691-S706 VanDerWaalsContact CG2-CB 3.48Å; Y692-S706 WeakPolarHBondContact O-CA 3.47Å; Y692-S706 VanDerWaalsContact O-CB 3.23Å; Y692-S706 WeakPolarHBondContact O-CB 3.47Å | ||
| 707 | T | 73.3 | Confident | 61.1 | Low | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | trans | -158.6 | 0 | -167.9 | 179.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 708 | H | 68.8 | Low | 60.5 | Low | 42 Ų | 42 | 53.1 Ų | 53.1 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | 0 | 0 | 0 | -155.7 | -108.1 | 0 | 0 | 0 | 126.3 | K624 I691 L1943 F1944 L1946 | K624-H708 WeakPolarHBondContact CG-O 3.42Å; I691-H708 HydrophobicContact CG1-CB 4.2Å; H708-L1943 HydrophobicContact CB-CD2 3.94Å; H708-L1943 WeakPolarHBondContact O-CD2 3.42Å; H708-F1944 VanDerWaalsContact O-CD1 3.3Å; H708-F1944 WeakPolarHBondContact O-CD1 3.23Å; H708-F1944 WeakPolarHBondContact O-CE1 3.31Å; H708-L1946 PolarHBondContact CE1-O 2.84Å | |||
| 709 | L | 72.3 | Confident | 59.7 | Low | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | 0 | 0 | 0 | -91.7 | 86 | 0 | 0 | 0 | 137.2 | K624 Y625 T689 F1944 L1945 | K624-L709 WeakPolarHBondContact O-CD1 3.37Å; Y625-L709 WeakPolarHBondContact CD1-O 3.27Å; Y625-L709 WeakPolarHBondContact CE1-O 3.48Å; T689-L709 HydrophobicContact CG2-CB 3.86Å; T689-L709 HydrophobicContact CG2-CD1 4.19Å; T689-L709 HydrophobicContact CG2-CD2 3.92Å; T689-L709 HydrophobicContact CG2-CG 4.19Å; L709-F1944 CarbonylContact C-O 3.56Å; L709-F1944 PolarHBondContact N-O 3.03Å; L709-F1944 WeakPolarHBondContact O-CD1 3.2Å; L709-L1945 VanDerWaalsContact C-C 3.46Å; L709-L1945 VanDerWaalsContact C-CB 3.42Å; L709-L1945 CarbonylContact C-O 3.49Å; L709-L1945 VanDerWaalsContact O-CB 3.27Å; L709-L1945 WeakPolarHBondContact O-CB 3.2Å | |||
| 710 | I | 63.6 | Low | 59.4 | Low | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | 0 | 0 | 0 | -8.9 | 80.8 | 0 | 0 | 0 | 134.7 | Y625 L1689 L1945 L1946 | Y625-I710 HydrophobicContact CE1-CG2 4.46Å; I710-L1689 HydrophobicContact CB-CD2 4.3Å; I710-L1689 HydrophobicContact CG1-CD1 4.45Å; I710-L1689 HydrophobicContact CG1-CD2 3.47Å; I710-L1689 VanDerWaalsContact CG1-CD2 3.47Å; I710-L1689 HydrophobicContact CG1-CG 3.98Å; I710-L1689 HydrophobicContact CG2-CD2 3.76Å; I710-L1689 HydrophobicContact CG2-CG 4.1Å; I710-L1945 VanDerWaalsContact C-CA 3.49Å; I710-L1945 VanDerWaalsContact CA-CA 3.47Å; I710-L1945 HydrophobicContact CB-CB 4.49Å; I710-L1945 HydrophobicContact CB-CD2 4.1Å; I710-L1945 HydrophobicContact CG2-CD2 3.57Å; I710-L1945 VanDerWaalsContact N-CA 3.31Å; I710-L1945 PolarHBondContact N-O 3.3Å; I710-L1946 VanDerWaalsContact C-CB 3.41Å; I710-L1946 VanDerWaalsContact CA-CB 3.45Å; I710-L1946 HydrophobicContact CB-CB 3.71Å; I710-L1946 HydrophobicContact CB-CD1 3.84Å; I710-L1946 HydrophobicContact CB-CG 4.29Å; I710-L1946 HydrophobicContact CD1-CB 3.55Å; I710-L1946 HydrophobicContact CD1-CD1 3.81Å; I710-L1946 HydrophobicContact CD1-CG 4.25Å; I710-L1946 HydrophobicContact CG1-CB 4.2Å; I710-L1946 HydrophobicContact CG1-CD1 4.33Å; I710-L1946 VanDerWaalsContact O-CB 3.26Å; I710-L1946 WeakPolarHBondContact O-CB 3.39Å; I710-L1946 VanDerWaalsContact O-CD1 3.27Å; I710-L1946 WeakPolarHBondContact O-CD1 3.21Å; I710-L1946 VanDerWaalsContact O-CG 3.26Å; I710-L1946 WeakPolarHBondContact O-CG 3.08Å | |||
| 711 | V | 51.9 | Low | 59.5 | Low | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | 0 | 0 | 0 | 81.3 | 0 | 0 | 0 | 0 | 128.9 | Q1605 L1945 L1946 | V711-Q1605 HydrophobicContact CG1-CB 3.7Å; V711-Q1605 HydrophobicContact CG1-CG 4.18Å; V711-Q1605 VanDerWaalsContact CG1-OE1 3.3Å; V711-Q1605 PolarHBondContact O-OE1 2.98Å; V711-L1945 VanDerWaalsContact N-CB 3.29Å; V711-L1945 VanDerWaalsContact N-CG 3.27Å; V711-L1946 HydrophobicContact CB-CG 4.41Å | |||
| 712 | Q | 29.5 | Very low | 59.3 | Low | 123 Ų | 123 | 51.1 Ų | 51.1 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | 0 | 0 | 0 | -109 | 152.2 | 107.1 | 0 | 0 | 128.9 | F1606 | Q712-F1606 HydrophobicContact CB-CD2 4.17Å; Q712-F1606 HydrophobicContact CB-CE1 3.94Å; Q712-F1606 HydrophobicContact CB-CE2 3.14Å; Q712-F1606 HydrophobicContact CB-CZ 2.98Å; Q712-F1606 HydrophobicContact CG-CE2 3.24Å; Q712-F1606 HydrophobicContact CG-CZ 3.45Å; Q712-F1606 VanDerWaalsContact CG-CZ 3.45Å; Q712-F1606 WeakPolarHBondContact O-CD1 2.87Å; Q712-F1606 WeakPolarHBondContact O-CD2 3.48Å; Q712-F1606 WeakPolarHBondContact O-CE1 3.49Å; Q712-F1606 WeakPolarHBondContact O-CG 2.96Å; Q712-F1606 WeakPolarHBondContact O-CZ 3.41Å | |||
| 713 | G | 8.4 | Very low | 59 | Low | 51 Ų | 51 | 46.3 Ų | 46.3 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 133.1 | |||||
| 714 | R | 9.8 | Very low | 58.4 | Low | 84 Ų | 84 | 48 Ų | 48 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | 0 | 0 | 0 | -139.8 | -103.6 | 161.2 | -175.3 | 8.6 | 128.8 | Y746 S747 N894 I896 G897 | R714-Y746 WeakPolarHBondContact O-CB 3.49Å; R714-S747 WeakPolarHBondContact O-CB 3.34Å; R714-S747 PolarHBondContact O-N 2.93Å; R714-S747 PolarHBondContact O-OG 3.07Å; R714-S747 VanDerWaalsContact O-OG 3.09Å; R714-N894 PolarHBondContact NE-OD1 2.68Å; R714-N894 PolarHBondContact NH2-OD1 3.1Å; R714-I896 HydrophobicContact CG-CD1 3.78Å; R714-G897 PolarHBondContact NH2-O 3.39Å | |||
| 715 | P | 22.8 | Very low | 57.5 | Low | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | 0 | 0 | 0 | 7.5 | 19.5 | 0 | 0 | 0 | 131.8 | Y746 S747 P748 N894 | P715-Y746 VanDerWaalsContact CA-CB 3.49Å; P715-S747 WeakPolarHBondContact CA-O 3.46Å; P715-S747 WeakPolarHBondContact CG-OG 3.45Å; P715-P748 WeakPolarHBondContact CB-O 3.1Å; P715-N894 WeakPolarHBondContact CD-OD1 3.39Å; P715-N894 HydrophobicContact CG-CB 3.97Å | |||
| 716 | K | 30.6 | Very low | 56.6 | Low | 30 Ų | 30 | 42.4 Ų | 42.4 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | 0 | 0 | 0 | -138.5 | -134.9 | 180 | 166.9 | 0 | 126.3 | D742 E743 T744 Y746 I749 | K716-D742 VanDerWaalsContact CD-O 3.3Å; K716-D742 WeakPolarHBondContact CD-O 3.42Å; K716-D742 PolarHBondContact NZ-O 3.45Å; K716-D742 IonicContact NZ-OD1 3.82Å; K716-D742 PolarHBondContact NZ-OD1 3.13Å; K716-D742 IonicContact NZ-OD2 3.39Å; K716-D742 PolarHBondContact NZ-OD2 2.8Å; K716-E743 VanDerWaalsContact NZ-N 3.13Å; K716-T744 PolarHBondContact NZ-OG1 2.91Å; K716-Y746 HydrophobicContact CB-CD2 3.6Å; K716-Y746 HydrophobicContact CB-CE2 4.01Å; K716-Y746 HydrophobicContact CB-CG 4.46Å; K716-Y746 HydrophobicContact CG-CD2 3.42Å; K716-Y746 VanDerWaalsContact CG-CD2 3.42Å; K716-Y746 HydrophobicContact CG-CE2 3.46Å; K716-Y746 VanDerWaalsContact CG-CE2 3.46Å; K716-I749 HydrophobicContact CB-CD1 3.87Å; K716-I749 HydrophobicContact CB-CG1 3.69Å; K716-I749 HydrophobicContact CD-CD1 4.38Å; K716-I749 WeakPolarHBondContact O-CG2 3.11Å | |||
| 717 | P | 66.4 | Low | 55.4 | Low | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | 0 | 0 | 0 | 49.9 | -39.7 | 0 | 0 | 0 | 129.5 | S899 | P717-S899 VanDerWaalsContact CB-CB 3.45Š| |||
| 718 | P | 67.7 | Low | 54.1 | Low | 26 Ų | 26 | 46 Ų | 46 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 53.2 | -38.1 | 0 | 0 | 0 | 126.8 | E891 L892 L900 | P718-E891 VanDerWaalsContact CG-C 3.42Å; P718-L892 HydrophobicContact CB-CD1 4Å; P718-L892 HydrophobicContact CB-CD2 3.89Å; P718-L892 HydrophobicContact CB-CG 3.61Å; P718-L892 HydrophobicContact CG-CB 4.23Å; P718-L892 HydrophobicContact CG-CD1 4.33Å; P718-L892 HydrophobicContact CG-CD2 4.09Å; P718-L892 HydrophobicContact CG-CG 3.54Å; P718-L900 WeakPolarHBondContact CD-O 3.45Å; P718-L900 WeakPolarHBondContact CG-O 3.01Å | |
| 719 | K | 63.7 | Low | 53.2 | Low | 113 Ų | 113 | 44.4 Ų | 44.4 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -173.7 | -110.4 | -65.3 | 169.4 | 0 | 120.9 | W739 E740 | K719-W739 WeakPolarHBondContact O-CB 3.38Å; K719-E740 WeakPolarHBondContact CE-OE2 3.29Å; K719-E740 PolarHBondContact N-O 2.83Å; K719-E740 IonicContact NZ-OE1 2.75Å; K719-E740 IonicContact NZ-OE2 2.69Å; K719-E740 PolarHBondContact NZ-OE2 3.01Å; K719-E740 CarbonylContact O-C 3.59Å; K719-E740 WeakPolarHBondContact O-CA 3.27Å; K719-E740 WeakPolarHBondContact O-CB 3.23Å; K719-E740 PolarHBondContact O-N 3.29Å | |
| 720 | S | 66.1 | Low | 51.8 | Low | 23 Ų | 23 | 49.8 Ų | 49.8 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | 0 | 0 | 0 | -79.7 | 0 | 0 | 0 | 0 | 128.4 | T738 W739 E740 S902 | S720-T738 CarbonylContact C-O 3.58Å; S720-W739 WeakPolarHBondContact O-CB 3.28Å; S720-E740 VanDerWaalsContact CB-OE2 3.28Å; S720-E740 WeakPolarHBondContact CB-OE2 3.21Å; S720-E740 PolarHBondContact OG-OE2 2.62Å; S720-S902 PolarHBondContact O-OG 3.25Å | |||
| 721 | V | 73.8 | Confident | 51 | Low | 17 Ų | 17 | 53.7 Ų | 53.7 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | 0 | 0 | 0 | -126.4 | 0 | 0 | 0 | 0 | 126.4 | L737 T738 D903 I905 | V721-L737 HydrophobicContact CG1-CB 4.4Å; V721-L737 HydrophobicContact CG1-CD2 3.88Å; V721-T738 CarbonylContact C-O 3.27Å; V721-T738 WeakPolarHBondContact CA-O 3.32Å; V721-T738 PolarHBondContact N-O 2.74Å; V721-T738 VanDerWaalsContact N-O 3.1Å; V721-D903 HydrophobicContact CG2-CB 3.88Å; V721-D903 WeakPolarHBondContact CG2-O 3.38Å; V721-I905 HydrophobicContact CB-CB 3.82Å; V721-I905 HydrophobicContact CB-CD1 4.01Å; V721-I905 HydrophobicContact CB-CG1 4.47Å; V721-I905 HydrophobicContact CB-CG2 3.97Å; V721-I905 HydrophobicContact CG1-CB 3.81Å; V721-I905 HydrophobicContact CG1-CG2 3.65Å; V721-I905 WeakPolarHBondContact O-CD1 3.42Å | |||
| 722 | K | 69.9 | Low | 51.1 | Low | 66 Ų | 66 | 60 Ų | 60 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | 0 | 163.2 | 0 | -71.4 | -156.8 | 171.5 | 174.1 | 0 | 119 | M320 M324 N325 K338 L737 T738 I905 | M320-K722 HydrophobicContact CE-CB 4.31Å; M320-K722 WeakPolarHBondContact SD-CA 3.31Å; M320-K722 HydrophobicContact SD-CB 3.48Å; M320-K722 WeakPolarHBondContact SD-CB 3.16Å; M320-K722 HydrophobicContact SD-CD 3.96Å; M320-K722 HydrophobicContact SD-CG 3.53Å; M320-K722 VanDerWaalsContact SD-CG 3.53Å; M324-K722 WeakPolarHBondContact O-CE 3.18Å; M324-K722 PolarHBondContact O-NZ 3.31Å; N325-K722 PolarHBondContact O-NZ 3.29Å; K338-K722 VanDerWaalsContact CE-C 3.42Å; K338-K722 WeakPolarHBondContact CE-O 3.05Å; K338-K722 PolarHBondContact NZ-O 3.2Å; K722-L737 WeakPolarHBondContact O-CB 3.41Å; K722-T738 WeakPolarHBondContact CB-OG1 3.38Å; K722-T738 PolarHBondContact N-OG1 3.17Å; K722-I905 VanDerWaalsContact CA-CG2 3.43Å; K722-I905 WeakPolarHBondContact O-CG2 3.38Å | |||
| 723 | L | 75.7 | Confident | 52.3 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -152.4 | 167.9 | 179 | -119.5 | 108.3 | 0 | 0 | 0 | 123.1 | F318 M320 K338 L340 I735 L737 F888 I905 | F318-L723 HydrophobicContact CB-CB 4.2Å; F318-L723 HydrophobicContact CB-CD2 3.52Å; F318-L723 HydrophobicContact CB-CG 4.42Å; F318-L723 HydrophobicContact CD1-CB 3.29Å; F318-L723 HydrophobicContact CD1-CD2 4.31Å; F318-L723 HydrophobicContact CD1-CG 4.3Å; F318-L723 HydrophobicContact CE1-CB 4.07Å; F318-L723 HydrophobicContact CG-CB 4.03Å; F318-L723 HydrophobicContact CG-CD2 4.09Å; F318-L723 CarbonylContact O-C 3.58Å; F318-L723 VanDerWaalsContact O-C 3.23Å; M320-L723 HydrophobicContact CE-CB 4.2Å; M320-L723 WeakPolarHBondContact CG-O 3.36Å; M320-L723 PolarHBondContact SD-N 3.07Å; K338-L723 HydrophobicContact CB-CD2 4.12Å; K338-L723 HydrophobicContact CB-CG 3.76Å; K338-L723 VanDerWaalsContact NZ-CA 3.34Å; K338-L723 WeakPolarHBondContact O-CD2 3.35Å; L340-L723 HydrophobicContact CD2-CD2 3.36Å; L340-L723 HydrophobicContact CG-CD2 4.28Å; L723-I735 HydrophobicContact CD1-CD1 4.37Å; L723-I735 HydrophobicContact CD1-CG2 4.02Å; L723-I735 HydrophobicContact CD2-CG2 3.76Å; L723-I735 HydrophobicContact CG-CG2 4.08Å; L723-L737 HydrophobicContact CD1-CB 4.3Å; L723-L737 HydrophobicContact CD1-CD2 3.71Å; L723-L737 HydrophobicContact CD1-CG 4.09Å; L723-F888 HydrophobicContact CD1-CD2 3.44Å; L723-F888 VanDerWaalsContact CD1-CD2 3.44Å; L723-F888 HydrophobicContact CD1-CE2 3.44Å; L723-F888 VanDerWaalsContact CD1-CE2 3.44Å; L723-F888 HydrophobicContact CD2-CE2 4.08Å; L723-F888 HydrophobicContact CG-CE2 4.44Å; L723-I905 HydrophobicContact CB-CG2 3.97Å; L723-I905 HydrophobicContact CD1-CG2 4.07Å | ||
| 724 | L | 68.2 | Low | 55.1 | Low | 56 Ų | 56 | 52.3 Ų | 52.3 | 29% | 0.293 | 25% | 0.25 | S | S | . | . | trans | -164.2 | -162.9 | -174.2 | -79 | 104.6 | 0 | 0 | 0 | 108.7 | F318 V337 K338 L865 | F318-L724 CarbonylContact O-C 3.44Å; F318-L724 VanDerWaalsContact O-CA 3.28Å; F318-L724 WeakPolarHBondContact O-CA 3.35Å; F318-L724 PolarHBondContact O-N 3.27Å; V337-L724 HydrophobicContact CG1-CB 4.2Å; V337-L724 HydrophobicContact CG1-CD2 4.05Å; K338-L724 CarbonylContact C-O 3.19Å; K338-L724 VanDerWaalsContact C-O 3.28Å; K338-L724 HydrophobicContact CB-CB 3.94Å; K338-L724 HydrophobicContact CD-CB 3.86Å; K338-L724 HydrophobicContact CD-CD1 3.29Å; K338-L724 HydrophobicContact CD-CG 4.14Å; K338-L724 HydrophobicContact CG-CB 3.83Å; K338-L724 HydrophobicContact CG-CD1 4.09Å; K338-L724 VanDerWaalsContact N-CB 3.33Å; K338-L724 CarbonylContact O-C 3.57Å; L724-L865 HydrophobicContact CD1-CD2 4.04Å; L724-L865 HydrophobicContact CD2-CD1 4Å; L724-L865 HydrophobicContact CD2-CD2 4.32Å | ||
| 725 | C | 66.2 | Low | 57.8 | Low | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | trans | -162.9 | 136.2 | 165.2 | -112 | 0 | 0 | 0 | 0 | 118.3 | E317 V337 K338 L339 L340 Y727 L915 C916 | E317-C725 VanDerWaalsContact CA-SG 3.55Å; E317-C725 HydrophobicContact CB-CB 3.48Å; E317-C725 VanDerWaalsContact CB-CB 3.48Å; E317-C725 HydrophobicContact CG-CB 3.65Å; V337-C725 VanDerWaalsContact CB-C 3.49Å; V337-C725 WeakPolarHBondContact CB-O 3.39Å; V337-C725 WeakPolarHBondContact CG1-O 3.11Å; K338-C725 VanDerWaalsContact N-N 3.16Å; K338-C725 PolarHBondContact O-SG 2.79Å; K338-C725 VanDerWaalsContact O-SG 3.37Å; L339-C725 WeakPolarHBondContact CA-SG 3.22Å; L340-C725 PolarHBondContact N-SG 2.76Å; L340-C725 VanDerWaalsContact N-SG 3.36Å; C725-Y727 HydrophobicContact CB-CE1 4.32Å; C725-L915 PolarHBondContact SG-O 3.04Å; C725-C916 WeakPolarHBondContact CB-SG 3.27Å; C725-C916 WeakPolarHBondContact SG-CB 3.14Å; C725-C916 CovalentContact SG-SG 2.04Å; C725-C916 PolarHBondContact SG-SG 2.82Å | ||
| 726 | N | 61 | Low | 60.3 | Low | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | trans | -100.2 | 96.8 | -164.6 | -169.9 | -3.7 | 0 | 0 | 0 | 118.2 | V337 L339 H728 Y734 | V337-N726 HydrophobicContact CB-CB 3.62Å; V337-N726 HydrophobicContact CG2-CB 3.56Å; V337-N726 WeakPolarHBondContact O-CB 3.47Å; L339-N726 HydrophobicContact CB-CB 3.88Å; L339-N726 VanDerWaalsContact CB-N 3.25Å; L339-N726 HydrophobicContact CD1-CB 3.88Å; L339-N726 WeakPolarHBondContact CD1-O 3.27Å; L339-N726 HydrophobicContact CG-CB 4.22Å; N726-H728 PolarHBondContact O-N 2.87Å; N726-H728 VanDerWaalsContact O-N 3.12Å; N726-H728 WeakPolarHBondContact OD1-CB 3.5Å; N726-H728 PolarHBondContact OD1-N 2.77Å; N726-Y734 PolarHBondContact ND2-OH 2.86Å | ||
| 727 | Y | 53 | Low | 62.5 | Low | 47 Ų | 47 | 47.2 Ų | 47.2 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -11.7 | -176.1 | -68.4 | 15.7 | 0 | 0 | 0 | 114.6 | H315 W316 E317 R369 S371 I373 C725 N729 | H315-Y727 HydrophobicContact CB-CD1 4.41Å; H315-Y727 HydrophobicContact CB-CD2 4.11Å; H315-Y727 HydrophobicContact CB-CE1 4.1Å; H315-Y727 HydrophobicContact CB-CE2 3.73Å; H315-Y727 HydrophobicContact CB-CG 4.41Å; H315-Y727 AromaticContact CD2-CD1 3.29Å; H315-Y727 WeakPolarHBondContact CD2-CD1 3.27Å; H315-Y727 AromaticContact CD2-CE1 3.1Å; H315-Y727 WeakPolarHBondContact CD2-CE1 3.4Å; H315-Y727 AromaticContact CD2-CG 4Å; H315-Y727 AromaticContact CD2-CZ 3.61Å; H315-Y727 VanDerWaalsContact CE1-CA 3.47Å; H315-Y727 WeakPolarHBondContact CE1-CA 3.47Å; H315-Y727 AromaticContact CE1-CD1 3.51Å; H315-Y727 AromaticContact CE1-CG 3.8Å; H315-Y727 AromaticContact CG-CD1 3.5Å; H315-Y727 VanDerWaalsContact CG-CD1 3.5Å; H315-Y727 AromaticContact CG-CD2 3.91Å; H315-Y727 AromaticContact CG-CE1 3.48Å; H315-Y727 VanDerWaalsContact CG-CE1 3.48Å; H315-Y727 AromaticContact CG-CE2 3.85Å; H315-Y727 AromaticContact CG-CG 3.71Å; H315-Y727 AromaticContact CG-CZ 3.61Å; H315-Y727 AromaticContact ND1-CD1 3.6Å; H315-Y727 AromaticContact ND1-CG 3.54Å; H315-Y727 AromaticContact NE2-CD1 3.32Å; H315-Y727 VanDerWaalsContact NE2-CD1 3.32Å; H315-Y727 WeakPolarHBondContact NE2-CD1 3.4Å; H315-Y727 AromaticContact NE2-CE1 3.59Å; H315-Y727 PolarHBondContact O-OH 3.47Å; H315-Y727 VanDerWaalsContact O-OH 3.04Å; W316-Y727 WeakPolarHBondContact O-CE1 3.13Å; W316-Y727 PolarHBondContact O-OH 2.98Å; E317-Y727 HydrophobicContact CB-CE1 3.85Å; E317-Y727 WeakPolarHBondContact CB-OH 3.33Å; R369-Y727 VanDerWaalsContact CD-OH 3.27Å; R369-Y727 WeakPolarHBondContact CD-OH 3.41Å; S371-Y727 VanDerWaalsContact OG-CE2 3.26Å; S371-Y727 WeakPolarHBondContact OG-CE2 3.16Å; S371-Y727 PolarHBondContact OG-OH 2.81Å; I373-Y727 HydrophobicContact CD1-CD2 3.84Å; I373-Y727 HydrophobicContact CD1-CE2 4.48Å; I373-Y727 HydrophobicContact CD1-CG 4.26Å; C725-Y727 HydrophobicContact CB-CE1 4.32Å; Y727-N729 PolarHBondContact O-N 2.98Å |
| 728 | H | 47.1 | Very low | 63.1 | Low | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 16.9 | -163.8 | -58.1 | -72 | 0 | 0 | 0 | 115 | N726 K840 | N726-H728 PolarHBondContact O-N 2.87Å; N726-H728 VanDerWaalsContact O-N 3.12Å; N726-H728 WeakPolarHBondContact OD1-CB 3.5Å; N726-H728 PolarHBondContact OD1-N 2.77Å; H728-K840 PolarHBondContact O-NZ 2.81Å |
| 729 | N | 49.9 | Very low | 63.4 | Low | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -127.8 | 118.3 | 170.2 | -159.1 | 5.6 | 0 | 0 | 0 | 112.6 | Y727 L731 Y732 Y836 | Y727-N729 PolarHBondContact O-N 2.98Å; N729-L731 PolarHBondContact OD1-N 3.42Å; N729-L731 VanDerWaalsContact OD1-N 3.16Å; N729-Y732 WeakPolarHBondContact CB-O 3.36Å; N729-Y732 WeakPolarHBondContact ND2-CA 3.18Å; N729-Y732 PolarHBondContact ND2-N 2.84Å; N729-Y732 VanDerWaalsContact ND2-N 3.16Å; N729-Y732 PolarHBondContact ND2-O 3.27Å; N729-Y836 VanDerWaalsContact CG-CZ 3.49Å; N729-Y836 WeakPolarHBondContact ND2-CE2 3.37Å; N729-Y836 PolarHBondContact ND2-OH 2.91Å; N729-Y836 PolarHBondContact OD1-OH 3.09Å | ||
| 730 | L | 43.5 | Very low | 63.9 | Low | 129 Ų | 129 | 41 Ų | 41 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -83.1 | -16.9 | 173.9 | -77.6 | 163 | 0 | 0 | 0 | 112.9 | L375 | L375-L730 HydrophobicContact CD2-CD1 4.31Å; L375-L730 HydrophobicContact CD2-CD2 3.95Å |
| 731 | L | 47 | Very low | 63.9 | Low | 124 Ų | 124 | 43.6 Ų | 43.6 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -95.6 | -57.8 | -176.7 | -72.7 | 159.1 | 0 | 0 | 0 | 112.3 | N729 | N729-L731 PolarHBondContact OD1-N 3.42Å; N729-L731 VanDerWaalsContact OD1-N 3.16Å |
| 732 | Y | 52.1 | Low | 63 | Low | 168 Ų | 168 | 47.5 Ų | 47.5 | 66% | 0.659 | 22% | 0.224 | S | C | * | . | trans | -127.2 | 102.9 | -173.7 | -71.7 | -77.2 | 0 | 0 | 0 | 113.1 | N729 Y734 | N729-Y732 WeakPolarHBondContact CB-O 3.36Å; N729-Y732 WeakPolarHBondContact ND2-CA 3.18Å; N729-Y732 PolarHBondContact ND2-N 2.84Å; N729-Y732 VanDerWaalsContact ND2-N 3.16Å; N729-Y732 PolarHBondContact ND2-O 3.27Å; Y732-Y734 WeakPolarHBondContact O-CD1 3.24Å | ||
| 733 | P | 55.6 | Low | 62.4 | Low | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.065 | 23% | 0.231 | C | C | . | . | trans | -89.2 | 140.3 | 176.9 | 35.3 | -35.6 | 0 | 0 | 0 | 113.9 | L339 I880 F918 | L339-P733 VanDerWaalsContact CD1-CA 3.46Å; L339-P733 HydrophobicContact CD1-CB 3.37Å; L339-P733 HydrophobicContact CD2-CB 3.79Å; L339-P733 HydrophobicContact CG-CB 4.27Å; P733-I880 VanDerWaalsContact C-CG2 3.44Å; P733-I880 HydrophobicContact CB-CG2 3.79Å; P733-I880 HydrophobicContact CG-CG2 3.95Å; P733-I880 VanDerWaalsContact CG-O 3.25Å; P733-I880 WeakPolarHBondContact CG-O 3.13Å; P733-I880 VanDerWaalsContact O-CG2 3.26Å; P733-I880 WeakPolarHBondContact O-CG2 2.85Å; P733-I880 PolarHBondContact O-N 2.84Å; P733-F918 HydrophobicContact CB-CD1 3.89Å; P733-F918 HydrophobicContact CB-CD2 3.75Å; P733-F918 HydrophobicContact CB-CE1 3.53Å; P733-F918 HydrophobicContact CB-CE2 3.57Å; P733-F918 HydrophobicContact CB-CG 4.02Å; P733-F918 HydrophobicContact CB-CZ 3.4Å; P733-F918 HydrophobicContact CG-CD1 3.88Å; P733-F918 HydrophobicContact CG-CD2 3.71Å; P733-F918 HydrophobicContact CG-CE1 4.07Å; P733-F918 HydrophobicContact CG-CE2 4.08Å; P733-F918 HydrophobicContact CG-CG 3.74Å; P733-F918 HydrophobicContact CG-CZ 4.2Å | ||
| 734 | Y | 67.6 | Low | 61.1 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 151.2 | -167.8 | 69.6 | -89 | 0 | 0 | 0 | 121.9 | D336 L339 N726 Y732 I833 F877 L878 | D336-Y734 HydrophobicContact CB-CE2 4.07Å; D336-Y734 WeakPolarHBondContact OD1-CE2 3.36Å; D336-Y734 PolarHBondContact OD1-OH 3.38Å; D336-Y734 VanDerWaalsContact OD1-OH 3.08Å; L339-Y734 VanDerWaalsContact CA-O 3.23Å; L339-Y734 WeakPolarHBondContact CA-O 3.02Å; L339-Y734 VanDerWaalsContact CB-C 3.5Å; L339-Y734 WeakPolarHBondContact CB-O 3.3Å; L339-Y734 PolarHBondContact N-O 3.08Å; L339-Y734 CarbonylContact O-C 3.57Å; L339-Y734 WeakPolarHBondContact O-CA 3.33Å; N726-Y734 PolarHBondContact ND2-OH 2.86Å; Y732-Y734 WeakPolarHBondContact O-CD1 3.24Å; Y734-I833 HydrophobicContact CD1-CD1 4.3Å; Y734-I833 HydrophobicContact CD1-CG1 4.3Å; Y734-I833 HydrophobicContact CD2-CD1 3.47Å; Y734-I833 VanDerWaalsContact CD2-CD1 3.47Å; Y734-I833 HydrophobicContact CD2-CG1 3.95Å; Y734-I833 HydrophobicContact CD2-CG2 3.9Å; Y734-I833 HydrophobicContact CE2-CD1 4.26Å; Y734-I833 HydrophobicContact CE2-CG1 4.32Å; Y734-I833 HydrophobicContact CE2-CG2 3.49Å; Y734-I833 VanDerWaalsContact CE2-CG2 3.49Å; Y734-I833 HydrophobicContact CG-CD1 3.52Å; Y734-I833 HydrophobicContact CG-CG1 3.97Å; Y734-F877 HydrophobicContact CD2-CD1 4.15Å; Y734-F877 HydrophobicContact CE2-CD1 4.44Å; Y734-L878 WeakPolarHBondContact CA-O 3.24Å; Y734-L878 WeakPolarHBondContact CB-O 2.69Å |
| 735 | I | 65.5 | Low | 60.1 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 174.3 | 171.1 | 77.1 | -161.1 | 0 | 0 | 0 | 114.1 | K338 L339 P341 Y344 L723 L737 F877 L878 F888 | K338-I735 HydrophobicContact CB-CB 3.95Å; K338-I735 HydrophobicContact CB-CG2 3.83Å; K338-I735 WeakPolarHBondContact O-CG2 3.34Å; L339-I735 PolarHBondContact O-N 2.84Å; P341-I735 HydrophobicContact CG-CB 3.36Å; P341-I735 HydrophobicContact CG-CD1 3.41Å; P341-I735 VanDerWaalsContact CG-CD1 3.41Å; P341-I735 HydrophobicContact CG-CG1 3.26Å; P341-I735 HydrophobicContact CG-CG2 3.33Å; P341-I735 VanDerWaalsContact CG-N 3.32Å; Y344-I735 HydrophobicContact CE2-CD1 3.78Å; L723-I735 HydrophobicContact CD1-CD1 4.37Å; L723-I735 HydrophobicContact CD1-CG2 4.02Å; L723-I735 HydrophobicContact CD2-CG2 3.76Å; L723-I735 HydrophobicContact CG-CG2 4.08Å; I735-L737 HydrophobicContact CD1-CD1 3.62Å; I735-L737 HydrophobicContact CD1-CD2 3.65Å; I735-L737 HydrophobicContact CD1-CG 3.27Å; I735-L737 HydrophobicContact CG1-CD1 4.2Å; I735-L737 HydrophobicContact CG1-CG 3.97Å; I735-F877 WeakPolarHBondContact O-CA 2.79Å; I735-F877 VanDerWaalsContact O-CB 3.28Å; I735-F877 WeakPolarHBondContact O-CB 3.19Å; I735-F877 WeakPolarHBondContact O-CD1 2.88Å; I735-F877 VanDerWaalsContact O-CG 3.32Å; I735-F877 WeakPolarHBondContact O-CG 3.13Å; I735-L878 HydrophobicContact CD1-CB 4.41Å; I735-L878 HydrophobicContact CD1-CD1 3.68Å; I735-L878 HydrophobicContact CD1-CD2 4.04Å; I735-L878 HydrophobicContact CD1-CG 4.29Å; I735-L878 HydrophobicContact CG1-CB 3.97Å; I735-L878 HydrophobicContact CG1-CD1 3.68Å; I735-L878 HydrophobicContact CG1-CD2 4.45Å; I735-L878 HydrophobicContact CG1-CG 4.23Å; I735-L878 PolarHBondContact N-O 2.93Å; I735-F888 HydrophobicContact CD1-CD2 4.05Å; I735-F888 HydrophobicContact CD1-CE2 3.82Å; I735-F888 HydrophobicContact CD1-CZ 4.12Å; I735-F888 HydrophobicContact CG2-CE2 4.21Å |
| 736 | M | 76 | Confident | 59.5 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 77.9 | 159.5 | 174.3 | -150.1 | 60.2 | 0 | 0 | 112.8 | D336 K338 R875 A876 F877 | D336-M736 HydrophobicContact CB-CB 3.67Å; D336-M736 HydrophobicContact CB-CE 4.17Å; D336-M736 HydrophobicContact CB-CG 4.15Å; D336-M736 HydrophobicContact CB-SD 3.69Å; K338-M736 HydrophobicContact CD-CE 3.79Å; K338-M736 WeakPolarHBondContact CD-O 3.38Å; K338-M736 WeakPolarHBondContact CE-O 3.35Å; K338-M736 HydrophobicContact CG-CB 4.15Å; K338-M736 HydrophobicContact CG-CE 3.93Å; K338-M736 WeakPolarHBondContact CG-O 3.46Å; K338-M736 PolarHBondContact NZ-O 3.42Å; M736-R875 HydrophobicContact CG-CB 4.34Å; M736-R875 HydrophobicContact CG-CG 4.31Å; M736-R875 PolarHBondContact SD-NH1 2.75Å; M736-A876 CarbonylContact C-O 3.51Å; M736-A876 WeakPolarHBondContact CA-O 2.74Å; M736-F877 HydrophobicContact CB-CD1 3.71Å; M736-F877 HydrophobicContact CB-CD2 4.46Å; M736-F877 HydrophobicContact CB-CE1 3.51Å; M736-F877 HydrophobicContact CB-CE2 4.23Å; M736-F877 HydrophobicContact CB-CG 4.23Å; M736-F877 HydrophobicContact CB-CZ 3.8Å; M736-F877 HydrophobicContact CG-CD1 4.26Å; M736-F877 HydrophobicContact CG-CD2 4.35Å; M736-F877 HydrophobicContact CG-CE1 3.71Å; M736-F877 HydrophobicContact CG-CE2 3.74Å; M736-F877 HydrophobicContact CG-CZ 3.42Å; M736-F877 VanDerWaalsContact CG-CZ 3.42Å; M736-F877 HydrophobicContact SD-CZ 4.14Å |
| 737 | L | 77 | Confident | 59.2 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 167.5 | 176 | 14.1 | 66.9 | 0 | 0 | 0 | 115.3 | K338 Y344 V721 K722 L723 I735 R875 A876 L878 F888 I890 | K338-L737 VanDerWaalsContact NZ-N 3.12Å; Y344-L737 HydrophobicContact CE2-CD2 4.48Å; Y344-L737 WeakPolarHBondContact OH-CD1 3.42Å; Y344-L737 WeakPolarHBondContact OH-CD2 3.29Å; V721-L737 HydrophobicContact CG1-CB 4.4Å; V721-L737 HydrophobicContact CG1-CD2 3.88Å; K722-L737 WeakPolarHBondContact O-CB 3.41Å; L723-L737 HydrophobicContact CD1-CB 4.3Å; L723-L737 HydrophobicContact CD1-CD2 3.71Å; L723-L737 HydrophobicContact CD1-CG 4.09Å; I735-L737 HydrophobicContact CD1-CD1 3.62Å; I735-L737 HydrophobicContact CD1-CD2 3.65Å; I735-L737 HydrophobicContact CD1-CG 3.27Å; I735-L737 HydrophobicContact CG1-CD1 4.2Å; I735-L737 HydrophobicContact CG1-CG 3.97Å; L737-R875 CarbonylContact O-C 3.53Å; L737-R875 WeakPolarHBondContact O-CA 3.2Å; L737-R875 WeakPolarHBondContact O-CB 3.43Å; L737-A876 HydrophobicContact CD1-CB 3.59Å; L737-A876 PolarHBondContact N-O 2.79Å; L737-A876 PolarHBondContact O-N 2.68Å; L737-L878 HydrophobicContact CD1-CD1 4.21Å; L737-F888 HydrophobicContact CD2-CB 3.69Å; L737-F888 HydrophobicContact CD2-CD2 3.41Å; L737-F888 VanDerWaalsContact CD2-CD2 3.41Å; L737-F888 HydrophobicContact CD2-CE2 4.34Å; L737-F888 HydrophobicContact CD2-CG 3.73Å; L737-I890 HydrophobicContact CD1-CD1 4.17Å |
| 738 | T | 79.4 | Confident | 59.4 | Low | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144 | -171 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | S720 V721 K722 K874 | S720-T738 CarbonylContact C-O 3.58Å; V721-T738 CarbonylContact C-O 3.27Å; V721-T738 WeakPolarHBondContact CA-O 3.32Å; V721-T738 PolarHBondContact N-O 2.74Å; V721-T738 VanDerWaalsContact N-O 3.1Å; K722-T738 WeakPolarHBondContact CB-OG1 3.38Å; K722-T738 PolarHBondContact N-OG1 3.17Å; T738-K874 CarbonylContact C-O 3.05Å; T738-K874 WeakPolarHBondContact CA-O 3.44Å |
| 739 | W | 74.4 | Confident | 60 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -169.3 | 173.3 | 81.2 | 98.5 | 0 | 0 | 0 | 114.2 | K719 S720 V752 I754 H873 K874 R875 A876 I890 | K719-W739 WeakPolarHBondContact O-CB 3.38Å; S720-W739 WeakPolarHBondContact O-CB 3.28Å; W739-V752 HydrophobicContact CZ2-CG1 3.76Å; W739-V752 HydrophobicContact CZ2-CG2 4.43Å; W739-I754 HydrophobicContact CH2-CD1 4.27Å; W739-I754 HydrophobicContact CZ3-CD1 4.38Å; W739-H873 CarbonylContact O-C 3.44Å; W739-H873 VanDerWaalsContact O-C 3.28Å; W739-H873 WeakPolarHBondContact O-CA 3.42Å; W739-K874 HydrophobicContact CD2-CB 3.87Å; W739-K874 HydrophobicContact CE3-CB 4.16Å; W739-K874 HydrophobicContact CG-CB 4.46Å; W739-K874 HydrophobicContact CH2-CB 4.03Å; W739-K874 HydrophobicContact CZ2-CB 3.72Å; W739-K874 HydrophobicContact CZ2-CG 4.37Å; W739-K874 HydrophobicContact CZ3-CB 4.25Å; W739-K874 PolarHBondContact N-O 2.97Å; W739-K874 WeakPolarHBondContact O-CA 3.41Å; W739-K874 VanDerWaalsContact O-CB 3.26Å; W739-K874 WeakPolarHBondContact O-CB 3.12Å; W739-K874 PolarHBondContact O-N 3.12Å; W739-R875 VanDerWaalsContact CH2-C 3.49Å; W739-R875 VanDerWaalsContact CH2-O 3.25Å; W739-R875 WeakPolarHBondContact CH2-O 3.06Å; W739-R875 VanDerWaalsContact CZ3-CA 3.46Å; W739-R875 WeakPolarHBondContact CZ3-O 3.11Å; W739-A876 HydrophobicContact CE3-CB 4.46Å; W739-A876 HydrophobicContact CH2-CB 3.55Å; W739-A876 HydrophobicContact CZ3-CB 3.29Å; W739-I890 HydrophobicContact CB-CD1 3.93Å; W739-I890 VanDerWaalsContact CD1-CG2 3.49Å; W739-I890 HydrophobicContact CD2-CB 4.43Å; W739-I890 HydrophobicContact CD2-CD1 3.41Å; W739-I890 VanDerWaalsContact CD2-CD1 3.41Å; W739-I890 HydrophobicContact CD2-CG1 4.45Å; W739-I890 HydrophobicContact CD2-CG2 3.7Å; W739-I890 HydrophobicContact CE3-CD1 3.16Å; W739-I890 HydrophobicContact CE3-CG1 4.5Å; W739-I890 HydrophobicContact CE3-CG2 4.42Å; W739-I890 HydrophobicContact CG-CB 4.24Å; W739-I890 HydrophobicContact CG-CD1 3.71Å; W739-I890 HydrophobicContact CG-CG2 3.72Å; W739-I890 HydrophobicContact CZ2-CG2 4.22Å; W739-I890 HydrophobicContact CZ3-CD1 3.82Å |
| 740 | E | 73.1 | Confident | 60.6 | Low | 36 Ų | 36 | 67.8 Ų | 67.8 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 165.3 | -163.5 | -51.2 | 161.9 | 121.4 | 0 | 0 | 115 | K719 S720 H872 | K719-E740 WeakPolarHBondContact CE-OE2 3.29Å; K719-E740 PolarHBondContact N-O 2.83Å; K719-E740 IonicContact NZ-OE1 2.75Å; K719-E740 IonicContact NZ-OE2 2.69Å; K719-E740 PolarHBondContact NZ-OE2 3.01Å; K719-E740 CarbonylContact O-C 3.59Å; K719-E740 WeakPolarHBondContact O-CA 3.27Å; K719-E740 WeakPolarHBondContact O-CB 3.23Å; K719-E740 PolarHBondContact O-N 3.29Å; S720-E740 VanDerWaalsContact CB-OE2 3.28Å; S720-E740 WeakPolarHBondContact CB-OE2 3.21Å; S720-E740 PolarHBondContact OG-OE2 2.62Å; E740-H872 WeakPolarHBondContact CA-O 3.47Å; E740-H872 HydrophobicContact CG-CB 4.43Å; E740-H872 WeakPolarHBondContact CG-O 3.35Å |
| 741 | Y | 66.5 | Low | 61.7 | Low | 79 Ų | 79 | 66.1 Ų | 66.1 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | -179.8 | 170.8 | 67.6 | -134.3 | 0 | 0 | 0 | 116.3 | E743 K874 | Y741-E743 HydrophobicContact CE2-CB 4.46Å; Y741-E743 HydrophobicContact CE2-CG 4.21Å; Y741-E743 WeakPolarHBondContact CE2-OE1 3.24Å; Y741-E743 PolarHBondContact OH-OE1 3.32Å; Y741-K874 HydrophobicContact CD1-CD 4.31Å; Y741-K874 HydrophobicContact CD1-CG 4.27Å; Y741-K874 HydrophobicContact CE1-CD 3.99Å; Y741-K874 HydrophobicContact CE1-CG 4.44Å; Y741-K874 VanDerWaalsContact CZ-CE 3.5Å; Y741-K874 PolarHBondContact OH-NZ 3.38Å |
| 742 | D | 54.4 | Low | 62.7 | Low | 98 Ų | 98 | 61.8 Ų | 61.8 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | trans | -141.6 | 152.3 | 173.3 | 163.2 | 44.7 | 0 | 0 | 0 | 112.5 | K716 | K716-D742 VanDerWaalsContact CD-O 3.3Å; K716-D742 WeakPolarHBondContact CD-O 3.42Å; K716-D742 PolarHBondContact NZ-O 3.45Å; K716-D742 IonicContact NZ-OD1 3.82Å; K716-D742 PolarHBondContact NZ-OD1 3.13Å; K716-D742 IonicContact NZ-OD2 3.39Å; K716-D742 PolarHBondContact NZ-OD2 2.8Å | ||
| 743 | E | 57.5 | Low | 63.7 | Low | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | trans | -134.6 | -7.9 | -147.8 | -144.7 | 165.5 | -127.4 | 0 | 0 | 120 | K716 Y741 I745 I749 | K716-E743 VanDerWaalsContact NZ-N 3.13Å; Y741-E743 HydrophobicContact CE2-CB 4.46Å; Y741-E743 HydrophobicContact CE2-CG 4.21Å; Y741-E743 WeakPolarHBondContact CE2-OE1 3.24Å; Y741-E743 PolarHBondContact OH-OE1 3.32Å; E743-I745 PolarHBondContact O-N 3.43Å; E743-I749 HydrophobicContact CB-CD1 4.47Å; E743-I749 HydrophobicContact CG-CD1 3.87Å; E743-I749 HydrophobicContact CG-CG1 3.98Å | ||
| 744 | T | 47.6 | Very low | 64.5 | Low | 112 Ų | 112 | 54.1 Ų | 54.1 | 69% | 0.687 | 27% | 0.274 | S | S | * | . | trans | -79.6 | -2.3 | -155.2 | 47.1 | 0 | 0 | 0 | 0 | 125.5 | K716 | K716-T744 PolarHBondContact NZ-OG1 2.91Š| ||
| 745 | I | 47.9 | Very low | 65.1 | Low | 121 Ų | 121 | 54.1 Ų | 54.1 | 62% | 0.621 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -116.1 | -6.2 | -158.1 | -68.7 | 173.4 | 0 | 0 | 0 | 117.2 | E743 | E743-I745 PolarHBondContact O-N 3.43Š|
| 746 | Y | 52.6 | Low | 65.5 | Low | 136 Ų | 136 | 54.7 Ų | 54.7 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -140.7 | -165.2 | -167 | -58.9 | -101.1 | 0 | 0 | 0 | 111.4 | R714 P715 K716 | R714-Y746 WeakPolarHBondContact O-CB 3.49Å; P715-Y746 VanDerWaalsContact CA-CB 3.49Å; K716-Y746 HydrophobicContact CB-CD2 3.6Å; K716-Y746 HydrophobicContact CB-CE2 4.01Å; K716-Y746 HydrophobicContact CB-CG 4.46Å; K716-Y746 HydrophobicContact CG-CD2 3.42Å; K716-Y746 VanDerWaalsContact CG-CD2 3.42Å; K716-Y746 HydrophobicContact CG-CE2 3.46Å; K716-Y746 VanDerWaalsContact CG-CE2 3.46Å |
| 747 | S | 55.6 | Low | 65.4 | Low | 39 Ų | 39 | 54.2 Ų | 54.2 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -56.7 | 154.9 | 153 | 92.9 | 0 | 0 | 0 | 0 | 109.6 | R714 P715 | R714-S747 WeakPolarHBondContact O-CB 3.34Å; R714-S747 PolarHBondContact O-N 2.93Å; R714-S747 PolarHBondContact O-OG 3.07Å; R714-S747 VanDerWaalsContact O-OG 3.09Å; P715-S747 WeakPolarHBondContact CA-O 3.46Å; P715-S747 WeakPolarHBondContact CG-OG 3.45Å |
| 748 | P | 57.9 | Low | 64.9 | Low | 93 Ų | 93 | 54.5 Ų | 54.5 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 153.9 | -175 | 22.8 | -34.7 | 0 | 0 | 0 | 112.3 | P715 H750 | P715-P748 WeakPolarHBondContact CB-O 3.1Å; P748-H750 PolarHBondContact O-CD2 3.44Å; P748-H750 PolarHBondContact O-N 2.89Å; P748-H750 PolarHBondContact O-NE2 3.48Å |
| 749 | I | 59.5 | Low | 63.7 | Low | 30 Ų | 30 | 53.8 Ų | 53.8 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 123.5 | -176.4 | -56.5 | -178.3 | 0 | 0 | 0 | 111.2 | K716 E743 L892 | K716-I749 HydrophobicContact CB-CD1 3.87Å; K716-I749 HydrophobicContact CB-CG1 3.69Å; K716-I749 HydrophobicContact CD-CD1 4.38Å; K716-I749 WeakPolarHBondContact O-CG2 3.11Å; E743-I749 HydrophobicContact CB-CD1 4.47Å; E743-I749 HydrophobicContact CG-CD1 3.87Å; E743-I749 HydrophobicContact CG-CG1 3.98Å; I749-L892 HydrophobicContact CD1-CD1 3.68Å; I749-L892 HydrophobicContact CG2-CD1 3.59Å |
| 750 | H | 62.4 | Low | 62.7 | Low | 122 Ų | 122 | 54.6 Ų | 54.6 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | trans | -94.1 | -21.1 | -174.3 | -62.9 | 173.8 | 0 | 0 | 0 | 116.2 | P748 | P748-H750 PolarHBondContact O-CD2 3.44Å; P748-H750 PolarHBondContact O-N 2.89Å; P748-H750 PolarHBondContact O-NE2 3.48Å | ||
| 751 | K | 66.1 | Low | 61.5 | Low | 93 Ų | 93 | 53 Ų | 53 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145.1 | -176.5 | -165.9 | 167.9 | -177.8 | 170.1 | 0 | 114.4 | D826 L892 L893 | K751-D826 IonicContact NZ-OD1 3.47Å; K751-D826 PolarHBondContact NZ-OD1 3.29Å; K751-L892 WeakPolarHBondContact O-CA 3.48Å; K751-L892 VanDerWaalsContact O-CB 3.27Å; K751-L892 WeakPolarHBondContact O-CB 3.29Å; K751-L893 HydrophobicContact CB-CB 4.39Å; K751-L893 WeakPolarHBondContact CB-O 3.27Å; K751-L893 HydrophobicContact CD-CD2 4.35Å; K751-L893 HydrophobicContact CG-CB 4.48Å; K751-L893 PolarHBondContact O-N 2.85Å |
| 752 | V | 68.2 | Low | 60.7 | Low | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.8 | 168.2 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | K343 W739 I754 I890 E891 L892 | K343-V752 PolarHBondContact NZ-O 3Å; W739-V752 HydrophobicContact CZ2-CG1 3.76Å; W739-V752 HydrophobicContact CZ2-CG2 4.43Å; V752-I754 HydrophobicContact CG1-CD1 4.31Å; V752-I754 HydrophobicContact CG1-CG1 4.05Å; V752-I890 HydrophobicContact CG1-CG2 4.12Å; V752-E891 WeakPolarHBondContact CG1-O 2.99Å; V752-L892 VanDerWaalsContact CA-CD2 3.44Å; V752-L892 HydrophobicContact CB-CD2 3.71Å; V752-L892 HydrophobicContact CG1-CD2 3.76Å; V752-L892 HydrophobicContact CG2-CD2 3.56Å |
| 753 | L | 73 | Confident | 59.9 | Low | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 153.2 | 172.5 | -152.6 | 73 | 0 | 0 | 0 | 110.3 | T824 E891 L893 | L753-T824 HydrophobicContact CD1-CG2 3.61Å; L753-T824 HydrophobicContact CD2-CG2 4.35Å; L753-T824 HydrophobicContact CG-CG2 3.85Å; L753-E891 CarbonylContact C-O 3.32Å; L753-E891 WeakPolarHBondContact CA-O 3.26Å; L753-E891 HydrophobicContact CB-CB 3.97Å; L753-E891 HydrophobicContact CB-CG 3.9Å; L753-E891 HydrophobicContact CD2-CG 4.19Å; L753-E891 HydrophobicContact CG-CG 4.29Å; L753-E891 PolarHBondContact N-O 3.32Å; L753-E891 CarbonylContact O-C 3.6Å; L753-E891 VanDerWaalsContact O-C 3.31Å; L753-E891 WeakPolarHBondContact O-CA 3.35Å; L753-E891 PolarHBondContact O-N 3.15Å; L753-L893 HydrophobicContact CB-CB 4.36Å; L753-L893 HydrophobicContact CD1-CB 4.08Å; L753-L893 HydrophobicContact CD1-CD2 3.72Å; L753-L893 HydrophobicContact CD1-CG 4.48Å |
| 754 | I | 73 | Confident | 58.8 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 151.4 | -170.3 | -72.3 | -157.8 | 0 | 0 | 0 | 105.7 | K343 Y344 W739 V752 L827 A876 R889 I890 | K343-I754 HydrophobicContact CB-CB 4.3Å; K343-I754 HydrophobicContact CB-CG2 3.95Å; K343-I754 HydrophobicContact CD-CB 3.65Å; K343-I754 HydrophobicContact CD-CD1 4.12Å; K343-I754 HydrophobicContact CD-CG1 4.02Å; K343-I754 HydrophobicContact CD-CG2 4.1Å; K343-I754 HydrophobicContact CG-CB 4.09Å; K343-I754 HydrophobicContact CG-CG2 4.29Å; K343-I754 CarbonylContact O-C 3.6Å; K343-I754 VanDerWaalsContact O-CB 3.32Å; K343-I754 WeakPolarHBondContact O-CB 3.47Å; K343-I754 WeakPolarHBondContact O-CG2 3.45Å; Y344-I754 HydrophobicContact CD1-CB 4.44Å; Y344-I754 HydrophobicContact CD1-CG2 3.24Å; Y344-I754 HydrophobicContact CD2-CG2 3.71Å; Y344-I754 HydrophobicContact CE1-CB 4.26Å; Y344-I754 HydrophobicContact CE1-CG2 2.92Å; Y344-I754 HydrophobicContact CE2-CG2 3.4Å; Y344-I754 HydrophobicContact CG-CG2 3.54Å; Y344-I754 VanDerWaalsContact OH-CG2 3.25Å; Y344-I754 WeakPolarHBondContact OH-CG2 3.41Å; W739-I754 HydrophobicContact CH2-CD1 4.27Å; W739-I754 HydrophobicContact CZ3-CD1 4.38Å; V752-I754 HydrophobicContact CG1-CD1 4.31Å; V752-I754 HydrophobicContact CG1-CG1 4.05Å; I754-L827 HydrophobicContact CD1-CD2 4.14Å; I754-A876 HydrophobicContact CD1-CB 3.72Å; I754-R889 VanDerWaalsContact CA-O 3.3Å; I754-R889 WeakPolarHBondContact CA-O 3.45Å; I754-R889 WeakPolarHBondContact CG2-O 3.3Å; I754-I890 HydrophobicContact CD1-CB 4.41Å; I754-I890 HydrophobicContact CD1-CD1 3.84Å; I754-I890 HydrophobicContact CD1-CG1 3.84Å; I754-I890 HydrophobicContact CD1-CG2 4.03Å; I754-I890 HydrophobicContact CG1-CB 4.11Å; I754-I890 HydrophobicContact CG1-CD1 4.46Å; I754-I890 HydrophobicContact CG1-CG1 3.91Å; I754-I890 HydrophobicContact CG1-CG2 3.79Å; I754-I890 HydrophobicContact CG2-CG1 4.48Å |
| 755 | T | 79.8 | Confident | 58.2 | Low | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 0 | -160.3 | 47.4 | 0 | 0 | 0 | 0 | 118.8 | K343 Y344 I363 W822 N823 T824 R889 E891 | K343-T755 PolarHBondContact O-N 3.35Å; Y344-T755 VanDerWaalsContact C-C 3.47Å; Y344-T755 VanDerWaalsContact CA-C 3.42Å; Y344-T755 VanDerWaalsContact CB-C 3.5Å; Y344-T755 WeakPolarHBondContact CD1-O 3.27Å; Y344-T755 CarbonylContact O-C 3.37Å; Y344-T755 WeakPolarHBondContact O-CA 3.28Å; I363-T755 WeakPolarHBondContact CD1-O 3.44Å; T755-W822 HydrophobicContact CG2-CB 3.85Å; T755-N823 WeakPolarHBondContact CG2-O 3.49Å; T755-T824 HydrophobicContact CG2-CG2 4.31Å; T755-R889 PolarHBondContact N-O 2.97Å; T755-R889 VanDerWaalsContact N-O 3.16Å; T755-R889 WeakPolarHBondContact OG1-CG 3.05Å; T755-R889 PolarHBondContact OG1-NE 2.84Å; T755-E891 HydrophobicContact CG2-CG 4.22Å; T755-E891 WeakPolarHBondContact CG2-OE1 3.06Å; T755-E891 PolarHBondContact OG1-OE1 2.77Å |
| 756 | Y | 73.6 | Confident | 57.3 | Low | 13 Ų | 13 | 34 Ų | 34 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | 0 | 118.8 | 0 | 87.2 | 7.8 | 0 | 0 | 0 | 114 | E342 Y344 G345 I346 N823 Y886 I950 | E342-Y756 VanDerWaalsContact C-CE1 3.49Å; E342-Y756 HydrophobicContact CB-CD2 4.14Å; E342-Y756 HydrophobicContact CB-CE1 3.91Å; E342-Y756 HydrophobicContact CB-CE2 3.53Å; E342-Y756 VanDerWaalsContact CB-CZ 3.45Å; E342-Y756 HydrophobicContact CG-CD2 4.29Å; E342-Y756 HydrophobicContact CG-CE1 4.32Å; E342-Y756 HydrophobicContact CG-CE2 3.32Å; E342-Y756 WeakPolarHBondContact CG-OH 3.43Å; E342-Y756 WeakPolarHBondContact O-CD1 3.11Å; E342-Y756 WeakPolarHBondContact O-CE1 3.34Å; E342-Y756 VanDerWaalsContact O-CZ 3.29Å; Y344-Y756 CarbonylContact C-O 3.27Å; Y344-Y756 HydrophobicContact CG-CG 4.4Å; Y344-Y756 CarbonylContact O-C 2.86Å; Y344-Y756 WeakPolarHBondContact O-CA 3.34Å; Y344-Y756 PolarHBondContact O-N 3.37Å; G345-Y756 VanDerWaalsContact C-C 3.43Å; G345-Y756 VanDerWaalsContact C-CE1 3.48Å; G345-Y756 VanDerWaalsContact CA-CB 3.42Å; G345-Y756 WeakPolarHBondContact CA-O 3.49Å; G345-Y756 PolarHBondContact N-O 3.47Å; G345-Y756 CarbonylContact O-C 3.41Å; I346-Y756 VanDerWaalsContact CA-CD2 3.48Å; I346-Y756 HydrophobicContact CB-CD2 3.15Å; I346-Y756 HydrophobicContact CB-CE2 3.33Å; I346-Y756 HydrophobicContact CB-CG 3.77Å; I346-Y756 VanDerWaalsContact CD1-CB 3.49Å; I346-Y756 HydrophobicContact CD1-CD2 4.27Å; I346-Y756 HydrophobicContact CD1-CG 4.46Å; I346-Y756 HydrophobicContact CG1-CD2 4.11Å; I346-Y756 HydrophobicContact CG1-CG 4.4Å; I346-Y756 HydrophobicContact CG2-CD2 3.81Å; I346-Y756 HydrophobicContact CG2-CE2 3.73Å; I346-Y756 PolarHBondContact O-OH 3.19Å; Y756-N823 PolarHBondContact O-N 3.11Å; Y756-Y886 AromaticContact CD2-CD1 3.46Å; Y756-Y886 HydrophobicContact CD2-CD1 3.46Å; Y756-Y886 VanDerWaalsContact CD2-CD1 3.46Å; Y756-Y886 AromaticContact CD2-CE1 3.24Å; Y756-Y886 HydrophobicContact CD2-CE1 3.24Å; Y756-Y886 AromaticContact CE2-CD1 3.96Å; Y756-Y886 HydrophobicContact CE2-CD1 3.96Å; Y756-Y886 AromaticContact CE2-CE1 3.24Å; Y756-Y886 HydrophobicContact CE2-CE1 3.24Å; Y756-I950 VanDerWaalsContact OH-CD1 3.32Å; Y756-I950 WeakPolarHBondContact OH-CD1 3.2Å | |||
| 757 | I | 74.6 | Confident | 56.1 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -157.6 | 139.3 | 173.1 | 2.7 | 57.3 | 0 | 0 | 0 | 109.5 | G345 I346 I357 T359 V360 Q361 I363 H364 Q821 | G345-I757 CarbonylContact O-C 3.18Å; G345-I757 VanDerWaalsContact O-C 3.25Å; G345-I757 WeakPolarHBondContact O-CA 3.34Å; G345-I757 PolarHBondContact O-N 2.87Å; I346-I757 WeakPolarHBondContact CD1-O 3.21Å; I346-I757 WeakPolarHBondContact CG1-O 3.49Å; I357-I757 WeakPolarHBondContact CD1-O 3.23Å; I357-I757 VanDerWaalsContact CG1-C 3.48Å; I357-I757 WeakPolarHBondContact CG1-O 3.31Å; I357-I757 HydrophobicContact CG2-CB 3.61Å; I357-I757 HydrophobicContact CG2-CG2 4.27Å; I357-I757 VanDerWaalsContact CG2-O 3.24Å; I357-I757 WeakPolarHBondContact CG2-O 3.3Å; T359-I757 WeakPolarHBondContact O-CG1 3.5Å; T359-I757 WeakPolarHBondContact O-CG2 3.45Å; V360-I757 HydrophobicContact CB-CD1 4.33Å; V360-I757 HydrophobicContact CG2-CB 4.37Å; V360-I757 HydrophobicContact CG2-CD1 4.12Å; Q361-I757 HydrophobicContact CB-CD1 4.47Å; Q361-I757 HydrophobicContact CG-CG1 4.35Å; I363-I757 HydrophobicContact CD1-CD1 3.63Å; I363-I757 HydrophobicContact CG1-CD1 4.33Å; H364-I757 WeakPolarHBondContact CE1-CD1 3.11Å; H364-I757 PolarHBondContact CE1-O 3.02Å; H364-I757 WeakPolarHBondContact NE2-CD1 3.12Å; I757-Q821 WeakPolarHBondContact CG2-O 3.18Å | ||
| 758 | T | 66.9 | Low | 54.7 | Low | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | -119.2 | 94.1 | -115.7 | -11.8 | 0 | 0 | 0 | 0 | 125 | G345 I346 K347 Y356 I357 P358 F760 | G345-T758 VanDerWaalsContact O-CB 3.23Å; G345-T758 WeakPolarHBondContact O-CB 3.21Å; G345-T758 WeakPolarHBondContact O-CG2 3.44Å; G345-T758 PolarHBondContact O-N 2.98Å; G345-T758 PolarHBondContact O-OG1 2.82Å; I346-T758 VanDerWaalsContact CA-CA 3.48Å; K347-T758 HydrophobicContact CB-CG2 3.94Å; K347-T758 HydrophobicContact CD-CG2 3.39Å; K347-T758 HydrophobicContact CG-CG2 3.59Å; Y356-T758 CarbonylContact O-C 3.56Å; I357-T758 VanDerWaalsContact CG1-N 3.33Å; P358-T758 VanDerWaalsContact CD-C 3.47Å; P358-T758 VanDerWaalsContact CD-CB 3.45Å; P358-T758 WeakPolarHBondContact CD-O 3.34Å; P358-T758 VanDerWaalsContact CG-OG1 3.29Å; P358-T758 WeakPolarHBondContact CG-OG1 3.4Å; T758-F760 WeakPolarHBondContact O-CD2 3.14Å | |||
| 759 | G | 53.8 | Low | 53.3 | Low | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -63.9 | 124.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | K347 L348 L355 Y356 I357 | K347-G759 CarbonylContact C-O 3.58Å; K347-G759 VanDerWaalsContact CA-O 3.28Å; K347-G759 WeakPolarHBondContact CA-O 3.42Å; K347-G759 WeakPolarHBondContact CB-O 3.18Å; K347-G759 CarbonylContact O-C 3.23Å; K347-G759 WeakPolarHBondContact O-CA 3.35Å; K347-G759 PolarHBondContact O-N 2.65Å; L348-G759 CarbonylContact C-O 3.58Å; L348-G759 WeakPolarHBondContact CA-O 3.46Å; L348-G759 PolarHBondContact N-O 2.93Å; L355-G759 WeakPolarHBondContact O-CA 3.37Å; Y356-G759 CarbonylContact O-C 3.26Å; Y356-G759 WeakPolarHBondContact O-CA 3.19Å; I357-G759 VanDerWaalsContact CG1-N 3.33Å | ||
| 760 | F | 53.3 | Low | 51.9 | Low | 25 Ų | 25 | 29.8 Ų | 29.8 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | trans | -161.5 | 113.4 | 178.6 | 54.1 | 174.8 | 0 | 0 | 0 | 128.4 | K347 K349 E354 Y356 P358 T758 P949 | K347-F760 HydrophobicContact CB-CB 3.98Å; K347-F760 HydrophobicContact CB-CD1 4.24Å; K347-F760 HydrophobicContact CB-CG 4.21Å; K347-F760 HydrophobicContact CD-CB 4.45Å; K347-F760 HydrophobicContact CD-CD1 3.12Å; K347-F760 HydrophobicContact CD-CE1 3.32Å; K347-F760 HydrophobicContact CD-CG 3.9Å; K347-F760 HydrophobicContact CD-CZ 4.17Å; K347-F760 HydrophobicContact CG-CD1 4.1Å; K349-F760 HydrophobicContact CB-CB 3.46Å; K349-F760 VanDerWaalsContact CB-CB 3.46Å; K349-F760 HydrophobicContact CD-CB 3.54Å; K349-F760 HydrophobicContact CD-CD1 4.28Å; K349-F760 HydrophobicContact CD-CG 4.23Å; K349-F760 VanDerWaalsContact CE-CG 3.43Å; K349-F760 HydrophobicContact CG-CB 3.76Å; K349-F760 VanDerWaalsContact NZ-CB 3.28Å; K349-F760 PolarHBondContact NZ-O 3.11Å; E354-F760 VanDerWaalsContact OE2-C 3.28Å; Y356-F760 VanDerWaalsContact CA-N 3.33Å; Y356-F760 HydrophobicContact CD1-CD2 4.06Å; Y356-F760 HydrophobicContact CD1-CE2 4.24Å; Y356-F760 AromaticContact CD2-CD2 3.51Å; Y356-F760 HydrophobicContact CD2-CD2 3.51Å; Y356-F760 HydrophobicContact CD2-CE2 4.16Å; Y356-F760 HydrophobicContact CD2-CG 4.41Å; Y356-F760 WeakPolarHBondContact CD2-O 3.21Å; Y356-F760 AromaticContact CE1-CD2 3.83Å; Y356-F760 HydrophobicContact CE1-CD2 3.83Å; Y356-F760 AromaticContact CE1-CE2 3.57Å; Y356-F760 HydrophobicContact CE1-CE2 3.57Å; Y356-F760 AromaticContact CE2-CD2 3.3Å; Y356-F760 HydrophobicContact CE2-CD2 3.3Å; Y356-F760 AromaticContact CE2-CE2 3.54Å; Y356-F760 HydrophobicContact CE2-CE2 3.54Å; Y356-F760 HydrophobicContact CE2-CG 4.3Å; Y356-F760 AromaticContact CG-CD2 3.83Å; Y356-F760 HydrophobicContact CG-CD2 3.83Å; Y356-F760 HydrophobicContact CG-CE2 4.43Å; Y356-F760 AromaticContact CZ-CD2 3.44Å; Y356-F760 VanDerWaalsContact CZ-CD2 3.44Å; Y356-F760 AromaticContact CZ-CE2 3.16Å; Y356-F760 WeakPolarHBondContact O-CD2 3.39Å; Y356-F760 PolarHBondContact O-N 3.2Å; Y356-F760 VanDerWaalsContact OH-CE2 3.26Å; Y356-F760 WeakPolarHBondContact OH-CE2 3.09Å; P358-F760 HydrophobicContact CB-CE2 4.46Å; P358-F760 HydrophobicContact CG-CE2 4.24Å; P358-F760 HydrophobicContact CG-CZ 4.48Å; T758-F760 WeakPolarHBondContact O-CD2 3.14Å; F760-P949 HydrophobicContact CD1-CB 3.85Å; F760-P949 HydrophobicContact CE1-CB 4.15Å; F760-P949 HydrophobicContact CE1-CG 4.4Å | ||
| 761 | Y | 46.8 | Very low | 50.1 | Low | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | trans | -80.2 | 146.7 | 168.8 | -131.5 | -22.6 | 0 | 0 | 0 | 120.7 | E208 I213 I214 K303 K349 N350 L353 E354 F801 T805 | E208-Y761 WeakPolarHBondContact OE2-CE1 3.22Å; I213-Y761 HydrophobicContact CD1-CD2 4.13Å; I213-Y761 HydrophobicContact CD1-CE2 3.21Å; I213-Y761 VanDerWaalsContact CD1-CZ 3.48Å; I213-Y761 VanDerWaalsContact CD1-OH 3.29Å; I213-Y761 WeakPolarHBondContact CD1-OH 3.03Å; I213-Y761 HydrophobicContact CG1-CD2 4.41Å; I213-Y761 HydrophobicContact CG1-CE1 4.1Å; I213-Y761 HydrophobicContact CG1-CE2 3.6Å; I213-Y761 VanDerWaalsContact CG1-OH 3.22Å; I213-Y761 WeakPolarHBondContact CG1-OH 3.31Å; I214-Y761 WeakPolarHBondContact O-CE1 3.42Å; I214-Y761 PolarHBondContact O-OH 2.95Å; K303-Y761 HydrophobicContact CB-CD2 4.37Å; K303-Y761 HydrophobicContact CB-CE2 3.83Å; K303-Y761 HydrophobicContact CD-CE1 4.31Å; K303-Y761 HydrophobicContact CD-CE2 4.3Å; K303-Y761 HydrophobicContact CG-CD1 4.48Å; K303-Y761 HydrophobicContact CG-CD2 3.72Å; K303-Y761 HydrophobicContact CG-CE1 4.36Å; K303-Y761 HydrophobicContact CG-CE2 3.49Å; K303-Y761 VanDerWaalsContact CG-CE2 3.49Å; K303-Y761 HydrophobicContact CG-CG 4.13Å; K349-Y761 CarbonylContact C-O 3.54Å; K349-Y761 WeakPolarHBondContact CB-O 3.21Å; K349-Y761 VanDerWaalsContact CD-C 3.43Å; K349-Y761 WeakPolarHBondContact CD-O 2.8Å; K349-Y761 WeakPolarHBondContact CG-O 3.12Å; K349-Y761 VanDerWaalsContact O-CB 3.31Å; K349-Y761 WeakPolarHBondContact O-CB 3.47Å; N350-Y761 HydrophobicContact CB-CD2 3.85Å; N350-Y761 HydrophobicContact CB-CG 4.1Å; N350-Y761 WeakPolarHBondContact ND2-CB 3.07Å; N350-Y761 VanDerWaalsContact ND2-CG 3.31Å; N350-Y761 PolarHBondContact OD1-O 2.72Å; N350-Y761 VanDerWaalsContact OD1-O 3.13Å; L353-Y761 HydrophobicContact CB-CD2 3.56Å; L353-Y761 HydrophobicContact CB-CE2 3.85Å; L353-Y761 WeakPolarHBondContact O-CD2 3.38Å; L353-Y761 WeakPolarHBondContact O-CE2 3.14Å; E354-Y761 HydrophobicContact CB-CD2 3.82Å; E354-Y761 HydrophobicContact CB-CG 3.82Å; E354-Y761 VanDerWaalsContact CB-N 3.31Å; E354-Y761 WeakPolarHBondContact OE2-CA 3.39Å; E354-Y761 WeakPolarHBondContact OE2-CB 3.49Å; E354-Y761 VanDerWaalsContact OE2-CG 3.28Å; E354-Y761 PolarHBondContact OE2-N 2.89Å; Y761-F801 HydrophobicContact CE2-CB 4.15Å; Y761-T805 HydrophobicContact CE1-CG2 3.99Å; Y761-T805 HydrophobicContact CE2-CG2 4.42Å; Y761-T805 WeakPolarHBondContact OH-CG2 3.47Å | ||
| 762 | R | 50 | Low | 48.2 | Very low | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | trans | -168.1 | 179.7 | 171 | -120.7 | -164.6 | -168.3 | 122.2 | 41.6 | 117 | E208 K349 N350 P949 H952 | E208-R762 VanDerWaalsContact CB-O 3.24Å; E208-R762 WeakPolarHBondContact CB-O 3.2Å; E208-R762 WeakPolarHBondContact CG-O 2.92Å; E208-R762 CarbonylContact O-C 3.03Å; E208-R762 VanDerWaalsContact OE1-O 3.11Å; K349-R762 HydrophobicContact CD-CB 3.61Å; K349-R762 HydrophobicContact CD-CG 3.52Å; K349-R762 HydrophobicContact CG-CB 4.47Å; K349-R762 HydrophobicContact CG-CG 3.91Å; N350-R762 VanDerWaalsContact OD1-CA 3.3Å; N350-R762 WeakPolarHBondContact OD1-CA 3.42Å; R762-P949 VanDerWaalsContact NH1-CA 3.29Å; R762-P949 PolarHBondContact NH2-O 2.61Å; R762-H952 VanDerWaalsContact CZ-CG 3.45Å; R762-H952 PolarHBondContact NH1-CE1 3.24Å; R762-H952 VanDerWaalsContact NH1-CE1 3.34Å; R762-H952 PolarHBondContact NH1-ND1 2.92Å; R762-H952 VanDerWaalsContact NH2-CB 3.28Å; R762-H952 VanDerWaalsContact NH2-CG 3.28Å; R762-H952 PolarHBondContact NH2-ND1 3.33Å | ||
| 763 | P | 38.3 | Very low | 46.3 | Very low | 14 Ų | 14 | 37.7 Ų | 37.7 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | cis | -108.2 | 0 | -36.1 | 12.3 | -3 | 0 | 0 | 0 | 139 | H207 E208 P955 G956 | H207-P763 HydrophobicContact CB-CB 3.7Å; H207-P763 HydrophobicContact CB-CG 4.32Å; H207-P763 WeakPolarHBondContact CB-O 3.36Å; H207-P763 VanDerWaalsContact CG-CB 3.46Å; H207-P763 CarbonylContact O-C 3.59Å; H207-P763 VanDerWaalsContact O-CA 3.23Å; H207-P763 WeakPolarHBondContact O-CA 3.13Å; H207-P763 WeakPolarHBondContact O-CB 3.29Å; H207-P763 WeakPolarHBondContact O-CD 3.45Å; H207-P763 WeakPolarHBondContact O-CG 3.22Å; E208-P763 VanDerWaalsContact C-CA 3.41Å; E208-P763 VanDerWaalsContact CA-CA 3.44Å; E208-P763 VanDerWaalsContact CA-N 3.31Å; E208-P763 CarbonylContact O-C 2.74Å; E208-P763 WeakPolarHBondContact O-CA 3.34Å; P763-P955 VanDerWaalsContact O-CA 3.29Å; P763-P955 WeakPolarHBondContact O-CA 2.82Å; P763-P955 WeakPolarHBondContact O-CB 3.49Å; P763-G956 PolarHBondContact O-N 2.89Å | ||
| 764 | I | 34.9 | Very low | 44 | Very low | 22 Ų | 22 | 40.3 Ų | 40.3 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | S | Bend | 0 | 0 | 0 | -6.4 | 159.4 | 0 | 0 | 0 | 136.6 | V206 H207 E208 D209 H212 P955 Y1030 | V206-I764 HydrophobicContact CB-CB 3.64Å; V206-I764 HydrophobicContact CB-CG2 3.75Å; V206-I764 HydrophobicContact CG1-CB 3.59Å; V206-I764 HydrophobicContact CG1-CD1 3.59Å; V206-I764 HydrophobicContact CG1-CG1 4.17Å; V206-I764 HydrophobicContact CG1-CG2 3.58Å; H207-I764 HydrophobicContact CB-CB 4.28Å; H207-I764 HydrophobicContact CB-CG1 4.27Å; E208-I764 WeakPolarHBondContact CA-O 3.39Å; E208-I764 PolarHBondContact O-N 2.89Å; E208-I764 VanDerWaalsContact O-N 3.11Å; D209-I764 HydrophobicContact CB-CB 3.84Å; D209-I764 HydrophobicContact CB-CG1 3.59Å; D209-I764 HydrophobicContact CB-CG2 3.87Å; D209-I764 VanDerWaalsContact CG-CG1 3.48Å; D209-I764 VanDerWaalsContact CG-CG2 3.42Å; D209-I764 WeakPolarHBondContact OD1-CG2 3.1Å; H212-I764 HydrophobicContact CB-CG2 3.49Å; H212-I764 VanDerWaalsContact CB-CG2 3.49Å; H212-I764 WeakPolarHBondContact CB-O 3.35Å; H212-I764 VanDerWaalsContact ND1-CG2 3.28Å; H212-I764 WeakPolarHBondContact ND1-CG2 2.96Å; I764-P955 HydrophobicContact CG1-CB 4.28Å; I764-Y1030 HydrophobicContact CD1-CD2 3.33Å; I764-Y1030 HydrophobicContact CD1-CE2 3.28Å; I764-Y1030 HydrophobicContact CD1-CG 4.41Å; I764-Y1030 HydrophobicContact CG1-CD2 3.73Å; I764-Y1030 HydrophobicContact CG1-CE2 3.58Å | |
| 765 | E | 34.3 | Very low | 41.8 | Very low | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | 0 | -44.9 | 0 | -176.5 | -159.6 | -138.8 | 0 | 0 | 130.9 | K190 Q192 W193 F205 V206 H207 E208 | K190-E765 IonicContact NZ-OE1 3.41Å; Q192-E765 WeakPolarHBondContact CA-OE2 3.35Å; Q192-E765 WeakPolarHBondContact CB-OE2 3.31Å; Q192-E765 WeakPolarHBondContact CG-OE1 3.39Å; Q192-E765 PolarHBondContact NE2-OE1 3.13Å; W193-E765 PolarHBondContact N-OE2 3.31Å; F205-E765 HydrophobicContact CB-CB 3.72Å; F205-E765 HydrophobicContact CB-CG 3.62Å; F205-E765 HydrophobicContact CD1-CG 3.88Å; F205-E765 WeakPolarHBondContact CD1-OE2 3.16Å; F205-E765 HydrophobicContact CG-CG 3.99Å; F205-E765 WeakPolarHBondContact O-CA 3.43Å; F205-E765 PolarHBondContact O-N 3.43Å; V206-E765 VanDerWaalsContact C-C 3.43Å; H207-E765 CarbonylContact C-O 3.59Å; H207-E765 VanDerWaalsContact CA-O 3.26Å; H207-E765 WeakPolarHBondContact CA-O 3.37Å; H207-E765 PolarHBondContact ND1-O 3.37Å; H207-E765 CarbonylContact O-C 2.59Å; H207-E765 WeakPolarHBondContact O-CA 3.29Å; H207-E765 WeakPolarHBondContact O-CB 3.34Å; H207-E765 WeakPolarHBondContact O-CG 3.24Å; E208-E765 HydrophobicContact CG-CB 4.01Å | |||
| 766 | S | 29.6 | Very low | 39.3 | Very low | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -171 | -2.1 | 156.2 | 23 | 0 | 0 | 0 | 0 | 125.6 | N204 F205 V206 H207 | N204-S766 PolarHBondContact ND2-O 2.92Å; F205-S766 VanDerWaalsContact CB-N 3.26Å; F205-S766 WeakPolarHBondContact CD2-OG 3.43Å; V206-S766 CarbonylContact O-C 3.57Å; V206-S766 WeakPolarHBondContact O-CA 3.04Å; V206-S766 PolarHBondContact O-N 3.1Å; H207-S766 VanDerWaalsContact CA-N 3.29Å |
| 767 | Y | 27.1 | Very low | 37 | Very low | 104 Ų | 104 | 61.4 Ų | 61.4 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | trans | -165.4 | 175.3 | 169.5 | -113.1 | -24.5 | 0 | 0 | 0 | 112 | I195 L202 N204 V206 | I195-Y767 WeakPolarHBondContact CG2-O 3.42Å; L202-Y767 HydrophobicContact CD1-CD2 4.07Å; L202-Y767 HydrophobicContact CD1-CE2 4.04Å; N204-Y767 WeakPolarHBondContact ND2-CB 3.23Å; N204-Y767 WeakPolarHBondContact ND2-CD2 3.32Å; V206-Y767 WeakPolarHBondContact CA-O 3.38Å; V206-Y767 PolarHBondContact N-O 2.03Å; V206-Y767 PolarHBondContact O-N 2.87Å | ||
| 768 | S | 25.8 | Very low | 34.6 | Very low | 39 Ų | 39 | 70.1 Ų | 70.1 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | cis | -162.8 | -143.9 | 41.3 | 68.5 | 0 | 0 | 0 | 0 | 115.4 | D197 | D197-S768 WeakPolarHBondContact CB-OG 3.42Å; D197-S768 WeakPolarHBondContact OD2-CB 3.47Å; D197-S768 PolarHBondContact OD2-OG 2.8Å | ||
| 769 | L | 27.7 | Very low | 32.6 | Very low | 27 Ų | 27 | 76.5 Ų | 76.5 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | trans | 72.7 | 94.4 | 174.5 | -71 | 163.2 | 0 | 0 | 0 | 121 | D197 R231 L233 | D197-L769 VanDerWaalsContact CG-CD2 3.41Å; D197-L769 WeakPolarHBondContact OD1-CD2 3.48Å; D197-L769 WeakPolarHBondContact OD2-CA 3.26Å; D197-L769 WeakPolarHBondContact OD2-CD2 3.22Å; D197-L769 WeakPolarHBondContact OD2-CG 3.44Å; D197-L769 PolarHBondContact OD2-N 2.66Å; R231-L769 HydrophobicContact CB-CD1 3.63Å; R231-L769 HydrophobicContact CB-CD2 3.89Å; R231-L769 HydrophobicContact CB-CG 4.38Å; R231-L769 HydrophobicContact CG-CD1 4.24Å; R231-L769 HydrophobicContact CG-CD2 4.04Å; R231-L769 PolarHBondContact NH1-O 2.93Å; L233-L769 HydrophobicContact CD1-CD1 4.49Å; L233-L769 HydrophobicContact CD2-CD1 3.51Å; L233-L769 HydrophobicContact CD2-CG 4.19Å; L233-L769 HydrophobicContact CG-CD1 4.06Å | ||
| 770 | I | 30.9 | Very low | 31.1 | Very low | 39 Ų | 39 | 82.8 Ų | 82.8 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | trans | 57.5 | 107 | 137.1 | -61 | 169.4 | 0 | 0 | 0 | 116.2 | E199 D200 R231 | E199-I770 HydrophobicContact CB-CD1 3.77Å; E199-I770 HydrophobicContact CG-CD1 4.31Å; E199-I770 VanDerWaalsContact OE2-CD1 3.25Å; E199-I770 WeakPolarHBondContact OE2-CD1 3.06Å; D200-I770 PolarHBondContact OD2-N 3.05Å; R231-I770 PolarHBondContact NH2-O 2.9Å | ||
| 771 | K | 24.9 | Very low | 29.8 | Very low | 130 Ų | 130 | 88.6 Ų | 88.6 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | 63.9 | 159.7 | 61.5 | -58.8 | 179 | -174.1 | 163.1 | 0 | 114.2 | D200 | D200-K771 WeakPolarHBondContact OD1-CD 3.23Å; D200-K771 VanDerWaalsContact OD1-CE 3.22Å; D200-K771 WeakPolarHBondContact OD1-CE 3.29Å; D200-K771 IonicContact OD1-NZ 3.61Å; D200-K771 PolarHBondContact OD1-NZ 3.4Å | |||
| 772 | H | 26.3 | Very low | 28.8 | Very low | 154 Ų | 154 | 97.2 Ų | 97.2 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | trans | 56.8 | 95.6 | 179.3 | -51.5 | -73.9 | 0 | 0 | 0 | 113.3 | ||||
| 773 | N | 27 | Very low | 27.6 | Very low | 131 Ų | 131 | 107 Ų | 107 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | -161 | 155.6 | 52.7 | -89.1 | -34.5 | 0 | 0 | 0 | 115.1 | |||||
| 774 | H | 26.6 | Very low | 27 | Very low | 72 Ų | 72 | 115.3 Ų | 115.3 | 33% | 0.333 | 56% | 0.557 | S | S | . | * | trans | -30.4 | 154.8 | 149.7 | -78.1 | -87.8 | 0 | 0 | 0 | 117.3 | N1661 T1662 T1663 | H774-N1661 PolarHBondContact NE2-O 2.96Å; H774-T1662 PolarHBondContact CE1-OG1 2.76Å; H774-T1662 PolarHBondContact NE2-O 3.3Å; H774-T1662 PolarHBondContact NE2-OG1 2.87Å; H774-T1663 PolarHBondContact CE1-OG1 3.46Å; H774-T1663 PolarHBondContact NE2-OG1 3.43Å | ||
| 775 | N | 25.5 | Very low | 26.5 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | trans | 73.1 | 53.6 | 159.2 | -59.1 | -44.9 | 0 | 0 | 0 | 117.9 | ||||
| 776 | V | 27.3 | Very low | 26.1 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | trans | -123.8 | 92.4 | 152.2 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 777 | K | 25.4 | Very low | 26 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -76.9 | 177.1 | 146.6 | -75.1 | -176.9 | 175.3 | 179.8 | 0 | 108.6 | ||||
| 778 | F | 23.5 | Very low | 26.1 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | 77 | 149.9 | 171.8 | -45.2 | -71.9 | 0 | 0 | 0 | 113.7 | ||||
| 779 | I | 24.9 | Very low | 26.1 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | cis | -151 | 173.5 | -7.4 | -125.8 | 163.3 | 0 | 0 | 0 | 110.6 | ||||
| 780 | D | 23.9 | Very low | 26.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -48.3 | 166.4 | 177.6 | -62.8 | -92.4 | 0 | 0 | 0 | 118.5 | Q782 | D780-Q782 PolarHBondContact O-N 3Š| ||
| 781 | N | 25.6 | Very low | 26 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -28.6 | 128.3 | 156.7 | -58.1 | -77.4 | 0 | 0 | 0 | 114.5 | ||
| 782 | Q | 25.6 | Very low | 26.1 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -176.4 | -22.5 | 131.3 | -104.9 | 166.2 | 26.1 | 0 | 0 | 116.1 | D780 | D780-Q782 PolarHBondContact O-N 3Š| ||
| 783 | Y | 24.6 | Very low | 26.2 | Very low | 224 Ų | 224 | 138.8 Ų | 138.8 | 88% | 0.878 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 99.8 | -173.7 | -76.8 | -89.2 | 0 | 0 | 0 | 114 | ||
| 784 | F | 25.6 | Very low | 26.4 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 82% | 0.82 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.2 | 6.5 | 135.5 | -116.9 | -76.1 | 0 | 0 | 0 | 114.9 | ||
| 785 | N | 24.9 | Very low | 26.6 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -62.1 | 144.9 | 152.5 | -97.5 | -38.5 | 0 | 0 | 0 | 109.3 | ||
| 786 | Q | 26.3 | Very low | 26.8 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | trans | 65.3 | 69.4 | 172.7 | -56.2 | -179.3 | -5.8 | 0 | 0 | 117.6 | ||||
| 787 | S | 27 | Very low | 27.1 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | -171 | 140.4 | 129.9 | 34.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 788 | I | 28.2 | Very low | 27.6 | Very low | 161 Ų | 161 | 110 Ų | 110 | 83% | 0.826 | 55% | 0.548 | S | S | * | . | cis | -153.1 | 165.3 | -21.7 | -128 | 159 | 0 | 0 | 0 | 108.7 | ||||
| 789 | N | 26.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 101.4 Ų | 101.4 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | trans | -61.8 | 149.5 | -179.5 | -63 | -45.1 | 0 | 0 | 0 | 114.2 | ||||
| 790 | N | 27.6 | Very low | 28.7 | Very low | 133 Ų | 133 | 95.1 Ų | 95.1 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | trans | 80 | 105.6 | 150.8 | -56.6 | -20.8 | 0 | 0 | 0 | 120.7 | ||||
| 791 | N | 27.7 | Very low | 29.6 | Very low | 115 Ų | 115 | 88.8 Ų | 88.8 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | 112 | 83.1 | 126.1 | -58.8 | -26.8 | 0 | 0 | 0 | 118.7 | D376 | D376-N791 WeakPolarHBondContact O-CA 3.31Å; D376-N791 WeakPolarHBondContact OD1-CA 3.17Å; D376-N791 PolarHBondContact OD1-N 3.3Å | |||
| 792 | L | 27.5 | Very low | 30.4 | Very low | 67 Ų | 67 | 81.8 Ų | 81.8 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -163.1 | 35.6 | 163.4 | -112.4 | 166.4 | 0 | 0 | 0 | 118.8 | D376 | D376-L792 VanDerWaalsContact CB-C 3.43Å; D376-L792 PolarHBondContact O-N 3.23Å; D376-L792 PolarHBondContact OD1-N 2.85Å; D376-L792 WeakPolarHBondContact OD2-CA 3.19Å; D376-L792 VanDerWaalsContact OD2-CB 3.25Å; D376-L792 WeakPolarHBondContact OD2-CB 3.46Å; D376-L792 PolarHBondContact OD2-N 3.38Å; D376-L792 VanDerWaalsContact OD2-N 3.11Å |
| 793 | N | 28.6 | Very low | 31.7 | Very low | 11 Ų | 11 | 75.4 Ų | 75.4 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | 87.1 | 138.1 | 160.7 | -146.8 | 0.6 | 0 | 0 | 0 | 120.5 | N374 L375 D376 Y377 K795 N796 | N374-N793 CarbonylContact C-O 3.39Å; N374-N793 WeakPolarHBondContact CB-O 3.02Å; L375-N793 PolarHBondContact N-O 3.01Å; D376-N793 WeakPolarHBondContact CA-O 3.31Å; D376-N793 VanDerWaalsContact CB-N 3.34Å; D376-N793 WeakPolarHBondContact CB-O 3.17Å; D376-N793 PolarHBondContact N-O 2.87Å; D376-N793 PolarHBondContact O-N 3.28Å; Y377-N793 HydrophobicContact CD1-CB 3.54Å; Y377-N793 WeakPolarHBondContact CD1-OD1 3.17Å; Y377-N793 HydrophobicContact CD2-CB 3.87Å; Y377-N793 HydrophobicContact CE1-CB 3.68Å; Y377-N793 VanDerWaalsContact CE1-CG 3.41Å; Y377-N793 WeakPolarHBondContact CE1-ND2 3.41Å; Y377-N793 HydrophobicContact CE2-CB 4.01Å; Y377-N793 HydrophobicContact CG-CB 3.59Å; N793-K795 VanDerWaalsContact C-N 3.27Å; N793-K795 WeakPolarHBondContact CB-O 3.32Å; N793-K795 WeakPolarHBondContact ND2-CB 3.33Å; N793-K795 PolarHBondContact ND2-O 3.02Å; N793-K795 VanDerWaalsContact ND2-O 3.14Å; N793-K795 WeakPolarHBondContact OD1-CG 3.43Å; N793-K795 PolarHBondContact OD1-N 2.88Å; N793-K795 VanDerWaalsContact OD1-N 3.08Å; N793-N796 PolarHBondContact ND2-OD1 3.38Å |
| 794 | P | 30.7 | Very low | 32.9 | Very low | 29 Ų | 29 | 65 Ų | 65 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.4 | 30 | 138.3 | -33.8 | 41.1 | 0 | 0 | 0 | 119.4 | I373 N374 Y377 | I373-P794 CarbonylContact C-O 3.27Å; I373-P794 WeakPolarHBondContact CA-O 3.47Å; I373-P794 HydrophobicContact CB-CB 4.5Å; I373-P794 HydrophobicContact CG2-CB 3.79Å; I373-P794 HydrophobicContact CG2-CG 4.43Å; N374-P794 VanDerWaalsContact C-CA 3.42Å; N374-P794 VanDerWaalsContact CA-CA 3.5Å; N374-P794 VanDerWaalsContact CB-CA 3.47Å; N374-P794 VanDerWaalsContact N-CA 3.28Å; N374-P794 PolarHBondContact N-O 3.4Å; Y377-P794 VanDerWaalsContact C-CD 3.45Å; Y377-P794 WeakPolarHBondContact O-CD 2.95Å |
| 795 | K | 30.9 | Very low | 34.3 | Very low | 26 Ų | 26 | 56.1 Ų | 56.1 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | trans | -141.3 | 164.9 | 170.3 | -30.3 | 165 | 162.9 | -84.5 | 0 | 105.6 | I282 N374 I379 I381 D383 N793 | I282-K795 HydrophobicContact CD1-CB 3.95Å; I282-K795 HydrophobicContact CG1-CB 4.26Å; N374-K795 PolarHBondContact ND2-O 2.88Å; N374-K795 VanDerWaalsContact OD1-CA 3.32Å; N374-K795 WeakPolarHBondContact OD1-CA 3.36Å; N374-K795 PolarHBondContact OD1-O 2.89Å; I379-K795 WeakPolarHBondContact O-CE 3.3Å; I381-K795 WeakPolarHBondContact O-CE 3.13Å; I381-K795 PolarHBondContact O-NZ 2.96Å; D383-K795 WeakPolarHBondContact OD1-CD 3.22Å; D383-K795 WeakPolarHBondContact OD1-CG 3.28Å; D383-K795 IonicContact OD1-NZ 2.7Å; D383-K795 PolarHBondContact OD1-NZ 2.97Å; D383-K795 IonicContact OD2-NZ 2.77Å; D383-K795 PolarHBondContact OD2-NZ 3.28Å; N793-K795 VanDerWaalsContact C-N 3.27Å; N793-K795 WeakPolarHBondContact CB-O 3.32Å; N793-K795 WeakPolarHBondContact ND2-CB 3.33Å; N793-K795 PolarHBondContact ND2-O 3.02Å; N793-K795 VanDerWaalsContact ND2-O 3.14Å; N793-K795 WeakPolarHBondContact OD1-CG 3.43Å; N793-K795 PolarHBondContact OD1-N 2.88Å; N793-K795 VanDerWaalsContact OD1-N 3.08Å | ||
| 796 | N | 31 | Very low | 35.7 | Very low | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 121.6 | -55.6 | 179.7 | -60.7 | -3.7 | 0 | 0 | 0 | 111.5 | K280 R281 I282 Y307 G308 Y309 N374 N793 | K280-N796 PolarHBondContact O-OD1 3.19Å; R281-N796 CarbonylContact C-O 2.93Å; R281-N796 VanDerWaalsContact C-O 3.27Å; I282-N796 WeakPolarHBondContact CA-O 3.49Å; I282-N796 VanDerWaalsContact CG2-C 3.49Å; I282-N796 WeakPolarHBondContact CG2-O 3.31Å; I282-N796 PolarHBondContact N-O 2.7Å; Y307-N796 CarbonylContact C-O 3.5Å; G308-N796 WeakPolarHBondContact CA-O 3.42Å; G308-N796 PolarHBondContact N-O 2.93Å; Y309-N796 WeakPolarHBondContact O-CB 3.09Å; Y309-N796 PolarHBondContact O-ND2 3.17Å; N374-N796 PolarHBondContact OD1-N 3.16Å; N374-N796 VanDerWaalsContact OD1-N 3.07Å; N793-N796 PolarHBondContact ND2-OD1 3.38Å |
| 797 | N | 31.8 | Very low | 37.2 | Very low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -130.6 | 151.7 | 173.7 | 98.7 | -81 | 0 | 0 | 0 | 112.6 | Y307 G308 P310 L311 P312 N374 | Y307-N797 HydrophobicContact CD2-CB 3.88Å; Y307-N797 HydrophobicContact CE2-CB 4.31Å; Y307-N797 HydrophobicContact CG-CB 4.48Å; G308-N797 VanDerWaalsContact N-CB 3.31Å; P310-N797 VanDerWaalsContact O-CB 3.25Å; P310-N797 WeakPolarHBondContact O-CB 3.41Å; P310-N797 PolarHBondContact O-OD1 2.7Å; L311-N797 VanDerWaalsContact CA-CG 3.45Å; L311-N797 VanDerWaalsContact CA-ND2 3.3Å; L311-N797 WeakPolarHBondContact CA-ND2 3.36Å; L311-N797 WeakPolarHBondContact CA-OD1 3.38Å; L311-N797 PolarHBondContact N-OD1 3.16Å; P312-N797 WeakPolarHBondContact CD-OD1 3.22Å; P312-N797 PolarHBondContact O-ND2 2.77Å; N374-N797 VanDerWaalsContact CG-O 3.29Å; N374-N797 PolarHBondContact ND2-N 3.46Å; N374-N797 PolarHBondContact ND2-OD1 2.72Å; N374-N797 PolarHBondContact OD1-N 3.28Å; N374-N797 PolarHBondContact OD1-O 3.25Å | ||
| 798 | L | 36.1 | Very low | 38.6 | Very low | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -133.1 | -168.6 | -178.7 | -101.4 | 51.6 | 0 | 0 | 0 | 108 | I282 M306 P312 K313 I314 G372 I373 | I282-L798 HydrophobicContact CD1-CD1 3.61Å; I282-L798 HydrophobicContact CD1-CD2 4.1Å; I282-L798 HydrophobicContact CG2-CB 4.05Å; I282-L798 HydrophobicContact CG2-CD1 3.66Å; I282-L798 HydrophobicContact CG2-CD2 3.98Å; I282-L798 HydrophobicContact CG2-CG 4.07Å; M306-L798 VanDerWaalsContact CA-CB 3.42Å; M306-L798 HydrophobicContact CB-CB 3.89Å; M306-L798 HydrophobicContact CB-CD2 3.82Å; M306-L798 HydrophobicContact CB-CG 4.49Å; M306-L798 HydrophobicContact CG-CB 4.37Å; M306-L798 HydrophobicContact CG-CD2 3.5Å; M306-L798 VanDerWaalsContact CG-CD2 3.5Å; M306-L798 CarbonylContact O-C 2.84Å; M306-L798 WeakPolarHBondContact O-CA 3.17Å; M306-L798 WeakPolarHBondContact O-CB 3.5Å; M306-L798 PolarHBondContact O-N 2.8Å; M306-L798 HydrophobicContact SD-CD2 3.95Å; P312-L798 CarbonylContact O-C 3.23Å; K313-L798 WeakPolarHBondContact O-CD1 3.28Å; K313-L798 WeakPolarHBondContact O-CG 3.34Å; I314-L798 HydrophobicContact CD1-CB 3.66Å; I314-L798 HydrophobicContact CD1-CD2 3.85Å; I314-L798 HydrophobicContact CD1-CG 3.95Å; I314-L798 HydrophobicContact CG1-CB 3.62Å; I314-L798 HydrophobicContact CG1-CD2 4.19Å; I314-L798 HydrophobicContact CG1-CG 3.79Å; G372-L798 VanDerWaalsContact CA-CD2 3.5Å; I373-L798 VanDerWaalsContact N-CD1 3.3Å | ||
| 799 | Y | 38.7 | Very low | 40 | Very low | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | trans | -89 | 122.6 | 165.4 | -89.4 | -59 | 0 | 0 | 0 | 111.9 | R210 M306 L311 P312 I314 H351 G352 L353 F801 P919 | R210-Y799 HydrophobicContact CB-CD1 4.26Å; R210-Y799 HydrophobicContact CB-CE1 3.7Å; R210-Y799 WeakPolarHBondContact CD-OH 3.14Å; R210-Y799 HydrophobicContact CG-CD1 3.84Å; R210-Y799 HydrophobicContact CG-CE1 3.27Å; R210-Y799 VanDerWaalsContact NE-CE1 3.29Å; R210-Y799 PolarHBondContact NE-OH 3.32Å; R210-Y799 PolarHBondContact NH1-OH 2.92Å; R210-Y799 VanDerWaalsContact NH2-CZ 3.33Å; R210-Y799 PolarHBondContact NH2-OH 3.28Å; M306-Y799 PolarHBondContact N-O 3.49Å; M306-Y799 CarbonylContact O-C 3.47Å; M306-Y799 PolarHBondContact O-N 2.83Å; L311-Y799 WeakPolarHBondContact CD1-OH 3.45Å; L311-Y799 WeakPolarHBondContact CG-OH 3.27Å; L311-Y799 PolarHBondContact O-OH 3.25Å; P312-Y799 WeakPolarHBondContact O-CE2 3.19Å; P312-Y799 VanDerWaalsContact O-CZ 3.3Å; P312-Y799 PolarHBondContact O-OH 3.2Å; I314-Y799 WeakPolarHBondContact CD1-O 3.43Å; I314-Y799 VanDerWaalsContact CG1-O 3.26Å; I314-Y799 WeakPolarHBondContact CG1-O 3.38Å; H351-Y799 HydrophobicContact CB-CD1 4.2Å; H351-Y799 HydrophobicContact CB-CG 4.45Å; H351-Y799 WeakPolarHBondContact O-CD2 3.43Å; H351-Y799 VanDerWaalsContact O-CG 3.27Å; G352-Y799 WeakPolarHBondContact O-CB 3.39Å; L353-Y799 HydrophobicContact CD1-CD1 4.1Å; L353-Y799 HydrophobicContact CD2-CD1 4.39Å; L353-Y799 HydrophobicContact CD2-CG 4.42Å; L353-Y799 HydrophobicContact CG-CD1 4.24Å; L353-Y799 HydrophobicContact CG-CG 4.34Å; Y799-F801 WeakPolarHBondContact O-CD2 3.19Å; Y799-F801 PolarHBondContact O-N 3.23Å; Y799-F801 VanDerWaalsContact O-N 3.14Å; Y799-P919 HydrophobicContact CD2-CB 4.45Å; Y799-P919 HydrophobicContact CE2-CB 4.5Å | ||
| 800 | W | 34.5 | Very low | 41.7 | Very low | 9 Ų | 9 | 26.1 Ų | 26.1 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -86.9 | 77.8 | -166.7 | -159 | -115.5 | 0 | 0 | 0 | 112.4 | T175 I213 L223 Q283 L285 I305 M306 Y307 | T175-W800 HydrophobicContact CG2-CZ2 3.6Å; I213-W800 WeakPolarHBondContact CD1-O 3.42Å; I213-W800 WeakPolarHBondContact CG2-O 3.38Å; L223-W800 HydrophobicContact CD1-CB 3.4Å; L223-W800 HydrophobicContact CD1-CG 3.76Å; L223-W800 HydrophobicContact CD2-CB 4.28Å; L223-W800 HydrophobicContact CD2-CD2 4.24Å; L223-W800 HydrophobicContact CD2-CG 3.69Å; L223-W800 HydrophobicContact CD2-CZ2 4.36Å; L223-W800 HydrophobicContact CG-CB 4.44Å; L223-W800 HydrophobicContact CG-CG 4.36Å; Q283-W800 WeakPolarHBondContact O-CZ3 3.43Å; L285-W800 HydrophobicContact CB-CZ2 4.46Å; L285-W800 HydrophobicContact CD1-CD2 4.35Å; L285-W800 HydrophobicContact CD1-CH2 3.89Å; L285-W800 HydrophobicContact CD1-CZ2 3.16Å; L285-W800 HydrophobicContact CD2-CH2 3.51Å; L285-W800 HydrophobicContact CD2-CZ2 3.69Å; L285-W800 HydrophobicContact CD2-CZ3 4.11Å; L285-W800 HydrophobicContact CG-CD2 4.12Å; L285-W800 VanDerWaalsContact CG-CE2 3.47Å; L285-W800 HydrophobicContact CG-CE3 4.07Å; L285-W800 HydrophobicContact CG-CH2 3.32Å; L285-W800 HydrophobicContact CG-CZ2 3.15Å; L285-W800 HydrophobicContact CG-CZ3 3.7Å; I305-W800 HydrophobicContact CB-CD2 4.41Å; I305-W800 HydrophobicContact CB-CE3 4.33Å; I305-W800 HydrophobicContact CB-CG 4.38Å; I305-W800 HydrophobicContact CD1-CB 4.28Å; I305-W800 HydrophobicContact CD1-CD2 3.68Å; I305-W800 HydrophobicContact CD1-CE3 4.36Å; I305-W800 HydrophobicContact CD1-CG 3.37Å; I305-W800 VanDerWaalsContact CG1-CA 3.48Å; I305-W800 HydrophobicContact CG1-CB 3.71Å; I305-W800 VanDerWaalsContact CG1-CD1 3.48Å; I305-W800 HydrophobicContact CG1-CD2 3.65Å; I305-W800 HydrophobicContact CG1-CE3 4.05Å; I305-W800 HydrophobicContact CG1-CG 3.24Å; I305-W800 WeakPolarHBondContact CG1-O 3.2Å; I305-W800 HydrophobicContact CG2-CD2 4.21Å; I305-W800 HydrophobicContact CG2-CE3 3.91Å; M306-W800 HydrophobicContact CB-CE3 4.25Å; M306-W800 HydrophobicContact CB-CZ3 4.39Å; M306-W800 WeakPolarHBondContact O-CA 3.26Å; M306-W800 PolarHBondContact O-N 2.85Å; M306-W800 VanDerWaalsContact O-N 3.14Å; Y307-W800 VanDerWaalsContact CA-CZ3 3.48Å; Y307-W800 AromaticContact CD1-CH2 3.72Å; Y307-W800 HydrophobicContact CD1-CH2 3.72Å; Y307-W800 AromaticContact CD1-CZ2 3.7Å; Y307-W800 HydrophobicContact CD1-CZ2 3.7Å; Y307-W800 HydrophobicContact CD1-CZ3 4.4Å; Y307-W800 HydrophobicContact CG-CD2 4.48Å; Y307-W800 HydrophobicContact CG-CH2 4.17Å; Y307-W800 HydrophobicContact CG-CZ2 4.24Å; Y307-W800 HydrophobicContact CG-CZ3 4.42Å |
| 801 | F | 42.2 | Very low | 43.3 | Very low | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -86.9 | 105 | 174 | 39.1 | 158.8 | 0 | 0 | 0 | 118.1 | I213 K303 C304 I305 I314 W316 L348 G352 L353 Y761 Y799 I885 I917 | I213-F801 HydrophobicContact CD1-CB 4.45Å; K303-F801 VanDerWaalsContact C-C 3.47Å; K303-F801 VanDerWaalsContact C-CD1 3.47Å; K303-F801 CarbonylContact C-O 3.59Å; K303-F801 HydrophobicContact CB-CB 3.43Å; K303-F801 VanDerWaalsContact CB-CB 3.43Å; K303-F801 HydrophobicContact CB-CD1 3.69Å; K303-F801 HydrophobicContact CB-CG 4.07Å; K303-F801 CarbonylContact O-C 3.45Å; K303-F801 VanDerWaalsContact O-C 3.25Å; C304-F801 CarbonylContact C-O 3.58Å; C304-F801 WeakPolarHBondContact CA-O 3.27Å; C304-F801 HydrophobicContact CB-CD2 4.24Å; C304-F801 HydrophobicContact CB-CE2 4.44Å; C304-F801 HydrophobicContact CB-CG 4.29Å; C304-F801 PolarHBondContact N-O 3.18Å; C304-F801 WeakPolarHBondContact O-CA 3.25Å; C304-F801 WeakPolarHBondContact O-CD2 3.38Å; C304-F801 WeakPolarHBondContact O-CG 3.01Å; C304-F801 PolarHBondContact O-N 3.3Å; I305-F801 VanDerWaalsContact CA-N 3.34Å; I305-F801 VanDerWaalsContact CA-O 3.22Å; I305-F801 WeakPolarHBondContact CA-O 3.41Å; I305-F801 VanDerWaalsContact CB-C 3.46Å; I305-F801 WeakPolarHBondContact CB-O 3.47Å; I305-F801 PolarHBondContact N-O 2.77Å; I314-F801 HydrophobicContact CB-CE2 3.86Å; I314-F801 HydrophobicContact CD1-CD2 3.95Å; I314-F801 HydrophobicContact CD1-CE2 3.72Å; I314-F801 HydrophobicContact CG1-CD2 4.32Å; I314-F801 HydrophobicContact CG1-CE2 3.8Å; I314-F801 HydrophobicContact CG2-CE2 3.88Å; I314-F801 HydrophobicContact CG2-CZ 4.47Å; W316-F801 AromaticContact CE2-CE1 3.65Å; W316-F801 AromaticContact CE2-CZ 3.48Å; W316-F801 VanDerWaalsContact CE2-CZ 3.48Å; W316-F801 HydrophobicContact CH2-CE1 4.22Å; W316-F801 HydrophobicContact CH2-CZ 4.37Å; W316-F801 AromaticContact CZ2-CD1 3.79Å; W316-F801 HydrophobicContact CZ2-CD1 3.79Å; W316-F801 AromaticContact CZ2-CE1 3.13Å; W316-F801 HydrophobicContact CZ2-CE1 3.13Å; W316-F801 HydrophobicContact CZ2-CE2 4.13Å; W316-F801 AromaticContact CZ2-CZ 3.3Å; W316-F801 HydrophobicContact CZ2-CZ 3.3Å; W316-F801 AromaticContact NE1-CE1 3.71Å; W316-F801 AromaticContact NE1-CZ 3.5Å; L348-F801 HydrophobicContact CD2-CE1 3.57Å; L348-F801 HydrophobicContact CD2-CZ 3.96Å; G352-F801 VanDerWaalsContact O-CD2 3.24Å; G352-F801 WeakPolarHBondContact O-CD2 3.05Å; G352-F801 WeakPolarHBondContact O-CE2 2.97Å; G352-F801 WeakPolarHBondContact O-CZ 3.01Å; L353-F801 VanDerWaalsContact CA-CG 3.48Å; L353-F801 HydrophobicContact CB-CB 3.96Å; L353-F801 HydrophobicContact CB-CD1 4.25Å; L353-F801 HydrophobicContact CB-CD2 4.45Å; L353-F801 HydrophobicContact CB-CG 4.05Å; L353-F801 HydrophobicContact CD2-CB 3.35Å; L353-F801 HydrophobicContact CD2-CD2 3.5Å; L353-F801 HydrophobicContact CD2-CE2 4.43Å; L353-F801 HydrophobicContact CD2-CG 3.6Å; L353-F801 HydrophobicContact CG-CB 4.3Å; L353-F801 HydrophobicContact CG-CD2 4.44Å; L353-F801 HydrophobicContact CG-CG 4.43Å; L353-F801 WeakPolarHBondContact O-CB 3.44Å; L353-F801 WeakPolarHBondContact O-CD1 3.31Å; L353-F801 WeakPolarHBondContact O-CG 3.28Å; Y761-F801 HydrophobicContact CE2-CB 4.15Å; Y799-F801 WeakPolarHBondContact O-CD2 3.19Å; Y799-F801 PolarHBondContact O-N 3.23Å; Y799-F801 VanDerWaalsContact O-N 3.14Å; F801-I885 HydrophobicContact CE1-CD1 4.47Å; F801-I917 HydrophobicContact CE2-CD1 3.97Å; F801-I917 HydrophobicContact CZ-CD1 3.53Å; F801-I917 HydrophobicContact CZ-CG1 4.17Å | ||
| 802 | N | 42.8 | Very low | 44.7 | Very low | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -51.9 | 162 | -165.3 | -85.1 | -50.7 | 0 | 0 | 0 | 126 | I213 D215 H221 Y286 K303 I305 T805 F806 | I213-N802 PolarHBondContact O-ND2 3.08Å; I213-N802 VanDerWaalsContact O-ND2 3.12Å; D215-N802 HydrophobicContact CB-CB 3.4Å; H221-N802 VanDerWaalsContact CD2-CG 3.44Å; H221-N802 PolarHBondContact CD2-ND2 2.93Å; H221-N802 PolarHBondContact CD2-OD1 2.99Å; H221-N802 PolarHBondContact CE1-OD1 2.81Å; H221-N802 VanDerWaalsContact CG-OD1 3.25Å; H221-N802 PolarHBondContact ND1-OD1 3.22Å; H221-N802 VanDerWaalsContact ND1-OD1 3.13Å; H221-N802 PolarHBondContact NE2-OD1 2.62Å; Y286-N802 HydrophobicContact CD1-CB 3.77Å; Y286-N802 VanDerWaalsContact CD1-OD1 3.28Å; Y286-N802 WeakPolarHBondContact CD1-OD1 3.18Å; Y286-N802 HydrophobicContact CE1-CB 4.46Å; Y286-N802 CarbonylContact O-C 3.42Å; K303-N802 CarbonylContact O-C 2.87Å; I305-N802 HydrophobicContact CD1-CB 4.28Å; I305-N802 WeakPolarHBondContact CD1-OD1 3.1Å; N802-T805 WeakPolarHBondContact CA-OG1 3.17Å; N802-T805 HydrophobicContact CB-CG2 3.83Å; N802-T805 WeakPolarHBondContact CB-OG1 2.86Å; N802-T805 PolarHBondContact N-OG1 2.84Å; N802-T805 CarbonylContact O-C 3.51Å; N802-T805 VanDerWaalsContact O-C 3.27Å; N802-T805 VanDerWaalsContact O-CA 3.23Å; N802-T805 WeakPolarHBondContact O-CA 2.94Å; N802-T805 WeakPolarHBondContact O-CB 3.36Å; N802-T805 PolarHBondContact O-N 3Å; N802-T805 PolarHBondContact O-OG1 2.89Å; N802-F806 PolarHBondContact O-N 2.92Å | ||
| 803 | Q | 51.9 | Low | 46.5 | Very low | 48 Ų | 48 | 15.1 Ų | 15.1 | 22% | 0.224 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27.7 | 175 | 176.8 | 109.9 | 33.9 | 0 | 0 | 116.9 | Y286 H287 S288 N807 | Y286-Q803 HydrophobicContact CD1-CB 3.42Å; Y286-Q803 VanDerWaalsContact CD1-CB 3.42Å; Y286-Q803 HydrophobicContact CD2-CB 3.15Å; Y286-Q803 HydrophobicContact CD2-CG 3.84Å; Y286-Q803 HydrophobicContact CE1-CB 3.59Å; Y286-Q803 HydrophobicContact CE2-CB 3.35Å; Y286-Q803 HydrophobicContact CE2-CG 3.67Å; Y286-Q803 HydrophobicContact CG-CB 3.09Å; Y286-Q803 HydrophobicContact CG-CG 4.26Å; Y286-Q803 PolarHBondContact O-N 3.36Å; H287-Q803 PolarHBondContact ND1-OE1 2.84Å; H287-Q803 VanDerWaalsContact O-CD 3.26Å; H287-Q803 PolarHBondContact O-NE2 3.01Å; H287-Q803 PolarHBondContact O-OE1 3.1Å; S288-Q803 VanDerWaalsContact CA-CD 3.48Å; S288-Q803 VanDerWaalsContact CA-O 3.24Å; S288-Q803 WeakPolarHBondContact CA-O 3.48Å; S288-Q803 WeakPolarHBondContact CB-O 3.39Å; S288-Q803 VanDerWaalsContact N-CG 3.31Å; S288-Q803 PolarHBondContact O-NE2 2.87Å; S288-Q803 VanDerWaalsContact OG-C 3.29Å; S288-Q803 PolarHBondContact OG-O 3.11Å; Q803-N807 PolarHBondContact O-OD1 3.44Å |
| 804 | T | 50.6 | Low | 48.1 | Very low | 6 Ų | 6 | 14.6 Ų | 14.6 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.8 | 160.1 | -5.8 | 0 | 0 | 0 | 0 | 107.7 | D215 D216 D217 Y286 F806 N807 I808 | D215-T804 WeakPolarHBondContact CB-OG1 3.15Å; D215-T804 VanDerWaalsContact CG-OG1 3.23Å; D215-T804 PolarHBondContact OD1-OG1 2.57Å; D216-T804 HydrophobicContact CB-CG2 4.17Å; D216-T804 VanDerWaalsContact CG-C 3.46Å; D216-T804 VanDerWaalsContact OD2-CG2 3.31Å; D216-T804 WeakPolarHBondContact OD2-CG2 3.43Å; D217-T804 HydrophobicContact CB-CG2 4.05Å; D217-T804 WeakPolarHBondContact CB-OG1 3.43Å; D217-T804 VanDerWaalsContact N-CB 3.28Å; D217-T804 VanDerWaalsContact N-CG2 3.35Å; D217-T804 PolarHBondContact N-OG1 2.68Å; D217-T804 WeakPolarHBondContact OD2-CB 3.17Å; D217-T804 WeakPolarHBondContact OD2-CG2 3.4Å; D217-T804 PolarHBondContact OD2-OG1 3.18Å; Y286-T804 WeakPolarHBondContact CE1-OG1 3.35Å; Y286-T804 PolarHBondContact OH-OG1 2.93Å; Y286-T804 VanDerWaalsContact OH-OG1 3.14Å; T804-F806 PolarHBondContact O-N 3.3Å; T804-N807 VanDerWaalsContact CG2-ND2 3.29Å; T804-N807 WeakPolarHBondContact CG2-ND2 3.22Å; T804-N807 CarbonylContact O-C 3.57Å; T804-N807 WeakPolarHBondContact O-CA 2.82Å; T804-N807 WeakPolarHBondContact O-CB 3.34Å; T804-N807 PolarHBondContact O-N 2.76Å; T804-N807 PolarHBondContact O-OD1 3.17Å; T804-N807 VanDerWaalsContact O-OD1 3.1Å; T804-I808 PolarHBondContact O-N 3.25Å |
| 805 | T | 54 | Low | 49.5 | Very low | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -75.4 | -26.6 | -173.2 | 105.3 | 0 | 0 | 0 | 0 | 112.3 | I214 D215 D216 I302 K303 Y761 N802 N807 I808 | I214-T805 WeakPolarHBondContact O-CG2 3.22Å; D215-T805 VanDerWaalsContact CA-CG2 3.47Å; D215-T805 HydrophobicContact CB-CG2 4.11Å; D216-T805 VanDerWaalsContact OD1-CA 3.23Å; D216-T805 WeakPolarHBondContact OD1-CA 3.08Å; D216-T805 PolarHBondContact OD1-N 3.28Å; I302-T805 CarbonylContact C-O 3.33Å; I302-T805 WeakPolarHBondContact CA-O 3.34Å; I302-T805 PolarHBondContact N-O 2.94Å; K303-T805 HydrophobicContact CB-CG2 4.11Å; K303-T805 WeakPolarHBondContact CB-OG1 3.1Å; K303-T805 HydrophobicContact CD-CG2 3.27Å; K303-T805 WeakPolarHBondContact CD-O 3.36Å; K303-T805 VanDerWaalsContact CE-CG2 3.49Å; K303-T805 HydrophobicContact CG-CG2 3.86Å; K303-T805 PolarHBondContact N-O 3.07Å; K303-T805 CarbonylContact O-C 3.46Å; K303-T805 PolarHBondContact O-OG1 2.8Å; Y761-T805 HydrophobicContact CE1-CG2 3.99Å; Y761-T805 HydrophobicContact CE2-CG2 4.42Å; Y761-T805 WeakPolarHBondContact OH-CG2 3.47Å; N802-T805 WeakPolarHBondContact CA-OG1 3.17Å; N802-T805 HydrophobicContact CB-CG2 3.83Å; N802-T805 WeakPolarHBondContact CB-OG1 2.86Å; N802-T805 PolarHBondContact N-OG1 2.84Å; N802-T805 CarbonylContact O-C 3.51Å; N802-T805 VanDerWaalsContact O-C 3.27Å; N802-T805 VanDerWaalsContact O-CA 3.23Å; N802-T805 WeakPolarHBondContact O-CA 2.94Å; N802-T805 WeakPolarHBondContact O-CB 3.36Å; N802-T805 PolarHBondContact O-N 3Å; N802-T805 PolarHBondContact O-OG1 2.89Å; T805-N807 CarbonylContact O-C 3.51Å; T805-N807 PolarHBondContact O-N 2.77Å; T805-I808 PolarHBondContact O-N 3.41Å |
| 806 | F | 55.4 | Low | 50.8 | Low | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -67.4 | 17.3 | 154.9 | -166.8 | -60.6 | 0 | 0 | 0 | 112.8 | S288 Q292 S301 I302 K303 C304 W316 Y368 F388 N802 T804 Q810 | S288-F806 WeakPolarHBondContact OG-CA 2.93Å; S288-F806 WeakPolarHBondContact OG-CB 3.39Å; S288-F806 PolarHBondContact OG-N 3.44Å; S288-F806 PolarHBondContact OG-O 3.14Å; Q292-F806 PolarHBondContact NE2-O 3.34Å; S301-F806 CarbonylContact C-O 3.56Å; S301-F806 CarbonylContact O-C 3.58Å; I302-F806 VanDerWaalsContact CA-CA 3.43Å; I302-F806 HydrophobicContact CB-CB 3.87Å; I302-F806 HydrophobicContact CB-CD1 3.96Å; I302-F806 HydrophobicContact CB-CD2 3.22Å; I302-F806 HydrophobicContact CB-CE1 4.18Å; I302-F806 HydrophobicContact CB-CE2 3.46Å; I302-F806 VanDerWaalsContact CB-CE2 3.46Å; I302-F806 HydrophobicContact CB-CG 3.42Å; I302-F806 VanDerWaalsContact CB-CG 3.42Å; I302-F806 HydrophobicContact CB-CZ 3.87Å; I302-F806 HydrophobicContact CD1-CD2 3.71Å; I302-F806 HydrophobicContact CD1-CE2 3.39Å; I302-F806 HydrophobicContact CD1-CZ 4.29Å; I302-F806 HydrophobicContact CG1-CB 4.44Å; I302-F806 HydrophobicContact CG1-CD2 3.28Å; I302-F806 HydrophobicContact CG1-CE2 3.46Å; I302-F806 VanDerWaalsContact CG1-CE2 3.46Å; I302-F806 HydrophobicContact CG1-CG 4.01Å; I302-F806 HydrophobicContact CG1-CZ 4.32Å; I302-F806 HydrophobicContact CG2-CD1 4.41Å; I302-F806 HydrophobicContact CG2-CD2 3.9Å; I302-F806 HydrophobicContact CG2-CE1 4.15Å; I302-F806 HydrophobicContact CG2-CE2 3.56Å; I302-F806 HydrophobicContact CG2-CG 4.25Å; I302-F806 HydrophobicContact CG2-CZ 3.61Å; I302-F806 PolarHBondContact N-O 3.13Å; K303-F806 WeakPolarHBondContact O-CA 3.5Å; K303-F806 WeakPolarHBondContact O-CB 3.36Å; K303-F806 PolarHBondContact O-N 3.16Å; C304-F806 HydrophobicContact CB-CD2 4.46Å; W316-F806 AromaticContact CH2-CD2 3.66Å; W316-F806 HydrophobicContact CH2-CD2 3.66Å; W316-F806 AromaticContact CH2-CE2 3.59Å; W316-F806 HydrophobicContact CH2-CE2 3.59Å; W316-F806 HydrophobicContact CZ3-CD2 4.05Å; W316-F806 AromaticContact CZ3-CE2 3.56Å; W316-F806 HydrophobicContact CZ3-CE2 3.56Å; Y368-F806 AromaticContact CD2-CE2 3.52Å; Y368-F806 HydrophobicContact CD2-CE2 3.52Å; Y368-F806 AromaticContact CD2-CZ 3.28Å; Y368-F806 HydrophobicContact CD2-CZ 3.28Å; Y368-F806 HydrophobicContact CE2-CE2 4.47Å; Y368-F806 HydrophobicContact CE2-CZ 4.17Å; Y368-F806 HydrophobicContact CG-CE2 4.14Å; Y368-F806 AromaticContact CG-CZ 3.66Å; Y368-F806 HydrophobicContact CG-CZ 3.66Å; F388-F806 HydrophobicContact CB-CD1 4.4Å; F388-F806 HydrophobicContact CB-CE1 3.43Å; F388-F806 VanDerWaalsContact CB-CE1 3.43Å; F388-F806 HydrophobicContact CB-CE2 4Å; F388-F806 HydrophobicContact CB-CZ 3.27Å; F388-F806 AromaticContact CD1-CD1 3.53Å; F388-F806 HydrophobicContact CD1-CD1 3.53Å; F388-F806 HydrophobicContact CD1-CD2 4.37Å; F388-F806 AromaticContact CD1-CE1 3.4Å; F388-F806 HydrophobicContact CD1-CE1 3.4Å; F388-F806 HydrophobicContact CD1-CE2 4.31Å; F388-F806 HydrophobicContact CD1-CG 4.09Å; F388-F806 AromaticContact CD1-CZ 3.92Å; F388-F806 HydrophobicContact CD1-CZ 3.92Å; F388-F806 AromaticContact CD2-CD1 3.88Å; F388-F806 HydrophobicContact CD2-CD1 3.88Å; F388-F806 AromaticContact CD2-CD2 3.28Å; F388-F806 HydrophobicContact CD2-CD2 3.28Å; F388-F806 AromaticContact CD2-CE1 3.53Å; F388-F806 HydrophobicContact CD2-CE1 3.53Å; F388-F806 AromaticContact CD2-CE2 2.91Å; F388-F806 HydrophobicContact CD2-CE2 2.91Å; F388-F806 AromaticContact CD2-CG 3.83Å; F388-F806 HydrophobicContact CD2-CG 3.83Å; F388-F806 AromaticContact CD2-CZ 3.14Å; F388-F806 HydrophobicContact CD2-CZ 3.14Å; F388-F806 HydrophobicContact CE1-CB 4.42Å; F388-F806 AromaticContact CE1-CD1 3.62Å; F388-F806 HydrophobicContact CE1-CD1 3.62Å; F388-F806 HydrophobicContact CE1-CD2 4.23Å; F388-F806 AromaticContact CE1-CE1 3.99Å; F388-F806 HydrophobicContact CE1-CE1 3.99Å; F388-F806 AromaticContact CE1-CG 3.82Å; F388-F806 HydrophobicContact CE1-CG 3.82Å; F388-F806 HydrophobicContact CE2-CB 4.27Å; F388-F806 AromaticContact CE2-CD1 3.91Å; F388-F806 HydrophobicContact CE2-CD1 3.91Å; F388-F806 AromaticContact CE2-CD2 3.02Å; F388-F806 HydrophobicContact CE2-CD2 3.02Å; F388-F806 HydrophobicContact CE2-CE1 4.05Å; F388-F806 AromaticContact CE2-CE2 3.25Å; F388-F806 HydrophobicContact CE2-CE2 3.25Å; F388-F806 AromaticContact CE2-CG 3.47Å; F388-F806 HydrophobicContact CE2-CG 3.47Å; F388-F806 VanDerWaalsContact CE2-CG 3.47Å; F388-F806 AromaticContact CE2-CZ 3.84Å; F388-F806 HydrophobicContact CE2-CZ 3.84Å; F388-F806 AromaticContact CG-CD1 3.71Å; F388-F806 HydrophobicContact CG-CD1 3.71Å; F388-F806 AromaticContact CG-CD2 3.99Å; F388-F806 HydrophobicContact CG-CD2 3.99Å; F388-F806 AromaticContact CG-CE1 3.18Å; F388-F806 HydrophobicContact CG-CE1 3.18Å; F388-F806 AromaticContact CG-CE2 3.54Å; F388-F806 HydrophobicContact CG-CE2 3.54Å; F388-F806 HydrophobicContact CG-CG 4.14Å; F388-F806 AromaticContact CG-CZ 3.19Å; F388-F806 HydrophobicContact CG-CZ 3.19Å; F388-F806 HydrophobicContact CZ-CB 3.96Å; F388-F806 AromaticContact CZ-CD1 3.8Å; F388-F806 HydrophobicContact CZ-CD1 3.8Å; F388-F806 AromaticContact CZ-CD2 3.57Å; F388-F806 HydrophobicContact CZ-CD2 3.57Å; F388-F806 HydrophobicContact CZ-CE1 4.28Å; F388-F806 HydrophobicContact CZ-CE2 4.12Å; F388-F806 AromaticContact CZ-CG 3.48Å; F388-F806 HydrophobicContact CZ-CG 3.48Å; F388-F806 VanDerWaalsContact CZ-CG 3.48Å; N802-F806 PolarHBondContact O-N 2.92Å; T804-F806 PolarHBondContact O-N 3.3Å; F806-Q810 HydrophobicContact CD1-CB 3.83Å; F806-Q810 HydrophobicContact CD1-CG 3.92Å; F806-Q810 HydrophobicContact CE1-CB 3.61Å; F806-Q810 HydrophobicContact CE1-CG 3.27Å; F806-Q810 HydrophobicContact CZ-CB 4.18Å; F806-Q810 HydrophobicContact CZ-CG 3.92Å; F806-Q810 VanDerWaalsContact CZ-NE2 3.31Å; F806-Q810 VanDerWaalsContact CZ-OE1 3.28Å; F806-Q810 WeakPolarHBondContact O-CB 3.4Å |
| 807 | N | 57.3 | Low | 52.2 | Low | 34 Ų | 34 | 13.1 Ų | 13.1 | 18% | 0.182 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -127.3 | 14.3 | 160.9 | 5.4 | -26.9 | 0 | 0 | 0 | 115.3 | D216 S288 P289 S301 Q803 T804 T805 | D216-N807 VanDerWaalsContact CG-O 3.3Å; D216-N807 WeakPolarHBondContact OD2-CA 3.28Å; D216-N807 WeakPolarHBondContact OD2-CB 3.33Å; S288-N807 WeakPolarHBondContact CB-OD1 3.27Å; S288-N807 PolarHBondContact OG-OD1 2.81Å; P289-N807 WeakPolarHBondContact CD-OD1 2.81Å; S301-N807 VanDerWaalsContact CA-O 3.27Å; S301-N807 WeakPolarHBondContact CA-O 3.16Å; S301-N807 WeakPolarHBondContact CB-O 3.46Å; S301-N807 CarbonylContact O-C 3.49Å; S301-N807 VanDerWaalsContact O-C 3.31Å; S301-N807 WeakPolarHBondContact O-CA 3.31Å; S301-N807 PolarHBondContact O-N 3.42Å; S301-N807 VanDerWaalsContact O-N 3.11Å; S301-N807 PolarHBondContact OG-O 3.08Å; Q803-N807 PolarHBondContact O-OD1 3.44Å; T804-N807 VanDerWaalsContact CG2-ND2 3.29Å; T804-N807 WeakPolarHBondContact CG2-ND2 3.22Å; T804-N807 CarbonylContact O-C 3.57Å; T804-N807 WeakPolarHBondContact O-CA 2.82Å; T804-N807 WeakPolarHBondContact O-CB 3.34Å; T804-N807 PolarHBondContact O-N 2.76Å; T804-N807 PolarHBondContact O-OD1 3.17Å; T804-N807 VanDerWaalsContact O-OD1 3.1Å; T805-N807 CarbonylContact O-C 3.51Å; T805-N807 PolarHBondContact O-N 2.77Å |
| 808 | I | 56.3 | Low | 53.4 | Low | 66 Ų | 66 | 13.3 Ų | 13.3 | 34% | 0.338 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -5.5 | 155.7 | -82.8 | 178.6 | 0 | 0 | 0 | 119.7 | D216 L300 S301 K303 E354 T804 T805 | D216-I808 HydrophobicContact CB-CD1 3.47Å; D216-I808 VanDerWaalsContact CB-CD1 3.47Å; D216-I808 HydrophobicContact CB-CG1 3.67Å; D216-I808 VanDerWaalsContact CG-CG1 3.43Å; D216-I808 WeakPolarHBondContact OD1-CB 2.93Å; D216-I808 WeakPolarHBondContact OD1-CG1 3.37Å; D216-I808 PolarHBondContact OD1-N 2.89Å; L300-I808 CarbonylContact C-O 3.55Å; L300-I808 CarbonylContact O-C 3.6Å; S301-I808 VanDerWaalsContact C-C 3.42Å; S301-I808 WeakPolarHBondContact CA-O 3.13Å; S301-I808 PolarHBondContact N-O 2.79Å; K303-I808 HydrophobicContact CD-CB 3.91Å; K303-I808 HydrophobicContact CD-CG2 4Å; E354-I808 WeakPolarHBondContact OE1-CG2 3.38Å; T804-I808 PolarHBondContact O-N 3.25Å; T805-I808 PolarHBondContact O-N 3.41Å |
| 809 | A | 57.9 | Low | 54.3 | Low | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -133.7 | 27.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 132.5 | L300 S301 I302 E354 L355 I813 | L300-A809 HydrophobicContact CB-CB 4.19Å; L300-A809 WeakPolarHBondContact CB-O 3.47Å; L300-A809 WeakPolarHBondContact CD2-O 3.1Å; L300-A809 WeakPolarHBondContact CG-O 3.33Å; S301-A809 VanDerWaalsContact N-N 3.16Å; I302-A809 VanDerWaalsContact CA-CB 3.4Å; I302-A809 VanDerWaalsContact CB-C 3.45Å; I302-A809 HydrophobicContact CB-CB 4.25Å; I302-A809 HydrophobicContact CG2-CB 4.44Å; I302-A809 WeakPolarHBondContact CG2-O 3.33Å; I302-A809 WeakPolarHBondContact O-CA 3.47Å; I302-A809 WeakPolarHBondContact O-CB 3.49Å; I302-A809 PolarHBondContact O-N 3.28Å; I302-A809 VanDerWaalsContact O-N 3.13Å; E354-A809 HydrophobicContact CG-CB 3.77Å; E354-A809 WeakPolarHBondContact OE1-CB 3.32Å; E354-A809 PolarHBondContact OE1-N 2.81Å; L355-A809 VanDerWaalsContact CA-CB 3.46Å; L355-A809 HydrophobicContact CB-CB 3.78Å; L355-A809 VanDerWaalsContact O-CB 3.3Å; L355-A809 WeakPolarHBondContact O-CB 2.88Å; A809-I813 VanDerWaalsContact O-CD1 3.26Å; A809-I813 WeakPolarHBondContact O-CD1 3.33Å; A809-I813 WeakPolarHBondContact O-CG1 2.98Å |
| 810 | Q | 61.5 | Low | 55.3 | Low | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -109.7 | -24.9 | 169.3 | -162.2 | 74.5 | -22.3 | 0 | 0 | 117.2 | S290 Q292 L300 S301 I302 Y368 N389 V390 F806 Q814 | S290-Q810 PolarHBondContact O-NE2 3.46Å; Q292-Q810 HydrophobicContact CB-CG 3.92Å; Q292-Q810 WeakPolarHBondContact CB-O 3.46Å; Q292-Q810 VanDerWaalsContact CD-CB 3.47Å; Q292-Q810 VanDerWaalsContact CD-CG 3.49Å; Q292-Q810 HydrophobicContact CG-CB 4.19Å; Q292-Q810 HydrophobicContact CG-CG 3.66Å; Q292-Q810 VanDerWaalsContact OE1-C 3.29Å; L300-Q810 WeakPolarHBondContact CD1-O 3.13Å; L300-Q810 HydrophobicContact CD2-CB 4.36Å; L300-Q810 WeakPolarHBondContact CD2-O 3.46Å; S301-Q810 CarbonylContact O-C 3.1Å; S301-Q810 WeakPolarHBondContact O-CA 3.31Å; S301-Q810 WeakPolarHBondContact O-CB 3.45Å; S301-Q810 PolarHBondContact O-N 2.88Å; I302-Q810 HydrophobicContact CB-CB 3.86Å; I302-Q810 VanDerWaalsContact CG2-CA 3.43Å; I302-Q810 HydrophobicContact CG2-CB 3.45Å; I302-Q810 VanDerWaalsContact CG2-CB 3.45Å; I302-Q810 HydrophobicContact CG2-CG 4.3Å; Y368-Q810 VanDerWaalsContact CZ-OE1 3.32Å; N389-Q810 VanDerWaalsContact N-NE2 3.15Å; V390-Q810 HydrophobicContact CG1-CG 4.3Å; V390-Q810 WeakPolarHBondContact CG1-O 3.38Å; F806-Q810 HydrophobicContact CD1-CB 3.83Å; F806-Q810 HydrophobicContact CD1-CG 3.92Å; F806-Q810 HydrophobicContact CE1-CB 3.61Å; F806-Q810 HydrophobicContact CE1-CG 3.27Å; F806-Q810 HydrophobicContact CZ-CB 4.18Å; F806-Q810 HydrophobicContact CZ-CG 3.92Å; F806-Q810 VanDerWaalsContact CZ-NE2 3.31Å; F806-Q810 VanDerWaalsContact CZ-OE1 3.28Å; F806-Q810 WeakPolarHBondContact O-CB 3.4Å; Q810-Q814 WeakPolarHBondContact O-CG 3.37Å; Q810-Q814 PolarHBondContact O-OE1 2.73Å |
| 811 | S | 61 | Low | 56.5 | Low | 34 Ų | 34 | 25.2 Ų | 25.2 | 24% | 0.238 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -96.7 | -13 | 169.7 | 111.8 | 0 | 0 | 0 | 0 | 119.6 | V294 S301 Q814 | V294-S811 WeakPolarHBondContact CG2-O 3.03Å; S301-S811 WeakPolarHBondContact CB-OG 3.16Å; S301-S811 VanDerWaalsContact N-N 3.12Å; S301-S811 PolarHBondContact O-N 2.9Å; S301-S811 PolarHBondContact OG-OG 3.07Å; S811-Q814 VanDerWaalsContact CA-OE1 3.28Å |
| 812 | M | 58.8 | Low | 57.6 | Low | 51 Ų | 51 | 27.1 Ų | 27.1 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 0 | 169.7 | -53.9 | -179.6 | -70.6 | 0 | 0 | 129.6 | S299 L300 S301 Q815 S816 | S299-M812 CarbonylContact C-O 3.07Å; S299-M812 WeakPolarHBondContact CA-O 3.49Å; S299-M812 PolarHBondContact N-O 2.72Å; S299-M812 WeakPolarHBondContact O-CB 3.3Å; S299-M812 WeakPolarHBondContact O-CE 3.29Å; L300-M812 VanDerWaalsContact C-CB 3.43Å; L300-M812 VanDerWaalsContact CA-CB 3.43Å; L300-M812 VanDerWaalsContact CA-N 3.25Å; L300-M812 HydrophobicContact CB-CB 4.24Å; L300-M812 VanDerWaalsContact CB-N 3.27Å; L300-M812 VanDerWaalsContact CG-C 3.44Å; L300-M812 PolarHBondContact N-O 2.94Å; L300-M812 WeakPolarHBondContact O-CB 3.33Å; L300-M812 WeakPolarHBondContact O-CE 3.43Å; S301-M812 VanDerWaalsContact N-N 3.1Å; M812-Q815 VanDerWaalsContact C-C 3.48Å; M812-Q815 VanDerWaalsContact C-N 3.31Å; M812-Q815 HydrophobicContact CB-CB 3.27Å; M812-Q815 HydrophobicContact CB-CG 4.2Å; M812-Q815 HydrophobicContact CG-CB 3.5Å; M812-Q815 HydrophobicContact CG-CG 4.08Å; M812-Q815 CarbonylContact O-C 3.09Å; M812-Q815 WeakPolarHBondContact O-CA 3.49Å; M812-Q815 WeakPolarHBondContact O-CB 3.4Å; M812-Q815 PolarHBondContact O-N 2.86Å; M812-Q815 PolarHBondContact SD-NE2 2.91Å; M812-Q815 PolarHBondContact SD-OE1 2.87Å; M812-S816 WeakPolarHBondContact O-CB 3.41Å; M812-S816 PolarHBondContact O-N 3.36Å; M812-S816 PolarHBondContact O-OG 3.22Å |
| 813 | I | 64.2 | Low | 58.8 | Low | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 9.8 | 0 | 36 | 137.5 | 0 | 0 | 0 | 116.6 | L300 L355 I357 V360 H364 Y368 A809 S816 I817 | L300-I813 VanDerWaalsContact CB-CA 3.42Å; L300-I813 HydrophobicContact CB-CB 3.59Å; L300-I813 HydrophobicContact CB-CD1 4.26Å; L300-I813 HydrophobicContact CB-CG1 3.18Å; L300-I813 HydrophobicContact CD1-CB 3.69Å; L300-I813 HydrophobicContact CD1-CG1 4.15Å; L300-I813 HydrophobicContact CD1-CG2 4.45Å; L300-I813 WeakPolarHBondContact CD1-O 3.28Å; L300-I813 VanDerWaalsContact CD2-CA 3.41Å; L300-I813 HydrophobicContact CD2-CB 3.15Å; L300-I813 HydrophobicContact CD2-CD1 3.17Å; L300-I813 HydrophobicContact CD2-CG1 2.95Å; L300-I813 HydrophobicContact CD2-CG2 3.61Å; L300-I813 HydrophobicContact CG-CB 3.43Å; L300-I813 VanDerWaalsContact CG-CB 3.43Å; L300-I813 HydrophobicContact CG-CD1 4.06Å; L300-I813 HydrophobicContact CG-CG1 3.3Å; L300-I813 HydrophobicContact CG-CG2 4.42Å; L355-I813 HydrophobicContact CB-CD1 3.77Å; L355-I813 HydrophobicContact CD1-CD1 3.22Å; L355-I813 HydrophobicContact CD2-CD1 3.39Å; L355-I813 HydrophobicContact CD2-CG1 4.32Å; L355-I813 HydrophobicContact CG-CD1 3.45Å; L355-I813 VanDerWaalsContact CG-CD1 3.45Å; L355-I813 VanDerWaalsContact O-CD1 3.29Å; L355-I813 WeakPolarHBondContact O-CD1 3.47Å; L355-I813 VanDerWaalsContact O-CG1 3.27Å; L355-I813 WeakPolarHBondContact O-CG1 3.19Å; I357-I813 HydrophobicContact CB-CB 3.94Å; I357-I813 HydrophobicContact CB-CG1 3.66Å; I357-I813 HydrophobicContact CD1-CB 3.82Å; I357-I813 HydrophobicContact CD1-CD1 3.53Å; I357-I813 HydrophobicContact CD1-CG1 3.41Å; I357-I813 VanDerWaalsContact CD1-CG1 3.41Å; I357-I813 HydrophobicContact CD1-CG2 3.9Å; I357-I813 HydrophobicContact CG1-CB 4.22Å; I357-I813 HydrophobicContact CG1-CD1 4.05Å; I357-I813 HydrophobicContact CG1-CG1 3.59Å; V360-I813 HydrophobicContact CB-CB 4Å; V360-I813 HydrophobicContact CB-CG2 4.07Å; V360-I813 HydrophobicContact CG1-CB 4.26Å; V360-I813 HydrophobicContact CG1-CG2 3.81Å; V360-I813 HydrophobicContact CG2-CB 3.27Å; V360-I813 HydrophobicContact CG2-CG1 4.22Å; V360-I813 HydrophobicContact CG2-CG2 3.35Å; H364-I813 HydrophobicContact CB-CG2 3.94Å; Y368-I813 VanDerWaalsContact OH-CD1 3.32Å; Y368-I813 WeakPolarHBondContact OH-CD1 3.46Å; A809-I813 VanDerWaalsContact O-CD1 3.26Å; A809-I813 WeakPolarHBondContact O-CD1 3.33Å; A809-I813 WeakPolarHBondContact O-CG1 2.98Å; I813-S816 WeakPolarHBondContact CA-OG 3.44Å; I813-S816 PolarHBondContact N-OG 3.44Å; I813-I817 VanDerWaalsContact C-CD1 3.48Å; I813-I817 WeakPolarHBondContact O-CD1 3.47Å | |
| 814 | Q | 62.3 | Low | 59.3 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -163.4 | -73.3 | -159.2 | -93.6 | -145.1 | -79.3 | 0 | 0 | 95.4 | Q292 V294 L300 V390 T391 Q810 S811 S816 I817 I818 L908 | Q292-Q814 PolarHBondContact O-NE2 2.69Å; Q292-Q814 PolarHBondContact O-OE1 3.46Å; V294-Q814 HydrophobicContact CB-CB 3.45Å; V294-Q814 VanDerWaalsContact CB-CB 3.45Å; V294-Q814 HydrophobicContact CB-CG 4.24Å; V294-Q814 VanDerWaalsContact CG1-CA 3.44Å; V294-Q814 HydrophobicContact CG1-CB 3.37Å; V294-Q814 HydrophobicContact CG1-CG 4.09Å; V294-Q814 WeakPolarHBondContact CG1-O 3.26Å; V294-Q814 VanDerWaalsContact CG2-C 3.5Å; V294-Q814 HydrophobicContact CG2-CB 3.53Å; L300-Q814 HydrophobicContact CD1-CB 3.03Å; L300-Q814 HydrophobicContact CD1-CG 3.23Å; L300-Q814 HydrophobicContact CD2-CG 4.49Å; V390-Q814 HydrophobicContact CG1-CG 3.49Å; V390-Q814 VanDerWaalsContact CG1-CG 3.49Å; T391-Q814 WeakPolarHBondContact O-CG 3.48Å; T391-Q814 PolarHBondContact O-NE2 2.64Å; Q810-Q814 WeakPolarHBondContact O-CG 3.37Å; Q810-Q814 PolarHBondContact O-OE1 2.73Å; S811-Q814 VanDerWaalsContact CA-OE1 3.28Å; Q814-S816 PolarHBondContact O-N 2.92Å; Q814-I817 VanDerWaalsContact CA-CD1 3.41Å; Q814-I817 WeakPolarHBondContact O-CD1 3.49Å; Q814-I817 PolarHBondContact O-N 2.85Å; Q814-I818 VanDerWaalsContact O-CB 3.22Å; Q814-I818 WeakPolarHBondContact O-CB 3.43Å; Q814-I818 WeakPolarHBondContact O-CD1 3.37Å; Q814-I818 WeakPolarHBondContact O-CG1 2.99Å; Q814-I818 WeakPolarHBondContact O-CG2 3.3Å; Q814-L908 HydrophobicContact CG-CD2 4.04Å |
| 815 | Q | 59.5 | Low | 60.1 | Low | 24 Ų | 24 | 33.6 Ų | 33.6 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 15.3 | 161.8 | -150.4 | -151.8 | 68.9 | 0 | 0 | 111.4 | V294 L295 N297 Q298 S299 M812 I818 | V294-Q815 VanDerWaalsContact CG2-CA 3.47Å; V294-Q815 HydrophobicContact CG2-CB 3.48Å; V294-Q815 VanDerWaalsContact CG2-CB 3.48Å; V294-Q815 HydrophobicContact CG2-CG 4.21Å; L295-Q815 HydrophobicContact CB-CG 4.37Å; N297-Q815 CarbonylContact C-O 3.49Å; Q298-Q815 CarbonylContact C-O 3.45Å; Q298-Q815 VanDerWaalsContact C-OE1 3.23Å; Q298-Q815 WeakPolarHBondContact CA-O 3.35Å; Q298-Q815 PolarHBondContact N-O 3.16Å; Q298-Q815 VanDerWaalsContact NE2-OE1 3.11Å; Q298-Q815 VanDerWaalsContact O-O 3.07Å; S299-Q815 PolarHBondContact N-O 2.89Å; M812-Q815 VanDerWaalsContact C-C 3.48Å; M812-Q815 VanDerWaalsContact C-N 3.31Å; M812-Q815 HydrophobicContact CB-CB 3.27Å; M812-Q815 HydrophobicContact CB-CG 4.2Å; M812-Q815 HydrophobicContact CG-CB 3.5Å; M812-Q815 HydrophobicContact CG-CG 4.08Å; M812-Q815 CarbonylContact O-C 3.09Å; M812-Q815 WeakPolarHBondContact O-CA 3.49Å; M812-Q815 WeakPolarHBondContact O-CB 3.4Å; M812-Q815 PolarHBondContact O-N 2.86Å; M812-Q815 PolarHBondContact SD-NE2 2.91Å; M812-Q815 PolarHBondContact SD-OE1 2.87Å; Q815-I818 VanDerWaalsContact CA-CG2 3.41Å; Q815-I818 WeakPolarHBondContact O-CG2 3.15Å |
| 816 | S | 58.5 | Low | 60.3 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -23 | 171 | 75.7 | 0 | 0 | 0 | 0 | 116.7 | Q298 I357 T359 V360 M812 I813 Q814 I818 N819 | Q298-S816 WeakPolarHBondContact O-CB 3.15Å; I357-S816 WeakPolarHBondContact CG2-OG 3.19Å; I357-S816 PolarHBondContact O-OG 3.13Å; T359-S816 CarbonylContact C-O 3.09Å; V360-S816 VanDerWaalsContact C-C 3.48Å; V360-S816 CarbonylContact C-O 3.39Å; V360-S816 VanDerWaalsContact CA-C 3.44Å; V360-S816 VanDerWaalsContact CB-C 3.42Å; V360-S816 WeakPolarHBondContact CB-OG 3.37Å; V360-S816 WeakPolarHBondContact CG2-OG 3.34Å; V360-S816 PolarHBondContact N-O 3.16Å; V360-S816 VanDerWaalsContact N-O 3.11Å; V360-S816 PolarHBondContact N-OG 2.69Å; V360-S816 CarbonylContact O-C 2.91Å; M812-S816 WeakPolarHBondContact O-CB 3.41Å; M812-S816 PolarHBondContact O-N 3.36Å; M812-S816 PolarHBondContact O-OG 3.22Å; I813-S816 WeakPolarHBondContact CA-OG 3.44Å; I813-S816 PolarHBondContact N-OG 3.44Å; Q814-S816 PolarHBondContact O-N 2.92Å; S816-I818 CarbonylContact O-C 3.14Å; S816-I818 WeakPolarHBondContact O-CA 2.98Å; S816-I818 PolarHBondContact O-N 2.99Å; S816-N819 PolarHBondContact O-N 2.94Å |
| 817 | I | 59.9 | Low | 60.6 | Low | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -24 | -70.4 | 163.3 | -72.7 | 91.7 | 0 | 0 | 0 | 118.9 | V360 Q361 M362 V392 I813 Q814 N820 L908 | V360-I817 VanDerWaalsContact C-N 3.34Å; V360-I817 HydrophobicContact CB-CD1 4.48Å; V360-I817 HydrophobicContact CB-CG1 4.49Å; V360-I817 HydrophobicContact CG1-CB 4Å; V360-I817 HydrophobicContact CG1-CD1 3.41Å; V360-I817 VanDerWaalsContact CG1-CD1 3.41Å; V360-I817 HydrophobicContact CG1-CG1 3.35Å; V360-I817 VanDerWaalsContact CG1-N 3.32Å; V360-I817 CarbonylContact O-C 3.21Å; V360-I817 WeakPolarHBondContact O-CA 3.4Å; V360-I817 PolarHBondContact O-N 2.87Å; Q361-I817 WeakPolarHBondContact CA-O 3.1Å; Q361-I817 WeakPolarHBondContact O-CG1 3.39Å; M362-I817 HydrophobicContact CB-CG2 4.39Å; M362-I817 HydrophobicContact CG-CG2 3.64Å; M362-I817 HydrophobicContact SD-CG2 3.33Å; M362-I817 WeakPolarHBondContact SD-CG2 3.14Å; V392-I817 HydrophobicContact CG2-CB 4.13Å; V392-I817 HydrophobicContact CG2-CD1 3.45Å; V392-I817 VanDerWaalsContact CG2-CD1 3.45Å; V392-I817 HydrophobicContact CG2-CG1 3.28Å; V392-I817 HydrophobicContact CG2-CG2 3.93Å; I813-I817 VanDerWaalsContact C-CD1 3.48Å; I813-I817 WeakPolarHBondContact O-CD1 3.47Å; Q814-I817 VanDerWaalsContact CA-CD1 3.41Å; Q814-I817 WeakPolarHBondContact O-CD1 3.49Å; Q814-I817 PolarHBondContact O-N 2.85Å; I817-N820 PolarHBondContact O-N 2.87Å; I817-L908 HydrophobicContact CD1-CD2 4.33Å |
| 818 | I | 58.2 | Low | 60.9 | Low | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | cis | 94.3 | -39.2 | 44.5 | -72.1 | 168.5 | 0 | 0 | 0 | 113.9 | V294 L295 L296 N297 E393 Q814 Q815 S816 | V294-I818 HydrophobicContact CG1-CD1 3.73Å; L295-I818 VanDerWaalsContact C-CG2 3.41Å; L295-I818 WeakPolarHBondContact O-CG2 3.27Å; L296-I818 CarbonylContact C-O 3.52Å; L296-I818 VanDerWaalsContact CA-CB 3.48Å; L296-I818 WeakPolarHBondContact CA-O 3.26Å; L296-I818 HydrophobicContact CB-CB 4.23Å; L296-I818 HydrophobicContact CB-CG1 3.85Å; L296-I818 VanDerWaalsContact CD1-CA 3.49Å; L296-I818 HydrophobicContact CD1-CB 3.93Å; L296-I818 HydrophobicContact CD1-CD1 4.33Å; L296-I818 HydrophobicContact CD1-CG1 3.19Å; L296-I818 VanDerWaalsContact CG-CA 3.46Å; L296-I818 HydrophobicContact CG-CB 4.11Å; L296-I818 HydrophobicContact CG-CG1 3.76Å; L296-I818 WeakPolarHBondContact CG-O 3.26Å; L296-I818 VanDerWaalsContact N-CG1 3.32Å; N297-I818 PolarHBondContact N-O 3.22Å; N297-I818 CarbonylContact O-C 3.55Å; E393-I818 VanDerWaalsContact C-CD1 3.42Å; E393-I818 WeakPolarHBondContact O-CD1 3.45Å; Q814-I818 VanDerWaalsContact O-CB 3.22Å; Q814-I818 WeakPolarHBondContact O-CB 3.43Å; Q814-I818 WeakPolarHBondContact O-CD1 3.37Å; Q814-I818 WeakPolarHBondContact O-CG1 2.99Å; Q814-I818 WeakPolarHBondContact O-CG2 3.3Å; Q815-I818 VanDerWaalsContact CA-CG2 3.41Å; Q815-I818 WeakPolarHBondContact O-CG2 3.15Å; S816-I818 CarbonylContact O-C 3.14Å; S816-I818 WeakPolarHBondContact O-CA 2.98Å; S816-I818 PolarHBondContact O-N 2.99Å |
| 819 | N | 55.7 | Low | 60.9 | Low | 64 Ų | 64 | 41.1 Ų | 41.1 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -2.6 | 153.1 | -106.5 | 9 | 0 | 0 | 0 | 113.5 | N297 T359 S816 Q821 | N297-N819 WeakPolarHBondContact CB-OD1 3.44Å; N297-N819 PolarHBondContact ND2-OD1 2.96Å; N297-N819 WeakPolarHBondContact O-CB 3.48Å; N297-N819 PolarHBondContact O-ND2 2.77Å; N297-N819 PolarHBondContact O-OD1 3.07Å; T359-N819 HydrophobicContact CG2-CB 3.23Å; S816-N819 PolarHBondContact O-N 2.94Å; N819-Q821 VanDerWaalsContact C-N 3.31Å; N819-Q821 PolarHBondContact O-N 3.35Å; N819-Q821 VanDerWaalsContact O-N 3.15Å |
| 820 | N | 59.5 | Low | 60.7 | Low | 89 Ų | 89 | 44.5 Ų | 44.5 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | trans | 63.3 | 24.3 | 160.8 | -159.1 | 91.8 | 0 | 0 | 0 | 115.8 | I817 W822 | I817-N820 PolarHBondContact O-N 2.87Å; N820-W822 VanDerWaalsContact ND2-CD1 3.33Å; N820-W822 PolarHBondContact ND2-NE1 2.89Å; N820-W822 VanDerWaalsContact ND2-NE1 3.16Å; N820-W822 PolarHBondContact O-N 3.33Å; N820-W822 VanDerWaalsContact O-N 3.16Å; N820-W822 PolarHBondContact OD1-NE1 3.21Å | ||
| 821 | Q | 59.5 | Low | 60.6 | Low | 108 Ų | 108 | 48.4 Ų | 48.4 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | trans | -84.4 | 79.8 | 172.9 | -56.6 | 154.7 | -114.7 | 0 | 0 | 110.1 | T359 Q361 I757 N819 N823 | T359-Q821 HydrophobicContact CG2-CB 3.58Å; T359-Q821 HydrophobicContact CG2-CG 3.56Å; T359-Q821 PolarHBondContact OG1-NE2 3.02Å; T359-Q821 PolarHBondContact OG1-OE1 3.01Å; T359-Q821 VanDerWaalsContact OG1-OE1 3.09Å; Q361-Q821 VanDerWaalsContact NE2-N 3.14Å; Q361-Q821 PolarHBondContact NE2-O 3.34Å; I757-Q821 WeakPolarHBondContact CG2-O 3.18Å; N819-Q821 VanDerWaalsContact C-N 3.31Å; N819-Q821 PolarHBondContact O-N 3.35Å; N819-Q821 VanDerWaalsContact O-N 3.15Å; Q821-N823 PolarHBondContact O-N 2.95Å; Q821-N823 PolarHBondContact O-OD1 2.87Å | ||
| 822 | W | 65.7 | Low | 60.3 | Low | 40 Ų | 40 | 50.9 Ų | 50.9 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | trans | -76.7 | 105.3 | -176.9 | -63.3 | 92.7 | 0 | 0 | 0 | 109.9 | Q361 I363 T755 N820 R889 | Q361-W822 HydrophobicContact CB-CD2 3.6Å; Q361-W822 HydrophobicContact CB-CE3 3.51Å; Q361-W822 HydrophobicContact CB-CH2 3.03Å; Q361-W822 HydrophobicContact CB-CZ2 3.13Å; Q361-W822 HydrophobicContact CB-CZ3 3.22Å; Q361-W822 VanDerWaalsContact CD-CE3 3.43Å; Q361-W822 HydrophobicContact CG-CD2 3.27Å; Q361-W822 HydrophobicContact CG-CE3 3.65Å; Q361-W822 HydrophobicContact CG-CG 3.7Å; Q361-W822 HydrophobicContact CG-CH2 3.88Å; Q361-W822 HydrophobicContact CG-CZ2 3.53Å; Q361-W822 HydrophobicContact CG-CZ3 3.91Å; Q361-W822 VanDerWaalsContact NE2-CA 3.33Å; Q361-W822 VanDerWaalsContact OE1-CG 3.27Å; I363-W822 HydrophobicContact CB-CH2 4.27Å; I363-W822 HydrophobicContact CB-CZ3 4.05Å; I363-W822 HydrophobicContact CD1-CE3 3.98Å; I363-W822 HydrophobicContact CD1-CH2 4.31Å; I363-W822 HydrophobicContact CD1-CZ3 3.39Å; I363-W822 HydrophobicContact CG1-CE3 4.34Å; I363-W822 HydrophobicContact CG1-CH2 3.78Å; I363-W822 HydrophobicContact CG1-CZ3 3.36Å; I363-W822 HydrophobicContact CG2-CH2 3.62Å; I363-W822 HydrophobicContact CG2-CZ3 3.51Å; T755-W822 HydrophobicContact CG2-CB 3.85Å; N820-W822 VanDerWaalsContact ND2-CD1 3.33Å; N820-W822 PolarHBondContact ND2-NE1 2.89Å; N820-W822 VanDerWaalsContact ND2-NE1 3.16Å; N820-W822 PolarHBondContact O-N 3.33Å; N820-W822 VanDerWaalsContact O-N 3.16Å; N820-W822 PolarHBondContact OD1-NE1 3.21Å; W822-R889 VanDerWaalsContact CD2-NE 3.33Å; W822-R889 VanDerWaalsContact CE2-NH2 3.3Å; W822-R889 HydrophobicContact CE3-CG 3.67Å; W822-R889 HydrophobicContact CH2-CB 4.44Å; W822-R889 HydrophobicContact CH2-CG 3.73Å; W822-R889 VanDerWaalsContact CH2-NE 3.32Å; W822-R889 HydrophobicContact CZ3-CB 4.04Å; W822-R889 HydrophobicContact CZ3-CG 3.16Å | ||
| 823 | N | 67.3 | Low | 60.1 | Low | 73 Ų | 73 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | trans | -82.5 | -153.5 | 178.6 | -23.9 | -6.9 | 0 | 0 | 0 | 111.5 | Y344 G345 T755 Y756 Q821 | Y344-N823 CarbonylContact C-O 3.47Å; Y344-N823 CarbonylContact O-C 3.25Å; Y344-N823 VanDerWaalsContact O-CA 3.31Å; Y344-N823 WeakPolarHBondContact O-CA 3.43Å; Y344-N823 PolarHBondContact O-N 2.83Å; G345-N823 VanDerWaalsContact N-CB 3.34Å; T755-N823 WeakPolarHBondContact CG2-O 3.49Å; Y756-N823 PolarHBondContact O-N 3.11Å; Q821-N823 PolarHBondContact O-N 2.95Å; Q821-N823 PolarHBondContact O-OD1 2.87Å | ||
| 824 | T | 62.1 | Low | 59.7 | Low | 69 Ų | 69 | 50.6 Ų | 50.6 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | trans | -156 | 171.4 | 177.2 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | Y344 L753 T755 | Y344-T824 PolarHBondContact O-N 2.82Å; L753-T824 HydrophobicContact CD1-CG2 3.61Å; L753-T824 HydrophobicContact CD2-CG2 4.35Å; L753-T824 HydrophobicContact CG-CG2 3.85Å; T755-T824 HydrophobicContact CG2-CG2 4.31Å | ||
| 825 | I | 66.8 | Low | 59.4 | Low | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | trans | -140.4 | -164.3 | 150.5 | -139.9 | 170 | 0 | 0 | 0 | 107.9 | E342 K343 Y344 | E342-I825 HydrophobicContact CB-CB 4.49Å; E342-I825 HydrophobicContact CB-CD1 3.65Å; E342-I825 HydrophobicContact CB-CG2 4.03Å; E342-I825 HydrophobicContact CG-CD1 4.5Å; E342-I825 WeakPolarHBondContact O-CB 3.48Å; E342-I825 WeakPolarHBondContact O-CG2 3.24Å; E342-I825 WeakPolarHBondContact OE2-CD1 3.34Å; K343-I825 HydrophobicContact CB-CB 4.34Å; K343-I825 HydrophobicContact CB-CG2 3.57Å; K343-I825 VanDerWaalsContact CE-O 3.24Å; K343-I825 WeakPolarHBondContact CE-O 3.15Å; K343-I825 HydrophobicContact CG-CB 4.26Å; K343-I825 HydrophobicContact CG-CG2 3.73Å; K343-I825 WeakPolarHBondContact CG-O 3.15Å; Y344-I825 VanDerWaalsContact N-N 3.11Å | ||
| 826 | D | 58.7 | Low | 59.1 | Low | 103 Ų | 103 | 55.8 Ų | 55.8 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | trans | -114.3 | 124.9 | 175.7 | -54 | -78.6 | 0 | 0 | 0 | 108.1 | K751 I828 | K751-D826 IonicContact NZ-OD1 3.47Å; K751-D826 PolarHBondContact NZ-OD1 3.29Å; D826-I828 PolarHBondContact O-N 3.11Å | ||
| 827 | L | 61.7 | Low | 58.8 | Low | 58 Ų | 58 | 56.4 Ų | 56.4 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | trans | -45.5 | 138.1 | -174.4 | -69.3 | 169.3 | 0 | 0 | 0 | 110.5 | K343 I754 P829 A876 F877 L878 | K343-L827 HydrophobicContact CD-CB 4.26Å; K343-L827 HydrophobicContact CD-CD2 3.33Å; K343-L827 HydrophobicContact CD-CG 3.47Å; K343-L827 VanDerWaalsContact CD-CG 3.47Å; K343-L827 HydrophobicContact CG-CD2 4.46Å; I754-L827 HydrophobicContact CD1-CD2 4.14Å; L827-P829 WeakPolarHBondContact O-CD 3.38Å; L827-P829 VanDerWaalsContact O-N 3.13Å; L827-A876 HydrophobicContact CD2-CB 3.29Å; L827-F877 CarbonylContact C-O 3.52Å; L827-F877 WeakPolarHBondContact CA-O 3.42Å; L827-F877 WeakPolarHBondContact CD2-O 2.95Å; L827-L878 HydrophobicContact CD2-CD1 3.93Å | ||
| 828 | I | 63.5 | Low | 58.4 | Low | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 124.9 | 152.8 | -62.5 | 178.8 | 0 | 0 | 0 | 105.3 | D826 E830 N832 I833 F877 L878 | D826-I828 PolarHBondContact O-N 3.11Å; I828-E830 PolarHBondContact O-N 3.16Å; I828-N832 HydrophobicContact CG2-CB 3.82Å; I828-I833 HydrophobicContact CB-CD1 3.98Å; I828-I833 HydrophobicContact CD1-CD1 3.9Å; I828-I833 HydrophobicContact CG2-CD1 3.55Å; I828-I833 HydrophobicContact CG2-CG1 4.16Å; I828-F877 HydrophobicContact CB-CB 4.25Å; I828-F877 PolarHBondContact N-O 3.03Å; I828-F877 CarbonylContact O-C 3.59Å; I828-F877 WeakPolarHBondContact O-CB 3.15Å; I828-F877 VanDerWaalsContact O-O 3.13Å; I828-L878 VanDerWaalsContact CB-N 3.35Å; I828-L878 WeakPolarHBondContact CD1-O 3.37Å; I828-L878 VanDerWaalsContact CG1-C 3.42Å |
| 829 | P | 56.7 | Low | 58.1 | Low | 61 Ų | 61 | 67.4 Ų | 67.4 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | trans | -55.7 | 130.5 | 175.1 | -26.9 | 36.5 | 0 | 0 | 0 | 110.2 | L827 I831 N832 | L827-P829 WeakPolarHBondContact O-CD 3.38Å; L827-P829 VanDerWaalsContact O-N 3.13Å; P829-I831 HydrophobicContact CB-CG2 3.69Å; P829-I831 PolarHBondContact O-N 3.12Å; P829-I831 VanDerWaalsContact O-N 3.08Å; P829-N832 WeakPolarHBondContact O-CB 3.15Å; P829-N832 PolarHBondContact O-N 2.88Å | ||
| 830 | E | 53.8 | Low | 57.8 | Low | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -51.6 | -35 | 177 | 169.4 | 159.9 | 166.5 | 0 | 0 | 111.9 | I828 N832 I833 I834 R875 F877 | I828-E830 PolarHBondContact O-N 3.16Å; E830-N832 VanDerWaalsContact C-N 3.3Å; E830-N832 PolarHBondContact O-N 3.2Å; E830-I833 PolarHBondContact O-N 2.93Å; E830-I834 HydrophobicContact CG-CD1 3.62Å; E830-I834 HydrophobicContact CG-CG1 4.32Å; E830-I834 WeakPolarHBondContact O-CB 3.35Å; E830-I834 WeakPolarHBondContact O-CG1 3.36Å; E830-I834 PolarHBondContact O-N 3.24Å; E830-R875 IonicContact OE1-CZ 3.7Å; E830-R875 IonicContact OE1-NE 2.7Å; E830-R875 PolarHBondContact OE1-NE 3.01Å; E830-R875 IonicContact OE1-NH2 2.83Å; E830-R875 PolarHBondContact OE1-NH2 2.86Å; E830-R875 WeakPolarHBondContact OE2-CG 2.8Å; E830-R875 IonicContact OE2-NE 3.18Å; E830-R875 PolarHBondContact OE2-NE 3.31Å; E830-F877 HydrophobicContact CB-CD2 3.72Å; E830-F877 HydrophobicContact CB-CE2 3.7Å; E830-F877 HydrophobicContact CG-CD2 4.02Å; E830-F877 HydrophobicContact CG-CE2 3.44Å; E830-F877 VanDerWaalsContact CG-CE2 3.44Å; E830-F877 HydrophobicContact CG-CZ 4.14Å |
| 831 | I | 59.6 | Low | 57 | Low | 82 Ų | 82 | 65.3 Ų | 65.3 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 173.5 | -165.6 | 65.3 | 0 | 0 | 0 | 113.4 | P829 N835 | P829-I831 HydrophobicContact CB-CG2 3.69Å; P829-I831 PolarHBondContact O-N 3.12Å; P829-I831 VanDerWaalsContact O-N 3.08Å; I831-N835 WeakPolarHBondContact O-CB 3.34Å; I831-N835 PolarHBondContact O-N 3.09Å; I831-N835 PolarHBondContact O-ND2 3.46Å; I831-N835 PolarHBondContact O-OD1 3.38Å |
| 832 | N | 54.5 | Low | 56.4 | Low | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.5 | -36.1 | -178.7 | -71.3 | 5.3 | 0 | 0 | 0 | 111.8 | I828 P829 E830 Y836 | I828-N832 HydrophobicContact CG2-CB 3.82Å; P829-N832 WeakPolarHBondContact O-CB 3.15Å; P829-N832 PolarHBondContact O-N 2.88Å; E830-N832 VanDerWaalsContact C-N 3.3Å; E830-N832 PolarHBondContact O-N 3.2Å; N832-Y836 WeakPolarHBondContact O-CB 3.26Å; N832-Y836 PolarHBondContact O-N 2.62Å |
| 833 | I | 54 | Low | 55.3 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84.2 | -37.1 | 179.2 | -78.3 | 150.3 | 0 | 0 | 0 | 111.4 | D336 Y734 I828 E830 N835 Y836 L837 F877 | D336-I833 WeakPolarHBondContact OD1-CG2 2.84Å; Y734-I833 HydrophobicContact CD1-CD1 4.3Å; Y734-I833 HydrophobicContact CD1-CG1 4.3Å; Y734-I833 HydrophobicContact CD2-CD1 3.47Å; Y734-I833 VanDerWaalsContact CD2-CD1 3.47Å; Y734-I833 HydrophobicContact CD2-CG1 3.95Å; Y734-I833 HydrophobicContact CD2-CG2 3.9Å; Y734-I833 HydrophobicContact CE2-CD1 4.26Å; Y734-I833 HydrophobicContact CE2-CG1 4.32Å; Y734-I833 HydrophobicContact CE2-CG2 3.49Å; Y734-I833 VanDerWaalsContact CE2-CG2 3.49Å; Y734-I833 HydrophobicContact CG-CD1 3.52Å; Y734-I833 HydrophobicContact CG-CG1 3.97Å; I828-I833 HydrophobicContact CB-CD1 3.98Å; I828-I833 HydrophobicContact CD1-CD1 3.9Å; I828-I833 HydrophobicContact CG2-CD1 3.55Å; I828-I833 HydrophobicContact CG2-CG1 4.16Å; E830-I833 PolarHBondContact O-N 2.93Å; I833-N835 PolarHBondContact O-N 2.92Å; I833-Y836 PolarHBondContact O-N 2.79Å; I833-L837 HydrophobicContact CG2-CD1 4Å; I833-L837 HydrophobicContact CG2-CG 4.38Å; I833-L837 VanDerWaalsContact O-CB 3.29Å; I833-L837 WeakPolarHBondContact O-CB 3.42Å; I833-L837 VanDerWaalsContact O-CG 3.22Å; I833-L837 WeakPolarHBondContact O-CG 3.38Å; I833-L837 PolarHBondContact O-N 3.1Å; I833-F877 HydrophobicContact CB-CD1 3.9Å; I833-F877 HydrophobicContact CB-CE1 4.03Å; I833-F877 HydrophobicContact CD1-CB 3.65Å; I833-F877 HydrophobicContact CD1-CD1 3.64Å; I833-F877 HydrophobicContact CD1-CG 4.06Å; I833-F877 HydrophobicContact CG1-CD1 4.35Å; I833-F877 HydrophobicContact CG2-CD1 3.68Å; I833-F877 HydrophobicContact CG2-CE1 3.47Å; I833-F877 VanDerWaalsContact CG2-CE1 3.47Å; I833-F877 HydrophobicContact CG2-CZ 4.49Å |
| 834 | I | 56.2 | Low | 54.2 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.5 | -41.2 | 165.4 | -69.8 | 174.1 | 0 | 0 | 0 | 110.4 | E830 L837 K838 | E830-I834 HydrophobicContact CG-CD1 3.62Å; E830-I834 HydrophobicContact CG-CG1 4.32Å; E830-I834 WeakPolarHBondContact O-CB 3.35Å; E830-I834 WeakPolarHBondContact O-CG1 3.36Å; E830-I834 PolarHBondContact O-N 3.24Å; I834-L837 PolarHBondContact O-N 3.02Å; I834-K838 HydrophobicContact CG2-CD 3.96Å; I834-K838 VanDerWaalsContact CG2-CE 3.49Å; I834-K838 WeakPolarHBondContact O-CB 2.98Å; I834-K838 VanDerWaalsContact O-CG 3.24Å; I834-K838 WeakPolarHBondContact O-CG 3.4Å; I834-K838 PolarHBondContact O-N 2.77Å |
| 835 | N | 56 | Low | 53 | Low | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.7 | -48.4 | 175.3 | -74.6 | -11.6 | 0 | 0 | 0 | 112.1 | I831 I833 L837 K838 H839 | I831-N835 WeakPolarHBondContact O-CB 3.34Å; I831-N835 PolarHBondContact O-N 3.09Å; I831-N835 PolarHBondContact O-ND2 3.46Å; I831-N835 PolarHBondContact O-OD1 3.38Å; I833-N835 PolarHBondContact O-N 2.92Å; N835-L837 PolarHBondContact O-N 3.43Å; N835-K838 PolarHBondContact O-N 2.97Å; N835-H839 VanDerWaalsContact O-CB 3.29Å; N835-H839 WeakPolarHBondContact O-CB 3.45Å; N835-H839 PolarHBondContact O-N 3.1Å |
| 836 | Y | 53.2 | Low | 51.8 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53.5 | -41.8 | 174.1 | 170.6 | -101.3 | 0 | 0 | 0 | 111.8 | N729 N832 I833 H839 K840 | N729-Y836 VanDerWaalsContact CG-CZ 3.49Å; N729-Y836 WeakPolarHBondContact ND2-CE2 3.37Å; N729-Y836 PolarHBondContact ND2-OH 2.91Å; N729-Y836 PolarHBondContact OD1-OH 3.09Å; N832-Y836 WeakPolarHBondContact O-CB 3.26Å; N832-Y836 PolarHBondContact O-N 2.62Å; I833-Y836 PolarHBondContact O-N 2.79Å; Y836-H839 PolarHBondContact O-N 3.44Å; Y836-K840 HydrophobicContact CE1-CD 4.14Å; Y836-K840 VanDerWaalsContact O-CB 3.27Å; Y836-K840 WeakPolarHBondContact O-CB 3.42Å; Y836-K840 PolarHBondContact O-N 2.95Å; Y836-K840 PolarHBondContact OH-NZ 3.46Å |
| 837 | L | 52.2 | Low | 50.8 | Low | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.6 | -24.9 | -177.9 | -69 | 178.6 | 0 | 0 | 0 | 115 | K335 D336 I833 I834 N835 N841 | K335-L837 HydrophobicContact CB-CD1 3.57Å; K335-L837 HydrophobicContact CD-CB 4.05Å; K335-L837 HydrophobicContact CD-CD1 3.83Å; K335-L837 HydrophobicContact CD-CD2 4.06Å; K335-L837 HydrophobicContact CD-CG 4.21Å; K335-L837 HydrophobicContact CG-CD1 3.57Å; K335-L837 HydrophobicContact CG-CD2 3.8Å; K335-L837 HydrophobicContact CG-CG 4.18Å; K335-L837 PolarHBondContact NZ-O 3.04Å; D336-L837 WeakPolarHBondContact OD1-CD1 3.36Å; I833-L837 HydrophobicContact CG2-CD1 4Å; I833-L837 HydrophobicContact CG2-CG 4.38Å; I833-L837 VanDerWaalsContact O-CB 3.29Å; I833-L837 WeakPolarHBondContact O-CB 3.42Å; I833-L837 VanDerWaalsContact O-CG 3.22Å; I833-L837 WeakPolarHBondContact O-CG 3.38Å; I833-L837 PolarHBondContact O-N 3.1Å; I834-L837 PolarHBondContact O-N 3.02Å; N835-L837 PolarHBondContact O-N 3.43Å; L837-N841 PolarHBondContact O-N 2.85Å |
| 838 | K | 51.9 | Low | 49.4 | Very low | 119 Ų | 119 | 79.6 Ų | 79.6 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.4 | -49.5 | 164.8 | -77 | 169.9 | 178.9 | 175.2 | 0 | 110 | I834 N835 K840 N841 Q842 | I834-K838 HydrophobicContact CG2-CD 3.96Å; I834-K838 VanDerWaalsContact CG2-CE 3.49Å; I834-K838 WeakPolarHBondContact O-CB 2.98Å; I834-K838 VanDerWaalsContact O-CG 3.24Å; I834-K838 WeakPolarHBondContact O-CG 3.4Å; I834-K838 PolarHBondContact O-N 2.77Å; N835-K838 PolarHBondContact O-N 2.97Å; K838-K840 VanDerWaalsContact C-N 3.29Å; K838-K840 PolarHBondContact O-N 3.24Å; K838-N841 CarbonylContact O-C 3.21Å; K838-N841 PolarHBondContact O-N 2.74Å; K838-Q842 WeakPolarHBondContact O-CG 3.28Å; K838-Q842 PolarHBondContact O-N 2.56Å |
| 839 | H | 51.9 | Low | 47.7 | Very low | 117 Ų | 117 | 81.8 Ų | 81.8 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | -179.7 | -145.4 | -53.7 | 0 | 0 | 0 | 111.9 | N835 Y836 Q842 L843 | N835-H839 VanDerWaalsContact O-CB 3.29Å; N835-H839 WeakPolarHBondContact O-CB 3.45Å; N835-H839 PolarHBondContact O-N 3.1Å; Y836-H839 PolarHBondContact O-N 3.44Å; H839-Q842 PolarHBondContact O-N 3.22Å; H839-L843 WeakPolarHBondContact O-CB 3.01Å; H839-L843 VanDerWaalsContact O-CG 3.26Å; H839-L843 WeakPolarHBondContact O-CG 3Å; H839-L843 PolarHBondContact O-N 3.25Å |
| 840 | K | 48.3 | Very low | 46.7 | Very low | 62 Ų | 62 | 87.7 Ų | 87.7 | 27% | 0.27 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 172.9 | -163.2 | 177.6 | -165.4 | 168.8 | 0 | 112.9 | H728 Y836 K838 L843 I844 | H728-K840 PolarHBondContact O-NZ 2.81Å; Y836-K840 HydrophobicContact CE1-CD 4.14Å; Y836-K840 VanDerWaalsContact O-CB 3.27Å; Y836-K840 WeakPolarHBondContact O-CB 3.42Å; Y836-K840 PolarHBondContact O-N 2.95Å; Y836-K840 PolarHBondContact OH-NZ 3.46Å; K838-K840 VanDerWaalsContact C-N 3.29Å; K838-K840 PolarHBondContact O-N 3.24Å; K840-L843 PolarHBondContact O-N 3.5Å; K840-I844 HydrophobicContact CG-CD1 4.08Å; K840-I844 WeakPolarHBondContact O-CB 3.26Å; K840-I844 VanDerWaalsContact O-CG1 3.25Å; K840-I844 WeakPolarHBondContact O-CG1 3.46Å; K840-I844 PolarHBondContact O-N 2.05Å |
| 841 | N | 42.7 | Very low | 46.4 | Very low | 47 Ų | 47 | 88.9 Ų | 88.9 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 170.7 | -94.4 | 27.7 | 0 | 0 | 0 | 112.1 | K335 L837 K838 I844 N845 | K335-N841 PolarHBondContact NZ-ND2 3.34Å; K335-N841 PolarHBondContact NZ-OD1 2.95Å; L837-N841 PolarHBondContact O-N 2.85Å; K838-N841 CarbonylContact O-C 3.21Å; K838-N841 PolarHBondContact O-N 2.74Å; N841-I844 PolarHBondContact O-N 2.98Å; N841-N845 VanDerWaalsContact O-CB 3.23Å; N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.33Å; N841-N845 PolarHBondContact O-OD1 3.14Å |
| 842 | Q | 46.9 | Very low | 44.7 | Very low | 115 Ų | 115 | 90.8 Ų | 90.8 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 173 | -72.6 | 170.2 | -47.1 | 0 | 0 | 111 | K838 H839 I844 N846 | K838-Q842 WeakPolarHBondContact O-CG 3.28Å; K838-Q842 PolarHBondContact O-N 2.56Å; H839-Q842 PolarHBondContact O-N 3.22Å; Q842-I844 PolarHBondContact O-N 3.01Å; Q842-N846 WeakPolarHBondContact O-CB 3.26Å; Q842-N846 PolarHBondContact O-N 2.83Å; Q842-N846 PolarHBondContact O-ND2 2.86Å; Q842-N846 PolarHBondContact O-OD1 2.92Å |
| 843 | L | 43.7 | Very low | 43.5 | Very low | 93 Ų | 93 | 92.4 Ų | 92.4 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 174.4 | -74.1 | 164.8 | 0 | 0 | 0 | 112.9 | H839 K840 Y847 | H839-L843 WeakPolarHBondContact O-CB 3.01Å; H839-L843 VanDerWaalsContact O-CG 3.26Å; H839-L843 WeakPolarHBondContact O-CG 3Å; H839-L843 PolarHBondContact O-N 3.25Å; K840-L843 PolarHBondContact O-N 3.5Å; L843-Y847 WeakPolarHBondContact O-CD2 3.05Å |
| 844 | I | 43.1 | Very low | 42.2 | Very low | 82 Ų | 82 | 97.8 Ų | 97.8 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.6 | -48.2 | 176 | -70.6 | 166.6 | 0 | 0 | 0 | 110.8 | K840 N841 Q842 N846 Y847 T848 | K840-I844 HydrophobicContact CG-CD1 4.08Å; K840-I844 WeakPolarHBondContact O-CB 3.26Å; K840-I844 VanDerWaalsContact O-CG1 3.25Å; K840-I844 WeakPolarHBondContact O-CG1 3.46Å; K840-I844 PolarHBondContact O-N 2.05Å; N841-I844 PolarHBondContact O-N 2.98Å; Q842-I844 PolarHBondContact O-N 3.01Å; I844-N846 VanDerWaalsContact C-N 3.26Å; I844-N846 PolarHBondContact O-N 2.89Å; I844-Y847 PolarHBondContact O-N 2.62Å; I844-T848 HydrophobicContact CG2-CG2 4.29Å; I844-T848 PolarHBondContact O-N 2.89Å; I844-T848 PolarHBondContact O-OG1 3Å |
| 845 | N | 37.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -30.5 | -180 | -70.3 | 6.8 | 0 | 0 | 0 | 112.6 | N841 Y847 T848 | N841-N845 VanDerWaalsContact O-CB 3.23Å; N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.33Å; N841-N845 PolarHBondContact O-OD1 3.14Å; N845-Y847 VanDerWaalsContact C-N 3.28Å; N845-Y847 PolarHBondContact O-N 2.85Å; N845-T848 PolarHBondContact O-OG1 2.87Å |
| 846 | N | 42.2 | Very low | 39.6 | Very low | 119 Ų | 119 | 105.8 Ų | 105.8 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.5 | 174.2 | -70.7 | -1.5 | 0 | 0 | 0 | 113.6 | Q842 I844 | Q842-N846 WeakPolarHBondContact O-CB 3.26Å; Q842-N846 PolarHBondContact O-N 2.83Å; Q842-N846 PolarHBondContact O-ND2 2.86Å; Q842-N846 PolarHBondContact O-OD1 2.92Å; I844-N846 VanDerWaalsContact C-N 3.26Å; I844-N846 PolarHBondContact O-N 2.89Å |
| 847 | Y | 37.1 | Very low | 38.5 | Very low | 197 Ų | 197 | 110.3 Ų | 110.3 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -18.4 | 177.8 | -87.2 | -104.7 | 0 | 0 | 0 | 113.2 | L843 I844 N845 T849 | L843-Y847 WeakPolarHBondContact O-CD2 3.05Å; I844-Y847 PolarHBondContact O-N 2.62Å; N845-Y847 VanDerWaalsContact C-N 3.28Å; N845-Y847 PolarHBondContact O-N 2.85Å; Y847-T849 PolarHBondContact O-N 2.74Å |
| 848 | T | 31.8 | Very low | 37.4 | Very low | 94 Ų | 94 | 114.7 Ų | 114.7 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 45.1 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 113 | I844 N845 | I844-T848 HydrophobicContact CG2-CG2 4.29Å; I844-T848 PolarHBondContact O-N 2.89Å; I844-T848 PolarHBondContact O-OG1 3Å; N845-T848 PolarHBondContact O-OG1 2.87Å |
| 849 | T | 29.2 | Very low | 36.5 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.1 | 24.9 | 175.8 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | Y847 N851 | Y847-T849 PolarHBondContact O-N 2.74Å; T849-N851 VanDerWaalsContact C-CG 3.47Å; T849-N851 VanDerWaalsContact C-OD1 3.31Å; T849-N851 WeakPolarHBondContact CA-OD1 2.92Å; T849-N851 PolarHBondContact O-ND2 2.89Å; T849-N851 PolarHBondContact O-OD1 2.77Å |
| 850 | H | 34.4 | Very low | 35.7 | Very low | 184 Ų | 184 | 111.4 Ų | 111.4 | 85% | 0.852 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -148.3 | 87 | 149.2 | -113.2 | -70.7 | 0 | 0 | 0 | 116 | ||
| 851 | N | 48.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | cis | -157.7 | 1.4 | -18.7 | -118.5 | -36.3 | 0 | 0 | 0 | 113.9 | T849 | T849-N851 VanDerWaalsContact C-CG 3.47Å; T849-N851 VanDerWaalsContact C-OD1 3.31Å; T849-N851 WeakPolarHBondContact CA-OD1 2.92Å; T849-N851 PolarHBondContact O-ND2 2.89Å; T849-N851 PolarHBondContact O-OD1 2.77Å | ||
| 852 | T | 24.5 | Very low | 35.2 | Very low | 123 Ų | 123 | 114 Ų | 114 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | trans | -159.9 | 177.6 | -156.9 | 41.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 853 | T | 28.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 112.4 Ų | 112.4 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | trans | 86.6 | 102 | 162.2 | 57.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 854 | T | 27.1 | Very low | 34.8 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | trans | 71.4 | 119.5 | 136.7 | 51.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 855 | N | 28.1 | Very low | 34.9 | Very low | 148 Ų | 148 | 108.1 Ų | 108.1 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | 73.5 | 57.2 | 146.4 | -61.5 | 5.6 | 0 | 0 | 0 | 118.9 | ||||
| 856 | N | 28 | Very low | 35.4 | Very low | 133 Ų | 133 | 106.5 Ų | 106.5 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | 2.3 | 120.5 | 122.1 | -64.5 | -12.7 | 0 | 0 | 0 | 116.6 | |||||
| 857 | N | 29.9 | Very low | 35.4 | Very low | 152 Ų | 152 | 103.8 Ų | 103.8 | 81% | 0.813 | 57% | 0.566 | S | S | * | * | S | Bend | 176.9 | 88.9 | 129.7 | -89.8 | -15.9 | 0 | 0 | 0 | 108.9 | |||
| 858 | N | 30.9 | Very low | 35.8 | Very low | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 165 | -14.3 | 161.8 | -91 | -24.8 | 0 | 0 | 0 | 112.9 | S860 N861 | N858-S860 PolarHBondContact O-N 2.9Å; N858-S860 VanDerWaalsContact O-N 3.16Å; N858-N861 PolarHBondContact O-N 2.89Å |
| 859 | S | 32.3 | Very low | 36.1 | Very low | 92 Ų | 92 | 94.8 Ų | 94.8 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -64.5 | -16.9 | -176.2 | 45.8 | 0 | 0 | 0 | 0 | 115.2 | N861 I862 | S859-N861 PolarHBondContact O-N 2.81Å; S859-I862 PolarHBondContact O-N 3.33Å |
| 860 | S | 35.6 | Very low | 36.9 | Very low | 75 Ų | 75 | 93.8 Ų | 93.8 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -54.7 | -33.1 | 166.3 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | Y334 N858 I862 M863 | Y334-S860 WeakPolarHBondContact CD2-O 3.35Å; N858-S860 PolarHBondContact O-N 2.9Å; N858-S860 VanDerWaalsContact O-N 3.16Å; S860-I862 PolarHBondContact O-N 3.48Å; S860-I862 VanDerWaalsContact O-N 3.1Å; S860-M863 PolarHBondContact O-N 3.07Å |
| 861 | N | 38.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 93.6 Ų | 93.6 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -85.2 | 18.8 | -171.4 | -66.2 | 20.8 | 0 | 0 | 0 | 113.8 | Y334 N858 S859 | Y334-N861 WeakPolarHBondContact CB-O 3.23Å; Y334-N861 VanDerWaalsContact CD2-C 3.43Å; Y334-N861 VanDerWaalsContact CD2-CA 3.42Å; Y334-N861 HydrophobicContact CD2-CB 4.32Å; Y334-N861 VanDerWaalsContact CE2-CA 3.47Å; Y334-N861 HydrophobicContact CE2-CB 4.01Å; N858-N861 PolarHBondContact O-N 2.89Å; S859-N861 PolarHBondContact O-N 2.81Å |
| 862 | I | 41.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 95.6 Ų | 95.6 | 42% | 0.415 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -113.1 | 12.5 | 162.4 | -58.6 | -175.9 | 0 | 0 | 0 | 110.6 | Y334 S859 S860 | Y334-I862 VanDerWaalsContact CB-C 3.41Å; Y334-I862 VanDerWaalsContact N-C 3.29Å; Y334-I862 PolarHBondContact N-O 3.15Å; Y334-I862 CarbonylContact O-C 3.57Å; Y334-I862 VanDerWaalsContact O-C 3.3Å; Y334-I862 VanDerWaalsContact O-CA 3.24Å; Y334-I862 WeakPolarHBondContact O-CA 2.74Å; Y334-I862 WeakPolarHBondContact O-CG2 3.06Å; Y334-I862 VanDerWaalsContact O-O 3.05Å; S859-I862 PolarHBondContact O-N 3.33Å; S860-I862 PolarHBondContact O-N 3.48Å; S860-I862 VanDerWaalsContact O-N 3.1Å |
| 863 | M | 37.4 | Very low | 38.3 | Very low | 82 Ų | 82 | 91.5 Ų | 91.5 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -125.2 | 29.9 | 179.1 | -64.1 | -57.2 | -133.6 | 0 | 0 | 123 | H332 Q333 S860 | H332-M863 CarbonylContact C-O 3.23Å; Q333-M863 WeakPolarHBondContact CA-O 3.24Å; Q333-M863 HydrophobicContact CB-SD 3.8Å; Q333-M863 HydrophobicContact CG-CE 4.36Å; Q333-M863 HydrophobicContact CG-SD 3.58Å; Q333-M863 VanDerWaalsContact CG-SD 3.58Å; Q333-M863 PolarHBondContact N-O 3.45Å; S860-M863 PolarHBondContact O-N 3.07Å |
| 864 | N | 44 | Very low | 40.3 | Very low | 65 Ų | 65 | 89.8 Ų | 89.8 | 35% | 0.348 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -137.7 | 31.4 | 172.2 | -54.2 | 69 | 0 | 0 | 0 | 122.6 | D331 H332 Q333 Y334 | D331-N864 PolarHBondContact OD1-ND2 3.49Å; D331-N864 PolarHBondContact OD2-ND2 3.05Å; H332-N864 VanDerWaalsContact C-C 3.41Å; H332-N864 CarbonylContact O-C 3.39Å; H332-N864 VanDerWaalsContact O-C 3.27Å; Q333-N864 VanDerWaalsContact C-N 3.28Å; Q333-N864 VanDerWaalsContact N-N 3.11Å; Y334-N864 VanDerWaalsContact CA-N 3.31Å; Y334-N864 HydrophobicContact CD1-CB 4.44Å; Y334-N864 HydrophobicContact CD2-CB 3.37Å; Y334-N864 WeakPolarHBondContact CD2-OD1 3.13Å; Y334-N864 HydrophobicContact CE2-CB 3.48Å; Y334-N864 VanDerWaalsContact CE2-CB 3.48Å; Y334-N864 WeakPolarHBondContact CE2-OD1 3.26Å; Y334-N864 HydrophobicContact CG-CB 3.86Å |
| 865 | L | 45.9 | Very low | 42.3 | Very low | 19 Ų | 19 | 87 Ų | 87 | 10% | 0.099 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -127.1 | -13.9 | 178.5 | -76.7 | 150.4 | 0 | 0 | 0 | 118.2 | H332 Q333 Y334 K335 L724 | H332-L865 CarbonylContact O-C 3.51Å; H332-L865 PolarHBondContact O-N 2.76Å; Q333-L865 CarbonylContact O-C 3.3Å; Q333-L865 WeakPolarHBondContact O-CA 3.29Å; Q333-L865 PolarHBondContact O-N 2.72Å; Y334-L865 VanDerWaalsContact CA-N 3.29Å; Y334-L865 HydrophobicContact CD1-CD1 3.74Å; Y334-L865 HydrophobicContact CD1-CG 4.12Å; Y334-L865 HydrophobicContact CG-CD1 4.29Å; K335-L865 VanDerWaalsContact O-CB 3.3Å; K335-L865 WeakPolarHBondContact O-CB 3.49Å; K335-L865 WeakPolarHBondContact O-CD1 3.49Å; L724-L865 HydrophobicContact CD1-CD2 4.04Å; L724-L865 HydrophobicContact CD2-CD1 4Å; L724-L865 HydrophobicContact CD2-CD2 4.32Å |
| 866 | L | 47.2 | Very low | 44.4 | Very low | 65 Ų | 65 | 80 Ų | 80 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -83.1 | -13.1 | -176.3 | -91.5 | 158.1 | 0 | 0 | 0 | 113.8 | H332 Q333 K335 | H332-L866 CarbonylContact O-C 3.38Å; H332-L866 PolarHBondContact O-N 2.71Å; Q333-L866 HydrophobicContact CB-CB 3.86Å; Q333-L866 HydrophobicContact CB-CD1 3.74Å; Q333-L866 HydrophobicContact CB-CG 4.37Å; Q333-L866 WeakPolarHBondContact O-CB 3.19Å; Q333-L866 WeakPolarHBondContact O-CG 3.31Å; Q333-L866 PolarHBondContact O-N 3.08Å; K335-L866 HydrophobicContact CB-CD1 4.32Å; K335-L866 HydrophobicContact CD-CD1 4.04Å |
| 867 | N | 43.6 | Very low | 46.6 | Very low | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -118.4 | 63.6 | -178.1 | -71.8 | 30.2 | 0 | 0 | 0 | 110.4 | D331 H332 | D331-N867 WeakPolarHBondContact O-CB 3.38Å; D331-N867 PolarHBondContact O-ND2 3.02Å; H332-N867 HydrophobicContact CB-CB 3.99Å; H332-N867 PolarHBondContact CD2-ND2 3.11Å; H332-N867 VanDerWaalsContact CD2-ND2 3.31Å; H332-N867 WeakPolarHBondContact O-CB 3.32Å; H332-N867 PolarHBondContact O-N 2.77Å | ||
| 868 | I | 44.4 | Very low | 48.6 | Very low | 75 Ų | 75 | 66.5 Ų | 66.5 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | trans | -114.3 | 102.6 | 165.1 | -41 | 179.8 | 0 | 0 | 0 | 107 | F870 | I868-F870 HydrophobicContact CB-CD2 4.26Å; I868-F870 HydrophobicContact CB-CE2 3.7Å; I868-F870 HydrophobicContact CB-CZ 4.25Å; I868-F870 HydrophobicContact CG2-CD2 4.09Å; I868-F870 HydrophobicContact CG2-CE1 4.13Å; I868-F870 HydrophobicContact CG2-CE2 3.29Å; I868-F870 HydrophobicContact CG2-CZ 3.32Å; I868-F870 VanDerWaalsContact O-CD2 3.28Å; I868-F870 WeakPolarHBondContact O-CD2 3.38Å | ||
| 869 | P | 38.8 | Very low | 50.4 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -80.2 | 130.5 | -170.6 | 31.4 | -34.5 | 0 | 0 | 0 | 111.1 | T1918 | P869-T1918 VanDerWaalsContact CB-O 3.29Å; P869-T1918 WeakPolarHBondContact CB-O 3.48Å | ||
| 870 | F | 45.2 | Very low | 52 | Low | 63 Ų | 63 | 59.3 Ų | 59.3 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | trans | -143.2 | 104.5 | -171.7 | -73.6 | -57.5 | 0 | 0 | 0 | 113.8 | M328 I868 H872 H873 | M328-F870 HydrophobicContact CB-CE1 4.28Å; M328-F870 HydrophobicContact SD-CD1 3.67Å; M328-F870 HydrophobicContact SD-CE1 4.02Å; I868-F870 HydrophobicContact CB-CD2 4.26Å; I868-F870 HydrophobicContact CB-CE2 3.7Å; I868-F870 HydrophobicContact CB-CZ 4.25Å; I868-F870 HydrophobicContact CG2-CD2 4.09Å; I868-F870 HydrophobicContact CG2-CE1 4.13Å; I868-F870 HydrophobicContact CG2-CE2 3.29Å; I868-F870 HydrophobicContact CG2-CZ 3.32Å; I868-F870 VanDerWaalsContact O-CD2 3.28Å; I868-F870 WeakPolarHBondContact O-CD2 3.38Å; F870-H872 VanDerWaalsContact C-N 3.27Å; F870-H873 HydrophobicContact CB-CB 3.77Å; F870-H873 WeakPolarHBondContact CB-O 3.37Å; F870-H873 HydrophobicContact CD1-CB 3.72Å; F870-H873 AromaticContact CD1-CD2 3.6Å; F870-H873 AromaticContact CD1-CG 3.58Å; F870-H873 HydrophobicContact CD2-CB 3.83Å; F870-H873 HydrophobicContact CE1-CB 4.18Å; F870-H873 AromaticContact CE1-CD2 3.19Å; F870-H873 WeakPolarHBondContact CE1-CD2 3.49Å; F870-H873 AromaticContact CE1-CG 3.71Å; F870-H873 AromaticContact CE1-NE2 3.71Å; F870-H873 HydrophobicContact CE2-CB 4.25Å; F870-H873 HydrophobicContact CG-CB 3.53Å; F870-H873 AromaticContact CG-CG 3.96Å; F870-H873 HydrophobicContact CZ-CB 4.41Å; F870-H873 AromaticContact CZ-CD2 3.43Å; F870-H873 VanDerWaalsContact CZ-CD2 3.43Å; F870-H873 WeakPolarHBondContact CZ-CD2 3.4Å | ||
| 871 | Y | 42.8 | Very low | 53.5 | Low | 180 Ų | 180 | 57.8 Ų | 57.8 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.7 | -9.1 | 168.6 | -94.6 | -100.8 | 0 | 0 | 0 | 113.9 | ||
| 872 | H | 45.6 | Very low | 54.8 | Low | 137 Ų | 137 | 54.3 Ų | 54.3 | 63% | 0.634 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -122.5 | -32.3 | 175.7 | -66.8 | -61.3 | 0 | 0 | 0 | 114 | E740 F870 K874 | E740-H872 WeakPolarHBondContact CA-O 3.47Å; E740-H872 HydrophobicContact CG-CB 4.43Å; E740-H872 WeakPolarHBondContact CG-O 3.35Å; F870-H872 VanDerWaalsContact C-N 3.27Å; H872-K874 PolarHBondContact O-N 3.09Å |
| 873 | H | 49.3 | Very low | 56 | Low | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | trans | -85.7 | 100.2 | 178.2 | -53.4 | 4.5 | 0 | 0 | 0 | 113.4 | W739 F870 | W739-H873 CarbonylContact O-C 3.44Å; W739-H873 VanDerWaalsContact O-C 3.28Å; W739-H873 WeakPolarHBondContact O-CA 3.42Å; F870-H873 HydrophobicContact CB-CB 3.77Å; F870-H873 WeakPolarHBondContact CB-O 3.37Å; F870-H873 HydrophobicContact CD1-CB 3.72Å; F870-H873 AromaticContact CD1-CD2 3.6Å; F870-H873 AromaticContact CD1-CG 3.58Å; F870-H873 HydrophobicContact CD2-CB 3.83Å; F870-H873 HydrophobicContact CE1-CB 4.18Å; F870-H873 AromaticContact CE1-CD2 3.19Å; F870-H873 WeakPolarHBondContact CE1-CD2 3.49Å; F870-H873 AromaticContact CE1-CG 3.71Å; F870-H873 AromaticContact CE1-NE2 3.71Å; F870-H873 HydrophobicContact CE2-CB 4.25Å; F870-H873 HydrophobicContact CG-CB 3.53Å; F870-H873 AromaticContact CG-CG 3.96Å; F870-H873 HydrophobicContact CZ-CB 4.41Å; F870-H873 AromaticContact CZ-CD2 3.43Å; F870-H873 VanDerWaalsContact CZ-CD2 3.43Å; F870-H873 WeakPolarHBondContact CZ-CD2 3.4Å | ||
| 874 | K | 69.6 | Low | 57.4 | Low | 84 Ų | 84 | 46.8 Ų | 46.8 | 37% | 0.365 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 164.1 | 154.1 | -55.7 | -72.9 | 168.7 | 168.9 | 0 | 111.4 | T738 W739 Y741 H872 | T738-K874 CarbonylContact C-O 3.05Å; T738-K874 WeakPolarHBondContact CA-O 3.44Å; W739-K874 HydrophobicContact CD2-CB 3.87Å; W739-K874 HydrophobicContact CE3-CB 4.16Å; W739-K874 HydrophobicContact CG-CB 4.46Å; W739-K874 HydrophobicContact CH2-CB 4.03Å; W739-K874 HydrophobicContact CZ2-CB 3.72Å; W739-K874 HydrophobicContact CZ2-CG 4.37Å; W739-K874 HydrophobicContact CZ3-CB 4.25Å; W739-K874 PolarHBondContact N-O 2.97Å; W739-K874 WeakPolarHBondContact O-CA 3.41Å; W739-K874 VanDerWaalsContact O-CB 3.26Å; W739-K874 WeakPolarHBondContact O-CB 3.12Å; W739-K874 PolarHBondContact O-N 3.12Å; Y741-K874 HydrophobicContact CD1-CD 4.31Å; Y741-K874 HydrophobicContact CD1-CG 4.27Å; Y741-K874 HydrophobicContact CE1-CD 3.99Å; Y741-K874 HydrophobicContact CE1-CG 4.44Å; Y741-K874 VanDerWaalsContact CZ-CE 3.5Å; Y741-K874 PolarHBondContact OH-NZ 3.38Å; H872-K874 PolarHBondContact O-N 3.09Å |
| 875 | R | 70.8 | Confident | 58.2 | Low | 63 Ų | 63 | 43.7 Ų | 43.7 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.1 | 168.6 | 70 | -175.8 | -179.9 | 173.2 | -8.6 | 115.6 | M736 L737 W739 E830 F877 | M736-R875 HydrophobicContact CG-CB 4.34Å; M736-R875 HydrophobicContact CG-CG 4.31Å; M736-R875 PolarHBondContact SD-NH1 2.75Å; L737-R875 CarbonylContact O-C 3.53Å; L737-R875 WeakPolarHBondContact O-CA 3.2Å; L737-R875 WeakPolarHBondContact O-CB 3.43Å; W739-R875 VanDerWaalsContact CH2-C 3.49Å; W739-R875 VanDerWaalsContact CH2-O 3.25Å; W739-R875 WeakPolarHBondContact CH2-O 3.06Å; W739-R875 VanDerWaalsContact CZ3-CA 3.46Å; W739-R875 WeakPolarHBondContact CZ3-O 3.11Å; E830-R875 IonicContact OE1-CZ 3.7Å; E830-R875 IonicContact OE1-NE 2.7Å; E830-R875 PolarHBondContact OE1-NE 3.01Å; E830-R875 IonicContact OE1-NH2 2.83Å; E830-R875 PolarHBondContact OE1-NH2 2.86Å; E830-R875 WeakPolarHBondContact OE2-CG 2.8Å; E830-R875 IonicContact OE2-NE 3.18Å; E830-R875 PolarHBondContact OE2-NE 3.31Å; R875-F877 HydrophobicContact CG-CE2 4.04Å |
| 876 | A | 72.3 | Confident | 59.6 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 129.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M736 L737 W739 I754 L827 L878 | M736-A876 CarbonylContact C-O 3.51Å; M736-A876 WeakPolarHBondContact CA-O 2.74Å; L737-A876 HydrophobicContact CD1-CB 3.59Å; L737-A876 PolarHBondContact N-O 2.79Å; L737-A876 PolarHBondContact O-N 2.68Å; W739-A876 HydrophobicContact CE3-CB 4.46Å; W739-A876 HydrophobicContact CH2-CB 3.55Å; W739-A876 HydrophobicContact CZ3-CB 3.29Å; I754-A876 HydrophobicContact CD1-CB 3.72Å; L827-A876 HydrophobicContact CD2-CB 3.29Å; A876-L878 HydrophobicContact CB-CD1 3.76Å; A876-L878 WeakPolarHBondContact O-CD1 2.77Å |
| 877 | F | 72.1 | Confident | 60.8 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 162.3 | 175.7 | -56.4 | -111.6 | 0 | 0 | 0 | 112.9 | D336 Y734 I735 M736 L827 I828 E830 I833 R875 | D336-F877 HydrophobicContact CB-CE1 3.86Å; D336-F877 VanDerWaalsContact CG-CE1 3.43Å; Y734-F877 HydrophobicContact CD2-CD1 4.15Å; Y734-F877 HydrophobicContact CE2-CD1 4.44Å; I735-F877 WeakPolarHBondContact O-CA 2.79Å; I735-F877 VanDerWaalsContact O-CB 3.28Å; I735-F877 WeakPolarHBondContact O-CB 3.19Å; I735-F877 WeakPolarHBondContact O-CD1 2.88Å; I735-F877 VanDerWaalsContact O-CG 3.32Å; I735-F877 WeakPolarHBondContact O-CG 3.13Å; M736-F877 HydrophobicContact CB-CD1 3.71Å; M736-F877 HydrophobicContact CB-CD2 4.46Å; M736-F877 HydrophobicContact CB-CE1 3.51Å; M736-F877 HydrophobicContact CB-CE2 4.23Å; M736-F877 HydrophobicContact CB-CG 4.23Å; M736-F877 HydrophobicContact CB-CZ 3.8Å; M736-F877 HydrophobicContact CG-CD1 4.26Å; M736-F877 HydrophobicContact CG-CD2 4.35Å; M736-F877 HydrophobicContact CG-CE1 3.71Å; M736-F877 HydrophobicContact CG-CE2 3.74Å; M736-F877 HydrophobicContact CG-CZ 3.42Å; M736-F877 VanDerWaalsContact CG-CZ 3.42Å; M736-F877 HydrophobicContact SD-CZ 4.14Å; L827-F877 CarbonylContact C-O 3.52Å; L827-F877 WeakPolarHBondContact CA-O 3.42Å; L827-F877 WeakPolarHBondContact CD2-O 2.95Å; I828-F877 HydrophobicContact CB-CB 4.25Å; I828-F877 PolarHBondContact N-O 3.03Å; I828-F877 CarbonylContact O-C 3.59Å; I828-F877 WeakPolarHBondContact O-CB 3.15Å; I828-F877 VanDerWaalsContact O-O 3.13Å; E830-F877 HydrophobicContact CB-CD2 3.72Å; E830-F877 HydrophobicContact CB-CE2 3.7Å; E830-F877 HydrophobicContact CG-CD2 4.02Å; E830-F877 HydrophobicContact CG-CE2 3.44Å; E830-F877 VanDerWaalsContact CG-CE2 3.44Å; E830-F877 HydrophobicContact CG-CZ 4.14Å; I833-F877 HydrophobicContact CB-CD1 3.9Å; I833-F877 HydrophobicContact CB-CE1 4.03Å; I833-F877 HydrophobicContact CD1-CB 3.65Å; I833-F877 HydrophobicContact CD1-CD1 3.64Å; I833-F877 HydrophobicContact CD1-CG 4.06Å; I833-F877 HydrophobicContact CG1-CD1 4.35Å; I833-F877 HydrophobicContact CG2-CD1 3.68Å; I833-F877 HydrophobicContact CG2-CE1 3.47Å; I833-F877 VanDerWaalsContact CG2-CE1 3.47Å; I833-F877 HydrophobicContact CG2-CZ 4.49Å; R875-F877 HydrophobicContact CG-CE2 4.04Å |
| 878 | L | 72.9 | Confident | 62.6 | Low | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | 146.8 | -144.8 | -89.1 | 113.1 | 0 | 0 | 0 | 113.9 | P341 K343 Y344 Y734 I735 L737 L827 I828 A876 | P341-L878 HydrophobicContact CB-CB 3.59Å; P341-L878 HydrophobicContact CB-CD2 4.26Å; P341-L878 VanDerWaalsContact CB-O 3.28Å; P341-L878 WeakPolarHBondContact CB-O 3.23Å; P341-L878 HydrophobicContact CG-CB 3.36Å; P341-L878 HydrophobicContact CG-CD2 3.84Å; P341-L878 HydrophobicContact CG-CG 4.23Å; K343-L878 HydrophobicContact CB-CD1 4.22Å; K343-L878 HydrophobicContact CB-CD2 3.28Å; K343-L878 HydrophobicContact CB-CG 3.69Å; Y344-L878 HydrophobicContact CD2-CD2 3.14Å; Y344-L878 HydrophobicContact CD2-CG 4.48Å; Y344-L878 HydrophobicContact CE2-CD1 3.89Å; Y344-L878 HydrophobicContact CE2-CD2 3.17Å; Y344-L878 HydrophobicContact CE2-CG 4.22Å; Y344-L878 HydrophobicContact CG-CD2 4.4Å; Y734-L878 WeakPolarHBondContact CA-O 3.24Å; Y734-L878 WeakPolarHBondContact CB-O 2.69Å; I735-L878 HydrophobicContact CD1-CB 4.41Å; I735-L878 HydrophobicContact CD1-CD1 3.68Å; I735-L878 HydrophobicContact CD1-CD2 4.04Å; I735-L878 HydrophobicContact CD1-CG 4.29Å; I735-L878 HydrophobicContact CG1-CB 3.97Å; I735-L878 HydrophobicContact CG1-CD1 3.68Å; I735-L878 HydrophobicContact CG1-CD2 4.45Å; I735-L878 HydrophobicContact CG1-CG 4.23Å; I735-L878 PolarHBondContact N-O 2.93Å; L737-L878 HydrophobicContact CD1-CD1 4.21Å; L827-L878 HydrophobicContact CD2-CD1 3.93Å; I828-L878 VanDerWaalsContact CB-N 3.35Å; I828-L878 WeakPolarHBondContact CD1-O 3.37Å; I828-L878 VanDerWaalsContact CG1-C 3.42Å; A876-L878 HydrophobicContact CB-CD1 3.76Å; A876-L878 WeakPolarHBondContact O-CD1 2.77Å |
| 879 | S | 68 | Low | 64.2 | Low | 41 Ų | 41 | 34.8 Ų | 34.8 | 29% | 0.287 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 162.1 | -172.9 | 172.3 | 0 | 0 | 0 | 0 | 115.1 | P341 E342 | P341-S879 CarbonylContact C-O 3.22Å; P341-S879 VanDerWaalsContact C-O 3.23Å; P341-S879 WeakPolarHBondContact CA-O 2.99Å; P341-S879 WeakPolarHBondContact CB-O 2.93Å; E342-S879 WeakPolarHBondContact CA-O 3.19Å; E342-S879 WeakPolarHBondContact CB-O 3.05Å; E342-S879 VanDerWaalsContact CD-C 3.44Å; E342-S879 VanDerWaalsContact CD-O 3.25Å; E342-S879 WeakPolarHBondContact CG-O 3.45Å; E342-S879 PolarHBondContact N-O 3.27Å; E342-S879 PolarHBondContact OE1-OG 2.88Å; E342-S879 WeakPolarHBondContact OE2-CB 3.35Å; E342-S879 PolarHBondContact OE2-OG 3.42Å; E342-S879 VanDerWaalsContact OE2-OG 3.08Å |
| 880 | I | 67.1 | Low | 66.3 | Low | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -141.2 | 128 | 171.2 | 148.6 | 179.6 | 0 | 0 | 0 | 113 | L339 L340 P341 E342 P733 V884 Y886 C916 F918 | L339-I880 HydrophobicContact CD2-CD1 3.93Å; L339-I880 HydrophobicContact CD2-CG2 3.53Å; L340-I880 WeakPolarHBondContact O-CB 3.11Å; L340-I880 WeakPolarHBondContact O-CD1 3.13Å; L340-I880 WeakPolarHBondContact O-CG2 3.32Å; P341-I880 HydrophobicContact CB-CB 4.18Å; P341-I880 HydrophobicContact CB-CG2 3.81Å; E342-I880 WeakPolarHBondContact OE1-CA 3.19Å; E342-I880 PolarHBondContact OE1-N 2.88Å; P733-I880 VanDerWaalsContact C-CG2 3.44Å; P733-I880 HydrophobicContact CB-CG2 3.79Å; P733-I880 HydrophobicContact CG-CG2 3.95Å; P733-I880 VanDerWaalsContact CG-O 3.25Å; P733-I880 WeakPolarHBondContact CG-O 3.13Å; P733-I880 VanDerWaalsContact O-CG2 3.26Å; P733-I880 WeakPolarHBondContact O-CG2 2.85Å; P733-I880 PolarHBondContact O-N 2.84Å; I880-V884 VanDerWaalsContact CD1-O 3.27Å; I880-V884 WeakPolarHBondContact CD1-O 3.19Å; I880-Y886 WeakPolarHBondContact CA-OH 3.42Å; I880-Y886 HydrophobicContact CB-CE1 4.49Å; I880-Y886 HydrophobicContact CB-CE2 3.72Å; I880-Y886 WeakPolarHBondContact CB-OH 3.46Å; I880-Y886 HydrophobicContact CD1-CD2 4.08Å; I880-Y886 HydrophobicContact CD1-CE2 3.4Å; I880-Y886 VanDerWaalsContact CD1-CE2 3.4Å; I880-Y886 HydrophobicContact CG1-CE2 3.48Å; I880-Y886 VanDerWaalsContact CG1-CE2 3.48Å; I880-Y886 WeakPolarHBondContact CG1-OH 3.18Å; I880-C916 HydrophobicContact CD1-CB 4.37Å; I880-F918 HydrophobicContact CD1-CD2 3.35Å; I880-F918 HydrophobicContact CD1-CE2 3.39Å; I880-F918 HydrophobicContact CG1-CD2 3.56Å; I880-F918 HydrophobicContact CG1-CE2 4.02Å | ||
| 881 | H | 67.5 | Low | 67.9 | Low | 43 Ų | 43 | 31.2 Ų | 31.2 | 20% | 0.199 | 14% | 0.139 | C | C | . | . | trans | -61.9 | 146.3 | -177.4 | -87.9 | -102.1 | 0 | 0 | 0 | 110.6 | E342 D883 V884 Y886 I950 | E342-H881 VanDerWaalsContact CD-CD2 3.47Å; E342-H881 IonicContact OE1-CD2 3.94Å; E342-H881 PolarHBondContact OE1-CD2 2.73Å; E342-H881 IonicContact OE1-CG 3.54Å; E342-H881 PolarHBondContact OE1-N 2.91Å; E342-H881 IonicContact OE1-NE2 3.85Å; H881-D883 PolarHBondContact O-N 2.74Å; H881-V884 HydrophobicContact CB-CB 3.52Å; H881-V884 HydrophobicContact CB-CG1 4.17Å; H881-V884 HydrophobicContact CB-CG2 3.11Å; H881-V884 PolarHBondContact O-N 3.31Å; H881-Y886 PolarHBondContact N-OH 3.12Å; H881-I950 HydrophobicContact CB-CG1 4.3Å; H881-I950 WeakPolarHBondContact CD2-CD1 3.49Å; H881-I950 VanDerWaalsContact CD2-CG1 3.49Å; H881-I950 WeakPolarHBondContact CD2-CG1 3.48Å; H881-I950 PolarHBondContact ND1-O 2.75Å; H881-I950 VanDerWaalsContact ND1-O 3.14Å; H881-I950 WeakPolarHBondContact NE2-CD1 3Å | ||
| 882 | S | 65.5 | Low | 69.5 | Low | 10 Ų | 10 | 22.6 Ų | 22.6 | 7% | 0.07 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 124.6 | 166.6 | -63.2 | 0 | 0 | 0 | 0 | 106.8 | P919 K921 | S882-P919 VanDerWaalsContact CB-O 3.25Å; S882-P919 WeakPolarHBondContact CB-O 3.39Å; S882-K921 WeakPolarHBondContact OG-CD 3.37Å; S882-K921 WeakPolarHBondContact OG-CE 3.41Å; S882-K921 PolarHBondContact OG-NZ 2.95Å |
| 883 | D | 65.6 | Low | 70.9 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 57.3 | -165.9 | 175.2 | 49 | 0 | 0 | 0 | 112.7 | L348 K349 N350 H351 G352 L353 H881 F918 P919 | L348-D883 CarbonylContact C-O 3.43Å; L348-D883 VanDerWaalsContact CA-O 3.25Å; L348-D883 WeakPolarHBondContact CA-O 3.43Å; L348-D883 WeakPolarHBondContact CB-O 3.48Å; L348-D883 VanDerWaalsContact CB-OD1 3.27Å; L348-D883 WeakPolarHBondContact CB-OD1 3.4Å; L348-D883 HydrophobicContact CD1-CB 4.23Å; L348-D883 WeakPolarHBondContact CD1-OD1 3.43Å; L348-D883 PolarHBondContact N-O 2.6Å; K349-D883 VanDerWaalsContact CA-CG 3.48Å; K349-D883 WeakPolarHBondContact CA-OD1 3.46Å; K349-D883 WeakPolarHBondContact CA-OD2 3.44Å; K349-D883 PolarHBondContact N-OD1 2.85Å; K349-D883 VanDerWaalsContact O-OD1 3.11Å; N350-D883 VanDerWaalsContact C-OD1 3.26Å; N350-D883 WeakPolarHBondContact CA-OD2 3.46Å; N350-D883 PolarHBondContact N-OD1 2.72Å; N350-D883 PolarHBondContact N-OD2 3.27Å; H351-D883 PolarHBondContact N-OD1 3.36Å; H351-D883 PolarHBondContact N-OD2 3.43Å; G352-D883 VanDerWaalsContact N-CG 3.26Å; G352-D883 PolarHBondContact N-OD1 2.71Å; L353-D883 PolarHBondContact N-OD1 2.78Å; H881-D883 PolarHBondContact O-N 2.74Å; D883-F918 WeakPolarHBondContact CA-O 3.3Å; D883-F918 PolarHBondContact N-O 2.79Å; D883-P919 PolarHBondContact N-O 2.84Å |
| 884 | V | 66.8 | Low | 71.9 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -140.1 | 153.7 | 166.4 | 168.9 | 0 | 0 | 0 | 0 | 121.5 | I346 K347 L348 I880 H881 Y886 C916 I950 | I346-V884 HydrophobicContact CG2-CG1 3.32Å; K347-V884 HydrophobicContact CB-CG2 4.47Å; L348-V884 VanDerWaalsContact CB-CA 3.5Å; L348-V884 VanDerWaalsContact CG-C 3.44Å; L348-V884 VanDerWaalsContact CG-CA 3.4Å; L348-V884 VanDerWaalsContact N-CB 3.32Å; I880-V884 VanDerWaalsContact CD1-O 3.27Å; I880-V884 WeakPolarHBondContact CD1-O 3.19Å; H881-V884 HydrophobicContact CB-CB 3.52Å; H881-V884 HydrophobicContact CB-CG1 4.17Å; H881-V884 HydrophobicContact CB-CG2 3.11Å; H881-V884 PolarHBondContact O-N 3.31Å; V884-Y886 HydrophobicContact CB-CE2 4.28Å; V884-Y886 HydrophobicContact CG1-CE1 4.31Å; V884-Y886 HydrophobicContact CG1-CE2 3.45Å; V884-Y886 VanDerWaalsContact CG1-CE2 3.45Å; V884-Y886 WeakPolarHBondContact CG1-OH 3.04Å; V884-C916 VanDerWaalsContact O-O 3.12Å; V884-I950 HydrophobicContact CG2-CG1 3.93Å | ||
| 885 | I | 62.3 | Low | 71.5 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -143.6 | 153.3 | -178.6 | -21.7 | 166.9 | 0 | 0 | 0 | 120.4 | I302 W316 L340 I346 K347 L348 L355 F801 L915 C916 | I302-I885 HydrophobicContact CD1-CD1 3.94Å; W316-I885 HydrophobicContact CZ2-CD1 4.11Å; L340-I885 HydrophobicContact CD1-CG2 4.03Å; I346-I885 WeakPolarHBondContact CG2-O 3.29Å; K347-I885 PolarHBondContact O-N 3.12Å; L348-I885 HydrophobicContact CB-CG1 4.21Å; L348-I885 HydrophobicContact CD1-CG1 4.16Å; L348-I885 HydrophobicContact CD2-CD1 3.16Å; L348-I885 HydrophobicContact CD2-CG1 3.05Å; L348-I885 HydrophobicContact CG-CB 4.37Å; L348-I885 HydrophobicContact CG-CD1 3.9Å; L348-I885 HydrophobicContact CG-CG1 3.18Å; L355-I885 HydrophobicContact CB-CD1 3.43Å; L355-I885 VanDerWaalsContact CB-CD1 3.43Å; L355-I885 HydrophobicContact CB-CG1 4.41Å; L355-I885 HydrophobicContact CD1-CB 4.27Å; L355-I885 HydrophobicContact CD1-CD1 4.07Å; L355-I885 HydrophobicContact CD1-CG2 4.02Å; L355-I885 HydrophobicContact CD2-CB 3.78Å; L355-I885 HydrophobicContact CD2-CD1 4.31Å; L355-I885 HydrophobicContact CD2-CG1 4.43Å; L355-I885 HydrophobicContact CD2-CG2 4.32Å; L355-I885 VanDerWaalsContact CD2-O 3.23Å; L355-I885 WeakPolarHBondContact CD2-O 3.15Å; L355-I885 HydrophobicContact CG-CB 3.66Å; L355-I885 HydrophobicContact CG-CD1 3.36Å; L355-I885 HydrophobicContact CG-CG1 3.96Å; L355-I885 HydrophobicContact CG-CG2 3.98Å; F801-I885 HydrophobicContact CE1-CD1 4.47Å; I885-L915 HydrophobicContact CB-CD1 4.39Å; I885-L915 HydrophobicContact CD1-CD1 3.95Å; I885-L915 HydrophobicContact CG2-CB 4.16Å; I885-L915 HydrophobicContact CG2-CD1 3.29Å; I885-L915 HydrophobicContact CG2-CD2 3.51Å; I885-L915 HydrophobicContact CG2-CG 3.78Å; I885-C916 WeakPolarHBondContact CG2-O 3.35Å | ||
| 886 | Y | 74.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -150 | 170.2 | -155.1 | -41.7 | -123.4 | 0 | 0 | 0 | 125.5 | L340 P341 E342 I346 Y756 I880 H881 V884 F888 P906 | L340-Y886 HydrophobicContact CB-CD2 3.42Å; L340-Y886 VanDerWaalsContact CB-CD2 3.42Å; L340-Y886 HydrophobicContact CB-CE2 4.39Å; L340-Y886 HydrophobicContact CB-CG 3.69Å; L340-Y886 HydrophobicContact CD1-CD2 4.34Å; L340-Y886 WeakPolarHBondContact CD1-O 3.46Å; L340-Y886 WeakPolarHBondContact O-CD2 2.94Å; L340-Y886 WeakPolarHBondContact O-CE2 3.45Å; P341-Y886 WeakPolarHBondContact O-CD1 2.94Å; P341-Y886 WeakPolarHBondContact O-CE1 3.4Å; E342-Y886 HydrophobicContact CB-CE1 4.5Å; E342-Y886 HydrophobicContact CG-CE1 3.96Å; E342-Y886 WeakPolarHBondContact CG-OH 3.48Å; I346-Y886 HydrophobicContact CB-CD1 3.81Å; I346-Y886 HydrophobicContact CB-CE1 3.91Å; I346-Y886 HydrophobicContact CB-CG 4.3Å; I346-Y886 HydrophobicContact CD1-CD1 3.98Å; I346-Y886 HydrophobicContact CD1-CG 4.07Å; I346-Y886 HydrophobicContact CG1-CD1 4.42Å; I346-Y886 HydrophobicContact CG2-CD1 3.24Å; I346-Y886 HydrophobicContact CG2-CD2 3.7Å; I346-Y886 HydrophobicContact CG2-CE1 3.2Å; I346-Y886 HydrophobicContact CG2-CE2 3.58Å; I346-Y886 HydrophobicContact CG2-CG 3.45Å; I346-Y886 VanDerWaalsContact CG2-CG 3.45Å; Y756-Y886 AromaticContact CD2-CD1 3.46Å; Y756-Y886 HydrophobicContact CD2-CD1 3.46Å; Y756-Y886 VanDerWaalsContact CD2-CD1 3.46Å; Y756-Y886 AromaticContact CD2-CE1 3.24Å; Y756-Y886 HydrophobicContact CD2-CE1 3.24Å; Y756-Y886 AromaticContact CE2-CD1 3.96Å; Y756-Y886 HydrophobicContact CE2-CD1 3.96Å; Y756-Y886 AromaticContact CE2-CE1 3.24Å; Y756-Y886 HydrophobicContact CE2-CE1 3.24Å; I880-Y886 WeakPolarHBondContact CA-OH 3.42Å; I880-Y886 HydrophobicContact CB-CE1 4.49Å; I880-Y886 HydrophobicContact CB-CE2 3.72Å; I880-Y886 WeakPolarHBondContact CB-OH 3.46Å; I880-Y886 HydrophobicContact CD1-CD2 4.08Å; I880-Y886 HydrophobicContact CD1-CE2 3.4Å; I880-Y886 VanDerWaalsContact CD1-CE2 3.4Å; I880-Y886 HydrophobicContact CG1-CE2 3.48Å; I880-Y886 VanDerWaalsContact CG1-CE2 3.48Å; I880-Y886 WeakPolarHBondContact CG1-OH 3.18Å; H881-Y886 PolarHBondContact N-OH 3.12Å; V884-Y886 HydrophobicContact CB-CE2 4.28Å; V884-Y886 HydrophobicContact CG1-CE1 4.31Å; V884-Y886 HydrophobicContact CG1-CE2 3.45Å; V884-Y886 VanDerWaalsContact CG1-CE2 3.45Å; V884-Y886 WeakPolarHBondContact CG1-OH 3.04Å; Y886-F888 VanDerWaalsContact CB-CZ 3.47Å; Y886-F888 AromaticContact CD1-CE1 3.93Å; Y886-F888 HydrophobicContact CD1-CE1 3.93Å; Y886-F888 HydrophobicContact CD1-CZ 4.25Å; Y886-F888 HydrophobicContact CG-CE1 4.18Å; Y886-F888 HydrophobicContact CG-CZ 4.14Å; Y886-P906 WeakPolarHBondContact O-CG 3.34Å | ||
| 887 | H | 72 | Confident | 69.5 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -163.8 | 176.9 | 155.7 | -1.9 | 24.7 | 0 | 0 | 0 | 114.4 | F318 H364 G366 Y368 P906 | F318-H887 HydrophobicContact CD2-CB 4.08Å; H364-H887 WeakPolarHBondContact CA-CD2 3.47Å; H364-H887 HydrophobicContact CB-CB 4.22Å; H364-H887 VanDerWaalsContact CB-CD2 3.5Å; H364-H887 WeakPolarHBondContact CB-CD2 3.15Å; H364-H887 WeakPolarHBondContact CD2-CB 3.33Å; H364-H887 AromaticContact CD2-CG 3.34Å; H364-H887 AromaticContact CD2-ND1 3.55Å; H364-H887 AromaticContact CE1-CE1 3.89Å; H364-H887 AromaticContact CE1-CG 3.71Å; H364-H887 AromaticContact CE1-ND1 3.09Å; H364-H887 PolarHBondContact CE1-ND1 2.88Å; H364-H887 AromaticContact CG-CD2 3.67Å; H364-H887 AromaticContact CG-CE1 3.62Å; H364-H887 AromaticContact CG-CG 3.22Å; H364-H887 AromaticContact CG-ND1 3.16Å; H364-H887 AromaticContact CG-NE2 3.91Å; H364-H887 AromaticContact ND1-CE1 3.25Å; H364-H887 PolarHBondContact ND1-CE1 3.18Å; H364-H887 VanDerWaalsContact ND1-CE1 3.25Å; H364-H887 AromaticContact ND1-CG 3.47Å; H364-H887 AromaticContact ND1-ND1 2.84Å; H364-H887 PolarHBondContact ND1-ND1 2.73Å; H364-H887 AromaticContact ND1-NE2 3.99Å; H364-H887 VanDerWaalsContact NE2-CA 3.33Å; H364-H887 WeakPolarHBondContact NE2-CA 3.19Å; H364-H887 WeakPolarHBondContact NE2-CB 3.01Å; H364-H887 AromaticContact NE2-CG 3.65Å; H364-H887 PolarHBondContact NE2-N 3.06Å; H364-H887 AromaticContact NE2-ND1 3.51Å; H364-H887 PolarHBondContact NE2-O 2.86Å; G366-H887 WeakPolarHBondContact CA-CD2 3.22Å; G366-H887 VanDerWaalsContact CA-NE2 3.29Å; G366-H887 WeakPolarHBondContact CA-NE2 2.96Å; Y368-H887 AromaticContact CE1-NE2 3.87Å; Y368-H887 AromaticContact CZ-NE2 3.77Å; Y368-H887 PolarHBondContact OH-CE1 3.29Å; Y368-H887 PolarHBondContact OH-NE2 2.76Å; H887-P906 HydrophobicContact CB-CG 3.86Å | ||
| 888 | F | 81.8 | Confident | 69.1 | Low | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -153.4 | 143 | -146.6 | -56.1 | -40.2 | 0 | 0 | 0 | 123.4 | L340 P341 Y344 I363 L723 I735 L737 Y886 D903 I905 | L340-F888 HydrophobicContact CB-CZ 4.17Å; L340-F888 HydrophobicContact CD2-CD2 4.45Å; L340-F888 HydrophobicContact CD2-CE2 3.26Å; L340-F888 HydrophobicContact CD2-CZ 3.4Å; L340-F888 VanDerWaalsContact CD2-CZ 3.4Å; L340-F888 HydrophobicContact CG-CZ 4.36Å; P341-F888 HydrophobicContact CG-CZ 4.46Å; P341-F888 WeakPolarHBondContact O-CE1 3.12Å; Y344-F888 HydrophobicContact CD1-CB 3.94Å; Y344-F888 AromaticContact CD1-CD1 3.42Å; Y344-F888 HydrophobicContact CD1-CD1 3.42Å; Y344-F888 VanDerWaalsContact CD1-CD1 3.42Å; Y344-F888 HydrophobicContact CD1-CE1 4.42Å; Y344-F888 HydrophobicContact CD1-CG 4.05Å; Y344-F888 AromaticContact CD2-CD1 3.27Å; Y344-F888 HydrophobicContact CD2-CD1 3.27Å; Y344-F888 AromaticContact CD2-CE1 3.61Å; Y344-F888 HydrophobicContact CD2-CE1 3.61Å; Y344-F888 HydrophobicContact CD2-CG 4.18Å; Y344-F888 HydrophobicContact CE1-CB 3.14Å; Y344-F888 AromaticContact CE1-CD1 3.33Å; Y344-F888 HydrophobicContact CE1-CD1 3.33Å; Y344-F888 AromaticContact CE1-CG 3.49Å; Y344-F888 HydrophobicContact CE1-CG 3.49Å; Y344-F888 VanDerWaalsContact CE1-CG 3.49Å; Y344-F888 HydrophobicContact CE2-CB 4.18Å; Y344-F888 AromaticContact CE2-CD1 3.2Å; Y344-F888 HydrophobicContact CE2-CD1 3.2Å; Y344-F888 HydrophobicContact CE2-CD2 4.42Å; Y344-F888 AromaticContact CE2-CE1 3.74Å; Y344-F888 HydrophobicContact CE2-CE1 3.74Å; Y344-F888 AromaticContact CE2-CG 3.65Å; Y344-F888 HydrophobicContact CE2-CG 3.65Å; Y344-F888 AromaticContact CG-CD1 3.56Å; Y344-F888 HydrophobicContact CG-CD1 3.56Å; Y344-F888 HydrophobicContact CG-CE1 4.15Å; Y344-F888 AromaticContact CZ-CD1 3.32Å; Y344-F888 AromaticContact CZ-CG 3.36Å; I363-F888 VanDerWaalsContact CB-C 3.41Å; I363-F888 VanDerWaalsContact CB-O 3.32Å; I363-F888 WeakPolarHBondContact CB-O 3.13Å; I363-F888 WeakPolarHBondContact CG2-O 2.89Å; L723-F888 HydrophobicContact CD1-CD2 3.44Å; L723-F888 VanDerWaalsContact CD1-CD2 3.44Å; L723-F888 HydrophobicContact CD1-CE2 3.44Å; L723-F888 VanDerWaalsContact CD1-CE2 3.44Å; L723-F888 HydrophobicContact CD2-CE2 4.08Å; L723-F888 HydrophobicContact CG-CE2 4.44Å; I735-F888 HydrophobicContact CD1-CD2 4.05Å; I735-F888 HydrophobicContact CD1-CE2 3.82Å; I735-F888 HydrophobicContact CD1-CZ 4.12Å; I735-F888 HydrophobicContact CG2-CE2 4.21Å; L737-F888 HydrophobicContact CD2-CB 3.69Å; L737-F888 HydrophobicContact CD2-CD2 3.41Å; L737-F888 VanDerWaalsContact CD2-CD2 3.41Å; L737-F888 HydrophobicContact CD2-CE2 4.34Å; L737-F888 HydrophobicContact CD2-CG 3.73Å; Y886-F888 VanDerWaalsContact CB-CZ 3.47Å; Y886-F888 AromaticContact CD1-CE1 3.93Å; Y886-F888 HydrophobicContact CD1-CE1 3.93Å; Y886-F888 HydrophobicContact CD1-CZ 4.25Å; Y886-F888 HydrophobicContact CG-CE1 4.18Å; Y886-F888 HydrophobicContact CG-CZ 4.14Å; F888-D903 VanDerWaalsContact O-O 3.09Å; F888-I905 WeakPolarHBondContact CD2-O 3.26Å; F888-I905 PolarHBondContact O-N 3.12Å | ||
| 889 | R | 78.8 | Confident | 68.7 | Low | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | -179.8 | 153.8 | 73.4 | 177.9 | -175.1 | -173.5 | 8 | 115.4 | Y344 I363 I754 T755 W822 E891 P901 S902 | Y344-R889 WeakPolarHBondContact CE1-O 3.09Å; I363-R889 HydrophobicContact CG2-CB 3.26Å; I363-R889 HydrophobicContact CG2-CG 3.88Å; I363-R889 VanDerWaalsContact CG2-N 3.34Å; I754-R889 VanDerWaalsContact CA-O 3.3Å; I754-R889 WeakPolarHBondContact CA-O 3.45Å; I754-R889 WeakPolarHBondContact CG2-O 3.3Å; T755-R889 PolarHBondContact N-O 2.97Å; T755-R889 VanDerWaalsContact N-O 3.16Å; T755-R889 WeakPolarHBondContact OG1-CG 3.05Å; T755-R889 PolarHBondContact OG1-NE 2.84Å; W822-R889 VanDerWaalsContact CD2-NE 3.33Å; W822-R889 VanDerWaalsContact CE2-NH2 3.3Å; W822-R889 HydrophobicContact CE3-CG 3.67Å; W822-R889 HydrophobicContact CH2-CB 4.44Å; W822-R889 HydrophobicContact CH2-CG 3.73Å; W822-R889 VanDerWaalsContact CH2-NE 3.32Å; W822-R889 HydrophobicContact CZ3-CB 4.04Å; W822-R889 HydrophobicContact CZ3-CG 3.16Å; R889-E891 IonicContact CZ-OE1 2.69Å; R889-E891 IonicContact NE-OE1 3.02Å; R889-E891 PolarHBondContact NE-OE1 2.83Å; R889-E891 IonicContact NH2-OE1 2.99Å; R889-E891 PolarHBondContact NH2-OE1 2.85Å; R889-E891 IonicContact NH2-OE2 3.98Å; R889-E891 PolarHBondContact NH2-OE2 2.7Å; R889-P901 HydrophobicContact CG-CB 4.4Å; R889-P901 VanDerWaalsContact NH1-CG 3.3Å; R889-S902 WeakPolarHBondContact CA-OG 3.14Å; R889-S902 WeakPolarHBondContact CB-O 3.39Å; R889-S902 VanDerWaalsContact CB-OG 3.26Å; R889-S902 WeakPolarHBondContact CB-OG 3.15Å; R889-S902 VanDerWaalsContact CD-O 3.31Å; R889-S902 WeakPolarHBondContact CD-O 3.31Å |
| 890 | I | 81.2 | Confident | 68.4 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.6 | -166.7 | -51 | -171.1 | 0 | 0 | 0 | 114.1 | L737 W739 V752 I754 P901 S902 | L737-I890 HydrophobicContact CD1-CD1 4.17Å; W739-I890 HydrophobicContact CB-CD1 3.93Å; W739-I890 VanDerWaalsContact CD1-CG2 3.49Å; W739-I890 HydrophobicContact CD2-CB 4.43Å; W739-I890 HydrophobicContact CD2-CD1 3.41Å; W739-I890 VanDerWaalsContact CD2-CD1 3.41Å; W739-I890 HydrophobicContact CD2-CG1 4.45Å; W739-I890 HydrophobicContact CD2-CG2 3.7Å; W739-I890 HydrophobicContact CE3-CD1 3.16Å; W739-I890 HydrophobicContact CE3-CG1 4.5Å; W739-I890 HydrophobicContact CE3-CG2 4.42Å; W739-I890 HydrophobicContact CG-CB 4.24Å; W739-I890 HydrophobicContact CG-CD1 3.71Å; W739-I890 HydrophobicContact CG-CG2 3.72Å; W739-I890 HydrophobicContact CZ2-CG2 4.22Å; W739-I890 HydrophobicContact CZ3-CD1 3.82Å; V752-I890 HydrophobicContact CG1-CG2 4.12Å; I754-I890 HydrophobicContact CD1-CB 4.41Å; I754-I890 HydrophobicContact CD1-CD1 3.84Å; I754-I890 HydrophobicContact CD1-CG1 3.84Å; I754-I890 HydrophobicContact CD1-CG2 4.03Å; I754-I890 HydrophobicContact CG1-CB 4.11Å; I754-I890 HydrophobicContact CG1-CD1 4.46Å; I754-I890 HydrophobicContact CG1-CG1 3.91Å; I754-I890 HydrophobicContact CG1-CG2 3.79Å; I754-I890 HydrophobicContact CG2-CG1 4.48Å; I890-P901 CarbonylContact O-C 3.55Å; I890-P901 WeakPolarHBondContact O-CA 3.14Å; I890-S902 PolarHBondContact N-OG 3.13Å; I890-S902 PolarHBondContact O-N 2.91Å |
| 891 | E | 79.9 | Confident | 69 | Low | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 179.3 | -167.8 | 14.5 | -164.7 | 151.6 | 0 | 0 | 110 | P718 V752 L753 T755 R889 L900 P901 | P718-E891 VanDerWaalsContact CG-C 3.42Å; V752-E891 WeakPolarHBondContact CG1-O 2.99Å; L753-E891 CarbonylContact C-O 3.32Å; L753-E891 WeakPolarHBondContact CA-O 3.26Å; L753-E891 HydrophobicContact CB-CB 3.97Å; L753-E891 HydrophobicContact CB-CG 3.9Å; L753-E891 HydrophobicContact CD2-CG 4.19Å; L753-E891 HydrophobicContact CG-CG 4.29Å; L753-E891 PolarHBondContact N-O 3.32Å; L753-E891 CarbonylContact O-C 3.6Å; L753-E891 VanDerWaalsContact O-C 3.31Å; L753-E891 WeakPolarHBondContact O-CA 3.35Å; L753-E891 PolarHBondContact O-N 3.15Å; T755-E891 HydrophobicContact CG2-CG 4.22Å; T755-E891 WeakPolarHBondContact CG2-OE1 3.06Å; T755-E891 PolarHBondContact OG1-OE1 2.77Å; R889-E891 IonicContact CZ-OE1 2.69Å; R889-E891 IonicContact NE-OE1 3.02Å; R889-E891 PolarHBondContact NE-OE1 2.83Å; R889-E891 IonicContact NH2-OE1 2.99Å; R889-E891 PolarHBondContact NH2-OE1 2.85Å; R889-E891 IonicContact NH2-OE2 3.98Å; R889-E891 PolarHBondContact NH2-OE2 2.7Å; E891-L900 VanDerWaalsContact CA-O 3.3Å; E891-L900 WeakPolarHBondContact CA-O 3.49Å; E891-L900 WeakPolarHBondContact CB-O 3.45Å; E891-P901 HydrophobicContact CB-CB 4.28Å; E891-P901 HydrophobicContact CG-CB 4.25Å |
| 892 | L | 77 | Confident | 68.9 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 167.5 | 172.1 | -60.3 | -175.1 | 0 | 0 | 0 | 111.6 | P718 I749 K751 V752 S899 | P718-L892 HydrophobicContact CB-CD1 4Å; P718-L892 HydrophobicContact CB-CD2 3.89Å; P718-L892 HydrophobicContact CB-CG 3.61Å; P718-L892 HydrophobicContact CG-CB 4.23Å; P718-L892 HydrophobicContact CG-CD1 4.33Å; P718-L892 HydrophobicContact CG-CD2 4.09Å; P718-L892 HydrophobicContact CG-CG 3.54Å; I749-L892 HydrophobicContact CD1-CD1 3.68Å; I749-L892 HydrophobicContact CG2-CD1 3.59Å; K751-L892 WeakPolarHBondContact O-CA 3.48Å; K751-L892 VanDerWaalsContact O-CB 3.27Å; K751-L892 WeakPolarHBondContact O-CB 3.29Å; V752-L892 VanDerWaalsContact CA-CD2 3.44Å; V752-L892 HydrophobicContact CB-CD2 3.71Å; V752-L892 HydrophobicContact CG1-CD2 3.76Å; V752-L892 HydrophobicContact CG2-CD2 3.56Å; L892-S899 VanDerWaalsContact C-OG 3.24Å; L892-S899 WeakPolarHBondContact CA-OG 3.32Å; L892-S899 PolarHBondContact N-OG 3.3Å; L892-S899 PolarHBondContact O-N 2.03Å; L892-S899 PolarHBondContact O-OG 2.92Å |
| 893 | L | 73.7 | Confident | 69.3 | Low | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.199 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.3 | -176.9 | -176.8 | 60.7 | 0 | 0 | 0 | 114.1 | K751 L753 K898 | K751-L893 HydrophobicContact CB-CB 4.39Å; K751-L893 WeakPolarHBondContact CB-O 3.27Å; K751-L893 HydrophobicContact CD-CD2 4.35Å; K751-L893 HydrophobicContact CG-CB 4.48Å; K751-L893 PolarHBondContact O-N 2.85Å; L753-L893 HydrophobicContact CB-CB 4.36Å; L753-L893 HydrophobicContact CD1-CB 4.08Å; L753-L893 HydrophobicContact CD1-CD2 3.72Å; L753-L893 HydrophobicContact CD1-CG 4.48Å; L893-K898 HydrophobicContact CD1-CB 3.99Å; L893-K898 HydrophobicContact CD1-CD 4.21Å; L893-K898 HydrophobicContact CD1-CG 3.64Å |
| 894 | N | 70 | Confident | 69.9 | Low | 14 Ų | 14 | 43.5 Ų | 43.5 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | trans | -146.4 | 159.7 | 152.4 | 165.5 | -96 | 0 | 0 | 0 | 108.2 | R714 P715 I896 | R714-N894 PolarHBondContact NE-OD1 2.68Å; R714-N894 PolarHBondContact NH2-OD1 3.1Å; P715-N894 WeakPolarHBondContact CD-OD1 3.39Å; P715-N894 HydrophobicContact CG-CB 3.97Å; N894-I896 PolarHBondContact O-N 2.78Å | ||
| 895 | H | 61.5 | Low | 70.1 | Confident | 168 Ų | 168 | 44 Ų | 44 | 78% | 0.778 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -66.4 | 45 | -179 | 49 | -142.1 | 0 | 0 | 0 | 116 | ||
| 896 | I | 55.2 | Low | 70 | Confident | 125 Ų | 125 | 44 Ų | 44 | 64% | 0.641 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -140 | -115.2 | 155.9 | -44.2 | 179.1 | 0 | 0 | 0 | 105.6 | R714 N894 K898 | R714-I896 HydrophobicContact CG-CD1 3.78Å; N894-I896 PolarHBondContact O-N 2.78Å; I896-K898 PolarHBondContact O-N 2.75Å |
| 897 | G | 46.9 | Very low | 69.8 | Low | 44 Ų | 44 | 45.9 Ų | 45.9 | 45% | 0.454 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -62.7 | 134.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R714 | R714-G897 PolarHBondContact NH2-O 3.39Š|
| 898 | K | 62.6 | Low | 69.5 | Low | 165 Ų | 165 | 45.9 Ų | 45.9 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | trans | -71.9 | -172.1 | 166.8 | -47 | -164 | 178.3 | -178.3 | 0 | 110.1 | L893 I896 | L893-K898 HydrophobicContact CD1-CB 3.99Å; L893-K898 HydrophobicContact CD1-CD 4.21Å; L893-K898 HydrophobicContact CD1-CG 3.64Å; I896-K898 PolarHBondContact O-N 2.75Å | ||
| 899 | S | 65 | Low | 68.4 | Low | 34 Ų | 34 | 49.5 Ų | 49.5 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | trans | -134.7 | -139.8 | -179.7 | 74 | 0 | 0 | 0 | 0 | 115.2 | P717 L892 | P717-S899 VanDerWaalsContact CB-CB 3.45Å; L892-S899 VanDerWaalsContact C-OG 3.24Å; L892-S899 WeakPolarHBondContact CA-OG 3.32Å; L892-S899 PolarHBondContact N-OG 3.3Å; L892-S899 PolarHBondContact O-N 2.03Å; L892-S899 PolarHBondContact O-OG 2.92Å | ||
| 900 | L | 61.5 | Low | 67.5 | Low | 126 Ų | 126 | 48 Ų | 48 | 66% | 0.66 | 26% | 0.256 | S | S | * | . | trans | -133.3 | 156.7 | -163.3 | -72.7 | 178.1 | 0 | 0 | 0 | 114.4 | P718 E891 | P718-L900 WeakPolarHBondContact CD-O 3.45Å; P718-L900 WeakPolarHBondContact CG-O 3.01Å; E891-L900 VanDerWaalsContact CA-O 3.3Å; E891-L900 WeakPolarHBondContact CA-O 3.49Å; E891-L900 WeakPolarHBondContact CB-O 3.45Å | ||
| 901 | P | 79 | Confident | 66.2 | Low | 47 Ų | 47 | 52 Ų | 52 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | trans | -119.3 | -173.3 | -150.1 | 2.1 | 26 | 0 | 0 | 0 | 116.7 | R889 I890 E891 | R889-P901 HydrophobicContact CG-CB 4.4Å; R889-P901 VanDerWaalsContact NH1-CG 3.3Å; I890-P901 CarbonylContact O-C 3.55Å; I890-P901 WeakPolarHBondContact O-CA 3.14Å; E891-P901 HydrophobicContact CB-CB 4.28Å; E891-P901 HydrophobicContact CG-CB 4.25Å | ||
| 902 | S | 67.2 | Low | 65 | Low | 16 Ų | 16 | 51.2 Ų | 51.2 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -128.5 | -176.8 | -176.2 | 85.8 | 0 | 0 | 0 | 0 | 117.4 | S720 R889 I890 | S720-S902 PolarHBondContact O-OG 3.25Å; R889-S902 WeakPolarHBondContact CA-OG 3.14Å; R889-S902 WeakPolarHBondContact CB-O 3.39Å; R889-S902 VanDerWaalsContact CB-OG 3.26Å; R889-S902 WeakPolarHBondContact CB-OG 3.15Å; R889-S902 VanDerWaalsContact CD-O 3.31Å; R889-S902 WeakPolarHBondContact CD-O 3.31Å; I890-S902 PolarHBondContact N-OG 3.13Å; I890-S902 PolarHBondContact O-N 2.91Å | ||
| 903 | D | 72.5 | Confident | 63.7 | Low | 75 Ų | 75 | 52.6 Ų | 52.6 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | trans | -74.4 | 173.2 | 177.8 | -163.6 | 11.5 | 0 | 0 | 0 | 113.7 | V721 F888 | V721-D903 HydrophobicContact CG2-CB 3.88Å; V721-D903 WeakPolarHBondContact CG2-O 3.38Å; F888-D903 VanDerWaalsContact O-O 3.09Å | ||
| 904 | I | 79.1 | Confident | 62.8 | Low | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | trans | -67.8 | 142.4 | 176.5 | -42.3 | -123.7 | 0 | 0 | 0 | 112.8 | F318 M362 I363 H365 | F318-I904 HydrophobicContact CE2-CG2 4.01Å; M362-I904 WeakPolarHBondContact O-CD1 3.16Å; M362-I904 WeakPolarHBondContact O-CG1 3.24Å; I363-I904 VanDerWaalsContact CA-CG1 3.49Å; I363-I904 VanDerWaalsContact N-CD1 3.25Å; I363-I904 WeakPolarHBondContact O-CA 3.13Å; I363-I904 WeakPolarHBondContact O-CG2 3.47Å; H365-I904 HydrophobicContact CB-CB 4.19Å; H365-I904 HydrophobicContact CB-CD1 3.72Å; H365-I904 HydrophobicContact CB-CG1 4.25Å; H365-I904 HydrophobicContact CB-CG2 3.2Å; H365-I904 WeakPolarHBondContact O-CG2 3.28Å | ||
| 905 | I | 70 | Confident | 62.5 | Low | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | trans | -173.2 | 0 | 146.6 | -105.2 | 157.2 | 0 | 0 | 0 | 119 | F318 M320 V721 K722 L723 F888 | F318-I905 HydrophobicContact CE1-CB 3.93Å; F318-I905 HydrophobicContact CE1-CG1 3.82Å; F318-I905 HydrophobicContact CE1-CG2 3.92Å; F318-I905 HydrophobicContact CE2-CB 4.11Å; F318-I905 HydrophobicContact CE2-CG1 4.27Å; F318-I905 HydrophobicContact CZ-CB 3.49Å; F318-I905 VanDerWaalsContact CZ-CB 3.49Å; F318-I905 HydrophobicContact CZ-CG1 3.3Å; F318-I905 HydrophobicContact CZ-CG2 4.04Å; M320-I905 HydrophobicContact CE-CB 3.8Å; M320-I905 HydrophobicContact CE-CD1 3.47Å; M320-I905 VanDerWaalsContact CE-CD1 3.47Å; M320-I905 HydrophobicContact CE-CG1 3.23Å; M320-I905 HydrophobicContact CE-CG2 3.37Å; M320-I905 HydrophobicContact SD-CD1 4.19Å; V721-I905 HydrophobicContact CB-CB 3.82Å; V721-I905 HydrophobicContact CB-CD1 4.01Å; V721-I905 HydrophobicContact CB-CG1 4.47Å; V721-I905 HydrophobicContact CB-CG2 3.97Å; V721-I905 HydrophobicContact CG1-CB 3.81Å; V721-I905 HydrophobicContact CG1-CG2 3.65Å; V721-I905 WeakPolarHBondContact O-CD1 3.42Å; K722-I905 VanDerWaalsContact CA-CG2 3.43Å; K722-I905 WeakPolarHBondContact O-CG2 3.38Å; L723-I905 HydrophobicContact CB-CG2 3.97Å; L723-I905 HydrophobicContact CD1-CG2 4.07Å; F888-I905 WeakPolarHBondContact CD2-O 3.26Å; F888-I905 PolarHBondContact O-N 3.12Å | ||
| 906 | P | 61.5 | Low | 62.6 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | 0 | -104.8 | 0 | 0.3 | -2.7 | 0 | 0 | 0 | 128 | F318 M319 D321 L340 S367 Y886 H887 L915 | F318-P906 VanDerWaalsContact CB-CA 3.42Å; F318-P906 HydrophobicContact CB-CB 2.89Å; F318-P906 HydrophobicContact CB-CG 2.78Å; F318-P906 HydrophobicContact CD1-CB 3.58Å; F318-P906 VanDerWaalsContact CD1-CD 3.46Å; F318-P906 HydrophobicContact CD1-CG 3.96Å; F318-P906 HydrophobicContact CD2-CB 2.32Å; F318-P906 HydrophobicContact CD2-CG 2.35Å; F318-P906 HydrophobicContact CE1-CB 4.23Å; F318-P906 WeakPolarHBondContact CE1-O 3.21Å; F318-P906 HydrophobicContact CE2-CB 3.55Å; F318-P906 HydrophobicContact CE2-CG 3.92Å; F318-P906 WeakPolarHBondContact CE2-O 3.3Å; F318-P906 HydrophobicContact CG-CB 2.34Å; F318-P906 HydrophobicContact CG-CG 2.4Å; F318-P906 HydrophobicContact CZ-CB 4.23Å; F318-P906 WeakPolarHBondContact CZ-O 3.47Å; M319-P906 WeakPolarHBondContact O-CA 3.1Å; M319-P906 VanDerWaalsContact O-O 3.13Å; D321-P906 PolarHBondContact N-O 3.48Å; L340-P906 HydrophobicContact CD1-CG 4.19Å; L340-P906 HydrophobicContact CD2-CG 3.68Å; S367-P906 VanDerWaalsContact CB-CA 3.49Å; Y886-P906 WeakPolarHBondContact O-CG 3.34Å; H887-P906 HydrophobicContact CB-CG 3.86Å; P906-L915 HydrophobicContact CG-CD2 4.35Å | |
| 907 | K | 68.8 | Low | 62.9 | Low | 40 Ų | 40 | 36.7 Ų | 36.7 | 17% | 0.174 | 20% | 0.202 | C | C | . | . | trans | 154.7 | 119.9 | 149.2 | -90.3 | -137.5 | -106.1 | 132.3 | 0 | 115.4 | F318 D321 T323 H365 G366 S367 N909 S910 | F318-K907 HydrophobicContact CE2-CG 4.45Å; F318-K907 HydrophobicContact CZ-CG 4.14Å; D321-K907 HydrophobicContact CB-CB 3.45Å; D321-K907 VanDerWaalsContact CB-CB 3.45Å; D321-K907 HydrophobicContact CB-CD 4.04Å; D321-K907 HydrophobicContact CB-CG 3.72Å; D321-K907 WeakPolarHBondContact O-CE 3.01Å; D321-K907 IonicContact OD1-NZ 3.61Å; D321-K907 PolarHBondContact OD1-NZ 2.92Å; D321-K907 WeakPolarHBondContact OD2-CB 3.23Å; D321-K907 WeakPolarHBondContact OD2-CD 3.23Å; D321-K907 VanDerWaalsContact OD2-CE 3.23Å; D321-K907 WeakPolarHBondContact OD2-CE 3.29Å; D321-K907 IonicContact OD2-NZ 2.68Å; D321-K907 PolarHBondContact OD2-NZ 3.18Å; T323-K907 WeakPolarHBondContact OG1-CE 2.93Å; T323-K907 PolarHBondContact OG1-NZ 2.77Å; H365-K907 HydrophobicContact CB-CB 4.42Å; H365-K907 HydrophobicContact CB-CG 4.18Å; H365-K907 VanDerWaalsContact O-CA 3.3Å; H365-K907 WeakPolarHBondContact O-CA 3.2Å; H365-K907 PolarHBondContact O-N 3.3Å; G366-K907 CarbonylContact C-O 3.28Å; G366-K907 CarbonylContact O-C 3.58Å; S367-K907 VanDerWaalsContact CB-N 3.26Å; S367-K907 PolarHBondContact OG-N 2.96Å; S367-K907 PolarHBondContact OG-O 2.72Å; K907-N909 CarbonylContact O-C 3.45Å; K907-N909 PolarHBondContact O-N 2.99Å; K907-S910 WeakPolarHBondContact O-CB 3.4Å | ||
| 908 | L | 67 | Low | 63.8 | Low | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -40.5 | -54.4 | -153.3 | -88.1 | 134.3 | 0 | 0 | 0 | 112.3 | H364 H365 G366 N389 V390 T391 V392 Q814 I817 S910 | H364-L908 VanDerWaalsContact O-CD1 3.24Å; H364-L908 WeakPolarHBondContact O-CD1 3.09Å; H364-L908 WeakPolarHBondContact O-CD2 3.18Å; H364-L908 WeakPolarHBondContact O-CG 3.37Å; H365-L908 VanDerWaalsContact CA-N 3.25Å; H365-L908 HydrophobicContact CB-CB 4.33Å; H365-L908 HydrophobicContact CB-CD1 3.83Å; H365-L908 HydrophobicContact CB-CG 4.27Å; H365-L908 PolarHBondContact CD2-N 2.73Å; H365-L908 VanDerWaalsContact N-CD1 3.26Å; H365-L908 WeakPolarHBondContact ND1-CD1 2.83Å; G366-L908 CarbonylContact O-C 3.38Å; G366-L908 WeakPolarHBondContact O-CA 3.42Å; G366-L908 PolarHBondContact O-N 2.03Å; N389-L908 CarbonylContact C-O 3.41Å; N389-L908 VanDerWaalsContact CA-O 3.29Å; N389-L908 WeakPolarHBondContact CA-O 2.74Å; V390-L908 VanDerWaalsContact C-CB 3.42Å; V390-L908 CarbonylContact C-O 3.5Å; V390-L908 WeakPolarHBondContact CA-O 3.38Å; V390-L908 HydrophobicContact CB-CB 3.74Å; V390-L908 HydrophobicContact CB-CD2 3.16Å; V390-L908 HydrophobicContact CB-CG 3.62Å; V390-L908 WeakPolarHBondContact CB-O 3.06Å; V390-L908 HydrophobicContact CG1-CD2 3.21Å; V390-L908 HydrophobicContact CG1-CG 4.23Å; V390-L908 HydrophobicContact CG2-CB 4.29Å; V390-L908 HydrophobicContact CG2-CD2 4.06Å; V390-L908 HydrophobicContact CG2-CG 4.25Å; V390-L908 VanDerWaalsContact CG2-O 3.25Å; V390-L908 WeakPolarHBondContact CG2-O 3.35Å; V390-L908 PolarHBondContact N-O 3.13Å; V390-L908 CarbonylContact O-C 3.48Å; V390-L908 WeakPolarHBondContact O-CB 3.45Å; V390-L908 VanDerWaalsContact O-O 3.05Å; T391-L908 VanDerWaalsContact C-CD2 3.49Å; T391-L908 VanDerWaalsContact N-CD2 3.35Å; T391-L908 WeakPolarHBondContact O-CD2 3.2Å; V392-L908 HydrophobicContact CB-CD1 3.24Å; V392-L908 HydrophobicContact CG2-CD1 3.22Å; V392-L908 VanDerWaalsContact N-CD1 3.35Å; Q814-L908 HydrophobicContact CG-CD2 4.04Å; I817-L908 HydrophobicContact CD1-CD2 4.33Å; L908-S910 PolarHBondContact O-N 2.83Å; L908-S910 VanDerWaalsContact O-N 3.09Å; L908-S910 PolarHBondContact O-OG 3.04Å |
| 909 | N | 58.9 | Low | 63.4 | Low | 75 Ų | 75 | 28.7 Ų | 28.7 | 40% | 0.401 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -84 | 87.6 | -179.9 | -77.3 | -69.9 | 0 | 0 | 0 | 114.1 | N389 V390 T391 K907 | N389-N909 HydrophobicContact CB-CB 4.3Å; V390-N909 VanDerWaalsContact O-CG 3.28Å; V390-N909 PolarHBondContact O-N 3.35Å; V390-N909 PolarHBondContact O-ND2 2.81Å; V390-N909 PolarHBondContact O-OD1 2.89Å; T391-N909 PolarHBondContact OG1-ND2 2.69Å; T391-N909 PolarHBondContact OG1-OD1 3.21Å; K907-N909 CarbonylContact O-C 3.45Å; K907-N909 PolarHBondContact O-N 2.99Å |
| 910 | S | 59.5 | Low | 63.4 | Low | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | trans | -130 | 157.9 | -156.9 | 43.8 | 0 | 0 | 0 | 0 | 119.5 | G366 S367 F388 N389 K907 L908 E914 | G366-S910 WeakPolarHBondContact O-CB 3.34Å; G366-S910 PolarHBondContact O-OG 3.37Å; S367-S910 VanDerWaalsContact CA-OG 3.29Å; S367-S910 WeakPolarHBondContact CA-OG 2.86Å; S367-S910 WeakPolarHBondContact OG-CB 3.42Å; F388-S910 CarbonylContact C-O 3.28Å; F388-S910 WeakPolarHBondContact CA-O 3.14Å; F388-S910 PolarHBondContact N-O 3.44Å; F388-S910 CarbonylContact O-C 3.57Å; F388-S910 WeakPolarHBondContact O-CB 3.3Å; F388-S910 PolarHBondContact O-OG 2.86Å; N389-S910 PolarHBondContact ND2-N 2.83Å; N389-S910 VanDerWaalsContact ND2-N 3.19Å; N389-S910 PolarHBondContact OD1-O 2.86Å; K907-S910 WeakPolarHBondContact O-CB 3.4Å; L908-S910 PolarHBondContact O-N 2.83Å; L908-S910 VanDerWaalsContact O-N 3.09Å; L908-S910 PolarHBondContact O-OG 3.04Å; S910-E914 WeakPolarHBondContact CA-OE2 3.42Å; S910-E914 WeakPolarHBondContact CB-OE2 3.16Å | ||
| 911 | N | 53.9 | Low | 63.7 | Low | 82 Ų | 82 | 25 Ų | 25 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 163.6 | 169.3 | -57.2 | -81.4 | 0 | 0 | 0 | 110.8 | Y368 N913 E914 | Y368-N911 PolarHBondContact N-O 2.87Å; Y368-N911 VanDerWaalsContact N-O 3.12Å; N911-N913 HydrophobicContact CB-CB 4.24Å; N911-N913 PolarHBondContact O-N 3.17Å; N911-E914 VanDerWaalsContact CB-OE1 3.3Å; N911-E914 WeakPolarHBondContact CB-OE1 3.07Å; N911-E914 PolarHBondContact N-OE2 3.09Å; N911-E914 PolarHBondContact ND2-OE1 3.43Å; N911-E914 WeakPolarHBondContact O-CB 3.45Å |
| 912 | H | 55 | Low | 63.4 | Low | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 43.2 | 162.3 | 143.6 | 18.5 | 0 | 0 | 0 | 110.5 | C304 Y368 R369 C370 Y385 V386 F388 | C304-H912 PolarHBondContact SG-CE1 3.46Å; C304-H912 PolarHBondContact SG-NE2 3.47Å; C304-H912 VanDerWaalsContact SG-NE2 3.35Å; Y368-H912 WeakPolarHBondContact O-CA 2.94Å; Y368-H912 WeakPolarHBondContact O-CB 3.03Å; R369-H912 VanDerWaalsContact CA-C 3.42Å; R369-H912 VanDerWaalsContact CA-O 3.31Å; R369-H912 WeakPolarHBondContact CA-O 3.48Å; C370-H912 WeakPolarHBondContact CB-CE1 3.31Å; C370-H912 PolarHBondContact N-CE1 3.05Å; C370-H912 PolarHBondContact N-ND1 2.9Å; C370-H912 PolarHBondContact N-O 3.1Å; C370-H912 PolarHBondContact O-CE1 2.95Å; C370-H912 PolarHBondContact O-ND1 3.45Å; Y385-H912 WeakPolarHBondContact CB-O 3.37Å; Y385-H912 VanDerWaalsContact CD2-O 3.27Å; Y385-H912 WeakPolarHBondContact CD2-O 3.16Å; V386-H912 WeakPolarHBondContact CA-CD2 3.24Å; V386-H912 VanDerWaalsContact CA-CG 3.48Å; V386-H912 WeakPolarHBondContact CB-CD2 2.97Å; V386-H912 VanDerWaalsContact CB-NE2 3.35Å; V386-H912 WeakPolarHBondContact CB-NE2 3.45Å; V386-H912 WeakPolarHBondContact CG2-NE2 3.37Å; V386-H912 PolarHBondContact N-CD2 3.49Å; V386-H912 PolarHBondContact N-CE1 3.41Å; V386-H912 PolarHBondContact N-ND1 2.72Å; V386-H912 PolarHBondContact N-NE2 3.17Å; V386-H912 VanDerWaalsContact N-NE2 3.15Å; V386-H912 CarbonylContact O-C 3.5Å; V386-H912 VanDerWaalsContact O-C 3.27Å; V386-H912 WeakPolarHBondContact O-CA 3.36Å; V386-H912 WeakPolarHBondContact O-CB 3.38Å; V386-H912 VanDerWaalsContact O-CG 3.24Å; V386-H912 PolarHBondContact O-N 3.04Å; F388-H912 HydrophobicContact CB-CB 3.62Å; F388-H912 AromaticContact CD1-CD2 3.99Å; F388-H912 HydrophobicContact CD2-CB 3.39Å; F388-H912 AromaticContact CD2-CD2 2.96Å; F388-H912 WeakPolarHBondContact CD2-CD2 3.5Å; F388-H912 AromaticContact CD2-CG 3.35Å; F388-H912 AromaticContact CD2-NE2 3.8Å; F388-H912 AromaticContact CE1-CD2 3.87Å; F388-H912 HydrophobicContact CE2-CB 4.23Å; F388-H912 AromaticContact CE2-CD2 2.86Å; F388-H912 WeakPolarHBondContact CE2-CD2 3.36Å; F388-H912 AromaticContact CE2-CG 3.69Å; F388-H912 AromaticContact CE2-NE2 3.24Å; F388-H912 WeakPolarHBondContact CE2-NE2 3.48Å; F388-H912 HydrophobicContact CG-CB 3.59Å; F388-H912 AromaticContact CG-CD2 3.55Å; F388-H912 AromaticContact CG-CG 3.95Å; F388-H912 AromaticContact CZ-CD2 3.35Å; F388-H912 WeakPolarHBondContact CZ-CD2 3.2Å; F388-H912 AromaticContact CZ-NE2 3.67Å |
| 913 | N | 49.6 | Very low | 63.7 | Low | 28 Ų | 28 | 24.4 Ų | 24.4 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 25.7 | 160.2 | -91.6 | -24.4 | 0 | 0 | 0 | 111.9 | M319 R369 Y385 N911 | M319-N913 HydrophobicContact CE-CB 3.99Å; M319-N913 WeakPolarHBondContact CE-O 2.88Å; M319-N913 WeakPolarHBondContact CG-O 3.24Å; R369-N913 VanDerWaalsContact CD-C 3.44Å; R369-N913 WeakPolarHBondContact CD-O 3.34Å; R369-N913 PolarHBondContact NE-OD1 2.75Å; R369-N913 PolarHBondContact NH2-OD1 2.76Å; Y385-N913 VanDerWaalsContact CD1-OD1 3.28Å; Y385-N913 WeakPolarHBondContact CD1-OD1 3.11Å; Y385-N913 HydrophobicContact CD2-CB 4.38Å; Y385-N913 WeakPolarHBondContact CD2-ND2 3.5Å; Y385-N913 WeakPolarHBondContact CD2-OD1 3.33Å; Y385-N913 VanDerWaalsContact CE2-CG 3.48Å; Y385-N913 WeakPolarHBondContact CE2-ND2 3.22Å; N911-N913 HydrophobicContact CB-CB 4.24Å; N911-N913 PolarHBondContact O-N 3.17Å |
| 914 | E | 54.9 | Low | 63.8 | Low | 12 Ų | 12 | 24.6 Ų | 24.6 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | trans | -134.7 | 16.7 | -159.6 | -111.6 | 161.6 | -113.7 | 0 | 0 | 125.9 | E317 F318 M319 S367 Y368 S910 N911 | E317-E914 CarbonylContact C-O 3.45Å; E317-E914 VanDerWaalsContact C-O 3.24Å; E317-E914 CarbonylContact O-C 2.91Å; E317-E914 WeakPolarHBondContact O-CA 3.46Å; E317-E914 VanDerWaalsContact O-O 3.04Å; F318-E914 WeakPolarHBondContact CA-O 3.35Å; F318-E914 PolarHBondContact N-O 2.8Å; F318-E914 VanDerWaalsContact N-O 3.16Å; M319-E914 HydrophobicContact CB-CG 3.52Å; M319-E914 HydrophobicContact CE-CG 3.63Å; M319-E914 WeakPolarHBondContact CE-OE1 3.31Å; M319-E914 HydrophobicContact CG-CG 3.7Å; M319-E914 HydrophobicContact SD-CG 4.49Å; S367-E914 CarbonylContact C-O 3.57Å; S367-E914 WeakPolarHBondContact CA-O 3Å; S367-E914 VanDerWaalsContact CB-CG 3.4Å; S367-E914 WeakPolarHBondContact CB-O 3.44Å; S367-E914 WeakPolarHBondContact CB-OE2 3.13Å; S367-E914 CarbonylContact O-C 3.4Å; S367-E914 WeakPolarHBondContact OG-CG 3.14Å; S367-E914 PolarHBondContact OG-OE2 2.83Å; Y368-E914 PolarHBondContact N-O 2.87Å; S910-E914 WeakPolarHBondContact CA-OE2 3.42Å; S910-E914 WeakPolarHBondContact CB-OE2 3.16Å; N911-E914 VanDerWaalsContact CB-OE1 3.3Å; N911-E914 WeakPolarHBondContact CB-OE1 3.07Å; N911-E914 PolarHBondContact N-OE2 3.09Å; N911-E914 PolarHBondContact ND2-OE1 3.43Å; N911-E914 WeakPolarHBondContact O-CB 3.45Å | ||
| 915 | L | 63.2 | Low | 63.7 | Low | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -119.1 | -124.8 | -177.3 | -116.1 | -162.1 | 0 | 0 | 0 | 123.5 | I302 W316 E317 F318 L340 L355 S367 Y368 C725 I885 P906 | I302-L915 HydrophobicContact CD1-CD1 3.85Å; W316-L915 CarbonylContact C-O 3.52Å; W316-L915 HydrophobicContact CB-CB 3.3Å; W316-L915 HydrophobicContact CD2-CB 3.83Å; W316-L915 HydrophobicContact CD2-CD1 3.6Å; W316-L915 HydrophobicContact CD2-CG 4.41Å; W316-L915 HydrophobicContact CE3-CB 3.87Å; W316-L915 HydrophobicContact CE3-CD1 3.66Å; W316-L915 HydrophobicContact CE3-CG 4.33Å; W316-L915 HydrophobicContact CG-CB 3.49Å; W316-L915 VanDerWaalsContact CG-CB 3.49Å; W316-L915 HydrophobicContact CG-CD1 3.85Å; W316-L915 HydrophobicContact CG-CG 4.38Å; W316-L915 HydrophobicContact CZ3-CD1 4.38Å; E317-L915 CarbonylContact C-O 3.57Å; E317-L915 VanDerWaalsContact CA-N 3.34Å; E317-L915 WeakPolarHBondContact CA-O 3.3Å; E317-L915 PolarHBondContact N-O 3.16Å; E317-L915 PolarHBondContact O-N 3.45Å; F318-L915 PolarHBondContact N-O 2.83Å; L340-L915 HydrophobicContact CD1-CD2 3.6Å; L340-L915 WeakPolarHBondContact CD1-O 3.26Å; L340-L915 VanDerWaalsContact CG-O 3.25Å; L340-L915 WeakPolarHBondContact CG-O 3.47Å; L355-L915 HydrophobicContact CD1-CD1 3.29Å; L355-L915 HydrophobicContact CD1-CD2 3.91Å; L355-L915 HydrophobicContact CD1-CG 4.07Å; L355-L915 HydrophobicContact CG-CD1 4.17Å; S367-L915 VanDerWaalsContact O-CA 3.24Å; S367-L915 WeakPolarHBondContact O-CA 3.49Å; S367-L915 WeakPolarHBondContact O-CB 3.29Å; S367-L915 VanDerWaalsContact O-CD2 3.23Å; S367-L915 WeakPolarHBondContact O-CD2 3.24Å; S367-L915 WeakPolarHBondContact O-CG 3.13Å; S367-L915 PolarHBondContact O-N 2.66Å; Y368-L915 HydrophobicContact CD1-CG 4.27Å; Y368-L915 HydrophobicContact CD2-CD1 3.43Å; Y368-L915 VanDerWaalsContact CD2-CD1 3.43Å; Y368-L915 HydrophobicContact CD2-CG 3.77Å; Y368-L915 HydrophobicContact CE1-CD2 4.37Å; Y368-L915 HydrophobicContact CE1-CG 4.24Å; Y368-L915 HydrophobicContact CE2-CD1 3.61Å; Y368-L915 HydrophobicContact CE2-CD2 4.48Å; Y368-L915 HydrophobicContact CE2-CG 3.99Å; Y368-L915 HydrophobicContact CG-CD1 4.07Å; Y368-L915 HydrophobicContact CG-CG 3.92Å; C725-L915 PolarHBondContact SG-O 3.04Å; I885-L915 HydrophobicContact CB-CD1 4.39Å; I885-L915 HydrophobicContact CD1-CD1 3.95Å; I885-L915 HydrophobicContact CG2-CB 4.16Å; I885-L915 HydrophobicContact CG2-CD1 3.29Å; I885-L915 HydrophobicContact CG2-CD2 3.51Å; I885-L915 HydrophobicContact CG2-CG 3.78Å; P906-L915 HydrophobicContact CG-CD2 4.35Å | ||
| 916 | C | 63.5 | Low | 64.1 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -168.7 | 142.6 | 149.9 | -110.6 | 0 | 0 | 0 | 0 | 118.2 | W316 L339 L340 C725 I880 V884 I885 | W316-C916 WeakPolarHBondContact O-CA 3.27Å; W316-C916 PolarHBondContact O-SG 3.16Å; L339-C916 HydrophobicContact CD2-CB 4.06Å; L339-C916 WeakPolarHBondContact CD2-SG 3.38Å; L339-C916 VanDerWaalsContact CG-SG 3.59Å; L340-C916 HydrophobicContact CB-CB 3.35Å; L340-C916 HydrophobicContact CD1-CB 3.78Å; L340-C916 HydrophobicContact CG-CB 3.53Å; C725-C916 WeakPolarHBondContact CB-SG 3.27Å; C725-C916 WeakPolarHBondContact SG-CB 3.14Å; C725-C916 CovalentContact SG-SG 2.04Å; C725-C916 PolarHBondContact SG-SG 2.82Å; I880-C916 HydrophobicContact CD1-CB 4.37Å; V884-C916 VanDerWaalsContact O-O 3.12Å; I885-C916 WeakPolarHBondContact CG2-O 3.35Å |
| 917 | I | 62.1 | Low | 64.8 | Low | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -145.6 | 146.5 | -170.6 | -56.9 | 160.5 | 0 | 0 | 0 | 115.4 | K313 I314 W316 L348 F801 | K313-I917 PolarHBondContact NZ-O 2.02Å; I314-I917 HydrophobicContact CB-CD1 3.51Å; I314-I917 HydrophobicContact CG2-CD1 3.09Å; I314-I917 WeakPolarHBondContact O-CB 3.27Å; I314-I917 VanDerWaalsContact O-CG2 3.23Å; I314-I917 WeakPolarHBondContact O-CG2 3.14Å; W316-I917 HydrophobicContact CB-CD1 3.97Å; W316-I917 HydrophobicContact CB-CG1 3.79Å; W316-I917 HydrophobicContact CD2-CD1 3.85Å; W316-I917 HydrophobicContact CD2-CG1 4.17Å; W316-I917 HydrophobicContact CG-CD1 3.32Å; W316-I917 HydrophobicContact CG-CG1 3.27Å; W316-I917 VanDerWaalsContact NE1-CD1 3.28Å; L348-I917 HydrophobicContact CD1-CB 4.34Å; L348-I917 HydrophobicContact CD1-CG1 4.42Å; L348-I917 HydrophobicContact CD1-CG2 3.73Å; F801-I917 HydrophobicContact CE2-CD1 3.97Å; F801-I917 HydrophobicContact CZ-CD1 3.53Å; F801-I917 HydrophobicContact CZ-CG1 4.17Å | ||
| 918 | F | 64.3 | Low | 65.2 | Low | 10 Ų | 10 | 31.1 Ų | 31.1 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | trans | -124.2 | 157.4 | 161 | -67.1 | -79.4 | 0 | 0 | 0 | 113.1 | H315 L339 G352 P733 I880 D883 | H315-F918 AromaticContact CE1-CE1 3.53Å; H315-F918 AromaticContact CE1-CZ 3.28Å; H315-F918 WeakPolarHBondContact CE1-CZ 3.1Å; H315-F918 AromaticContact NE2-CE1 3.86Å; H315-F918 AromaticContact NE2-CE2 3.87Å; H315-F918 AromaticContact NE2-CZ 3.11Å; H315-F918 WeakPolarHBondContact NE2-CZ 3.45Å; L339-F918 HydrophobicContact CD1-CE1 4.38Å; L339-F918 HydrophobicContact CD1-CE2 4.27Å; L339-F918 HydrophobicContact CD1-CZ 3.63Å; L339-F918 HydrophobicContact CD2-CD2 4.45Å; L339-F918 HydrophobicContact CD2-CE2 3.37Å; L339-F918 HydrophobicContact CD2-CZ 3.56Å; L339-F918 HydrophobicContact CG-CE2 4.27Å; L339-F918 HydrophobicContact CG-CZ 3.97Å; G352-F918 WeakPolarHBondContact CA-O 3.32Å; P733-F918 HydrophobicContact CB-CD1 3.89Å; P733-F918 HydrophobicContact CB-CD2 3.75Å; P733-F918 HydrophobicContact CB-CE1 3.53Å; P733-F918 HydrophobicContact CB-CE2 3.57Å; P733-F918 HydrophobicContact CB-CG 4.02Å; P733-F918 HydrophobicContact CB-CZ 3.4Å; P733-F918 HydrophobicContact CG-CD1 3.88Å; P733-F918 HydrophobicContact CG-CD2 3.71Å; P733-F918 HydrophobicContact CG-CE1 4.07Å; P733-F918 HydrophobicContact CG-CE2 4.08Å; P733-F918 HydrophobicContact CG-CG 3.74Å; P733-F918 HydrophobicContact CG-CZ 4.2Å; I880-F918 HydrophobicContact CD1-CD2 3.35Å; I880-F918 HydrophobicContact CD1-CE2 3.39Å; I880-F918 HydrophobicContact CG1-CD2 3.56Å; I880-F918 HydrophobicContact CG1-CE2 4.02Å; D883-F918 WeakPolarHBondContact CA-O 3.3Å; D883-F918 PolarHBondContact N-O 2.79Å | ||
| 919 | P | 55.5 | Low | 66 | Low | 30 Ų | 30 | 35.9 Ų | 35.9 | 20% | 0.195 | 19% | 0.185 | C | C | . | . | trans | -83.8 | 175.9 | 174.8 | 42 | -38.7 | 0 | 0 | 0 | 110 | K313 H351 Y799 S882 D883 | K313-P919 HydrophobicContact CB-CB 3.8Å; K313-P919 HydrophobicContact CB-CG 3.95Å; K313-P919 HydrophobicContact CD-CG 3.92Å; K313-P919 HydrophobicContact CG-CB 4.08Å; K313-P919 HydrophobicContact CG-CG 3.98Å; H351-P919 WeakPolarHBondContact O-CA 3.44Å; Y799-P919 HydrophobicContact CD2-CB 4.45Å; Y799-P919 HydrophobicContact CE2-CB 4.5Å; S882-P919 VanDerWaalsContact CB-O 3.25Å; S882-P919 WeakPolarHBondContact CB-O 3.39Å; D883-P919 PolarHBondContact N-O 2.84Å | ||
| 920 | P | 64.5 | Low | 67.3 | Low | 16 Ų | 16 | 32.8 Ų | 32.8 | 10% | 0.104 | 17% | 0.168 | C | C | . | . | trans | -77.4 | 175.1 | -171.9 | 38.4 | -34.3 | 0 | 0 | 0 | 111.9 | H351 N953 L1031 | H351-P920 HydrophobicContact CB-CB 3.7Å; H351-P920 HydrophobicContact CB-CG 3.56Å; H351-P920 WeakPolarHBondContact ND1-CB 3.04Å; H351-P920 VanDerWaalsContact ND1-CG 3.25Å; H351-P920 WeakPolarHBondContact ND1-CG 3.36Å; H351-P920 WeakPolarHBondContact O-CD 3.3Å; P920-N953 CarbonylContact C-O 3.53Å; P920-N953 WeakPolarHBondContact CA-O 3.35Å; P920-N953 WeakPolarHBondContact CB-O 3.18Å; P920-L1031 HydrophobicContact CB-CD1 4.22Å; P920-L1031 HydrophobicContact CG-CD1 4.27Å | ||
| 921 | K | 68.8 | Low | 68.6 | Low | 66 Ų | 66 | 34.5 Ų | 34.5 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | trans | -140.6 | 165.5 | 167 | -62 | 174.7 | -179.4 | 159.6 | 0 | 109.1 | S882 M924 N953 N1029 | S882-K921 WeakPolarHBondContact OG-CD 3.37Å; S882-K921 WeakPolarHBondContact OG-CE 3.41Å; S882-K921 PolarHBondContact OG-NZ 2.95Å; K921-M924 HydrophobicContact CD-SD 3.94Å; K921-N953 HydrophobicContact CB-CB 4.01Å; K921-N953 PolarHBondContact N-O 2.72Å; K921-N953 CarbonylContact O-C 3.48Å; K921-N953 WeakPolarHBondContact O-CB 3.28Å; K921-N1029 PolarHBondContact O-ND2 2.81Å | ||
| 922 | P | 71.6 | Confident | 70.1 | Confident | 52 Ų | 52 | 30.9 Ų | 30.9 | 34% | 0.338 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -50.6 | 152.3 | 156.2 | -22.1 | 34.3 | 0 | 0 | 0 | 110.1 | M924 N953 L1031 | P922-M924 PolarHBondContact O-N 2.87Å; P922-N953 PolarHBondContact O-ND2 3.2Å; P922-N953 VanDerWaalsContact O-ND2 3.15Å; P922-L1031 HydrophobicContact CB-CB 4.32Å; P922-L1031 HydrophobicContact CG-CB 4.19Å |
| 923 | I | 73.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -62.8 | 132.1 | 177.9 | -172 | 175.5 | 0 | 0 | 0 | 108.5 | I925 I947 H952 L957 A1027 N1029 G1032 S1033 I1671 | I923-I925 HydrophobicContact CD1-CG1 4.02Å; I923-I925 WeakPolarHBondContact CD1-O 3.22Å; I923-I925 HydrophobicContact CG1-CG1 4.01Å; I923-I925 WeakPolarHBondContact CG1-O 3.36Å; I923-I947 HydrophobicContact CD1-CD1 3.51Å; I923-I947 HydrophobicContact CD1-CG2 4.14Å; I923-H952 WeakPolarHBondContact CB-O 3.22Å; I923-L957 HydrophobicContact CD1-CD1 3.61Å; I923-L957 HydrophobicContact CG2-CD1 4.24Å; I923-A1027 WeakPolarHBondContact CG2-O 2.88Å; I923-N1029 HydrophobicContact CB-CB 4.31Å; I923-N1029 HydrophobicContact CG2-CB 4.17Å; I923-N1029 PolarHBondContact N-ND2 2.92Å; I923-N1029 VanDerWaalsContact N-ND2 3.15Å; I923-G1032 PolarHBondContact N-O 2.84Å; I923-S1033 WeakPolarHBondContact O-CA 3.33Å; I923-S1033 WeakPolarHBondContact O-CB 3.08Å; I923-I1671 VanDerWaalsContact O-O 3.06Å | ||
| 924 | M | 74.4 | Confident | 73.4 | Confident | 79 Ų | 79 | 33.9 Ų | 33.9 | 39% | 0.389 | 17% | 0.173 | S | C | . | . | trans | -106.4 | 12.7 | -174.3 | -68.6 | -173.1 | 68 | 0 | 0 | 112.5 | K921 P922 N953 T1672 | K921-M924 HydrophobicContact CD-SD 3.94Å; P922-M924 PolarHBondContact O-N 2.87Å; M924-N953 PolarHBondContact N-ND2 2.78Å; M924-T1672 VanDerWaalsContact C-CG2 3.47Å; M924-T1672 WeakPolarHBondContact O-CG2 3.47Å | ||
| 925 | I | 76.3 | Confident | 74.7 | Confident | 58 Ų | 58 | 36 Ų | 36 | 30% | 0.297 | 19% | 0.185 | S | C | . | . | trans | -141.5 | 165.7 | 177.7 | 62.9 | 165.1 | 0 | 0 | 0 | 109.7 | I923 I947 E951 | I923-I925 HydrophobicContact CD1-CG1 4.02Å; I923-I925 WeakPolarHBondContact CD1-O 3.22Å; I923-I925 HydrophobicContact CG1-CG1 4.01Å; I923-I925 WeakPolarHBondContact CG1-O 3.36Å; I925-I947 HydrophobicContact CD1-CG2 3.82Å; I925-I947 HydrophobicContact CG1-CG2 4.39Å; I925-E951 HydrophobicContact CD1-CB 3.46Å; I925-E951 VanDerWaalsContact CD1-CB 3.46Å; I925-E951 HydrophobicContact CD1-CG 4.05Å; I925-E951 HydrophobicContact CG1-CB 4.26Å | ||
| 926 | N | 78.5 | Confident | 75.7 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | trans | -113.8 | 173.9 | 159.1 | -164.4 | 3.8 | 0 | 0 | 0 | 106.3 | L1025 A1027 T1036 K1037 L1039 | N926-L1025 PolarHBondContact ND2-O 2.75Å; N926-A1027 VanDerWaalsContact OD1-CB 3.26Å; N926-A1027 WeakPolarHBondContact OD1-CB 3.2Å; N926-A1027 PolarHBondContact OD1-N 2.76Å; N926-T1036 HydrophobicContact CB-CG2 3.62Å; N926-K1037 PolarHBondContact ND2-O 3.36Å; N926-L1039 HydrophobicContact CB-CD1 4.5Å; N926-L1039 WeakPolarHBondContact ND2-CD1 3.28Å | ||
| 927 | T | 77.7 | Confident | 76.7 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | trans | -64.2 | 156.2 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | W944 K945 L1025 L1039 | T927-W944 HydrophobicContact CG2-CB 4.3Å; T927-K945 WeakPolarHBondContact CB-O 3.37Å; T927-K945 PolarHBondContact OG1-O 3.06Å; T927-L1025 HydrophobicContact CG2-CD2 3.43Å; T927-L1025 VanDerWaalsContact CG2-CD2 3.43Å; T927-L1025 HydrophobicContact CG2-CG 4.2Å; T927-L1039 HydrophobicContact CG2-CD1 3.58Å; T927-L1039 HydrophobicContact CG2-CD2 4.42Å; T927-L1039 VanDerWaalsContact O-CD1 3.3Å; T927-L1039 WeakPolarHBondContact O-CD1 2.9Å; T927-L1039 WeakPolarHBondContact O-CD2 3.14Å | ||
| 928 | D | 77.3 | Confident | 77.9 | Confident | 114 Ų | 114 | 48.2 Ų | 48.2 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -93.3 | -21.4 | 179.2 | 54.6 | -5.7 | 0 | 0 | 0 | 112.3 | K945 | D928-K945 WeakPolarHBondContact OD1-CD 3.47Å; D928-K945 IonicContact OD1-NZ 2.97Å; D928-K945 PolarHBondContact OD1-NZ 3.06Å; D928-K945 IonicContact OD2-NZ 3.88Å; D928-K945 PolarHBondContact OD2-NZ 3.49Å |
| 929 | Y | 83.6 | Confident | 79 | Confident | 101 Ų | 101 | 47.9 Ų | 47.9 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -121.7 | 119.3 | -171.4 | 179.7 | -90.1 | 0 | 0 | 0 | 111.2 | I931 W944 K945 | Y929-I931 HydrophobicContact CE1-CD1 4.4Å; Y929-I931 HydrophobicContact CE1-CG1 4.02Å; Y929-I931 HydrophobicContact CE1-CG2 4.21Å; Y929-I931 HydrophobicContact CE2-CG2 3.92Å; Y929-I931 VanDerWaalsContact OH-CD1 3.3Å; Y929-I931 WeakPolarHBondContact OH-CD1 2.38Å; Y929-W944 WeakPolarHBondContact O-CA 3.48Å; Y929-W944 WeakPolarHBondContact O-CB 3.42Å; Y929-K945 HydrophobicContact CD1-CB 4.2Å; Y929-K945 HydrophobicContact CG-CB 4.39Å; Y929-K945 PolarHBondContact O-N 3.46Å | ||
| 930 | L | 85.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.4 | 165.7 | 167.2 | 67.3 | 0 | 0 | 0 | 106.9 | V932 I942 Q943 W944 V1023 L1025 L1039 F1041 | L930-V932 HydrophobicContact CD1-CG2 4.31Å; L930-I942 HydrophobicContact CD1-CG2 3.84Å; L930-Q943 CarbonylContact C-O 3.57Å; L930-Q943 WeakPolarHBondContact CA-O 3.09Å; L930-W944 HydrophobicContact CD1-CB 4.47Å; L930-V1023 HydrophobicContact CD2-CG1 4.5Å; L930-L1025 HydrophobicContact CB-CD2 4.21Å; L930-L1025 HydrophobicContact CD1-CB 4.35Å; L930-L1025 HydrophobicContact CD1-CD2 4.09Å; L930-L1025 HydrophobicContact CD2-CB 3.85Å; L930-L1039 HydrophobicContact CB-CB 4.15Å; L930-L1039 HydrophobicContact CB-CD2 3.88Å; L930-L1039 HydrophobicContact CD2-CB 4.01Å; L930-F1041 HydrophobicContact CB-CB 4.44Å; L930-F1041 HydrophobicContact CD2-CB 3.61Å; L930-F1041 HydrophobicContact CG-CB 3.71Å; L930-F1041 WeakPolarHBondContact O-CD2 3.22Å; L930-F1041 WeakPolarHBondContact O-CG 3.17Å |
| 931 | I | 86.9 | Confident | 81.8 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.205 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.3 | 167.4 | 64.8 | 165.2 | 0 | 0 | 0 | 110.1 | Y929 Y933 Q943 F1041 | Y929-I931 HydrophobicContact CE1-CD1 4.4Å; Y929-I931 HydrophobicContact CE1-CG1 4.02Å; Y929-I931 HydrophobicContact CE1-CG2 4.21Å; Y929-I931 HydrophobicContact CE2-CG2 3.92Å; Y929-I931 VanDerWaalsContact OH-CD1 3.3Å; Y929-I931 WeakPolarHBondContact OH-CD1 2.38Å; I931-Y933 HydrophobicContact CD1-CD1 3.71Å; I931-Y933 HydrophobicContact CD1-CE1 3.48Å; I931-Y933 VanDerWaalsContact CD1-CE1 3.48Å; I931-Y933 HydrophobicContact CG1-CD1 4.06Å; I931-Y933 HydrophobicContact CG1-CE1 4Å; I931-Q943 HydrophobicContact CD1-CB 4.41Å; I931-Q943 HydrophobicContact CG1-CB 3.89Å; I931-Q943 HydrophobicContact CG1-CG 4.49Å; I931-Q943 PolarHBondContact N-O 2.66Å; I931-Q943 PolarHBondContact O-N 3.07Å; I931-Q943 VanDerWaalsContact O-O 3.14Å; I931-F1041 HydrophobicContact CB-CZ 4.34Å; I931-F1041 HydrophobicContact CG2-CE2 4.25Å; I931-F1041 HydrophobicContact CG2-CZ 4.34Å |
| 932 | V | 86.5 | Confident | 82.8 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.8 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | L930 L940 I941 I942 V1023 F1041 G1043 | L930-V932 HydrophobicContact CD1-CG2 4.31Å; V932-L940 HydrophobicContact CG1-CD1 3.54Å; V932-L940 HydrophobicContact CG1-CD2 4.3Å; V932-L940 HydrophobicContact CG1-CG 3.94Å; V932-I941 WeakPolarHBondContact CA-O 3.16Å; V932-I942 HydrophobicContact CG1-CG1 4.42Å; V932-I942 HydrophobicContact CG2-CG2 4.47Å; V932-V1023 HydrophobicContact CB-CG2 4.4Å; V932-V1023 HydrophobicContact CG1-CG2 3.99Å; V932-V1023 HydrophobicContact CG2-CB 3.68Å; V932-V1023 HydrophobicContact CG2-CG1 4.46Å; V932-V1023 HydrophobicContact CG2-CG2 3.53Å; V932-F1041 HydrophobicContact CB-CD1 3.74Å; V932-F1041 HydrophobicContact CB-CE1 4.18Å; V932-F1041 HydrophobicContact CG2-CB 4.31Å; V932-F1041 HydrophobicContact CG2-CD1 3.81Å; V932-F1041 HydrophobicContact CG2-CG 4.45Å; V932-F1041 VanDerWaalsContact N-CD1 3.33Å; V932-F1041 VanDerWaalsContact N-CE1 3.29Å; V932-G1043 WeakPolarHBondContact O-CA 2.75Å |
| 933 | Y | 88.9 | Confident | 83.7 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 170 | -177.1 | 63.3 | -78.9 | 0 | 0 | 0 | 109.1 | I931 I941 Q943 R1044 | I931-Y933 HydrophobicContact CD1-CD1 3.71Å; I931-Y933 HydrophobicContact CD1-CE1 3.48Å; I931-Y933 VanDerWaalsContact CD1-CE1 3.48Å; I931-Y933 HydrophobicContact CG1-CD1 4.06Å; I931-Y933 HydrophobicContact CG1-CE1 4Å; Y933-I941 HydrophobicContact CD1-CB 4.28Å; Y933-I941 HydrophobicContact CD1-CG2 4.33Å; Y933-I941 HydrophobicContact CD2-CB 4.29Å; Y933-I941 HydrophobicContact CD2-CD1 3.93Å; Y933-I941 HydrophobicContact CE1-CB 4.03Å; Y933-I941 HydrophobicContact CE1-CG2 3.64Å; Y933-I941 HydrophobicContact CE2-CB 4.05Å; Y933-I941 HydrophobicContact CE2-CD1 3.4Å; Y933-I941 VanDerWaalsContact CE2-CD1 3.4Å; Y933-I941 HydrophobicContact CE2-CG1 4.34Å; Y933-I941 HydrophobicContact CE2-CG2 4.15Å; Y933-I941 HydrophobicContact CG-CB 4.4Å; Y933-I941 PolarHBondContact N-O 3.47Å; Y933-I941 CarbonylContact O-C 2.83Å; Y933-I941 VanDerWaalsContact O-CA 3.32Å; Y933-I941 WeakPolarHBondContact O-CA 3.16Å; Y933-I941 WeakPolarHBondContact O-CB 3.09Å; Y933-I941 PolarHBondContact O-N 2.87Å; Y933-I941 VanDerWaalsContact O-O 3.04Å; Y933-Q943 HydrophobicContact CE1-CB 4.2Å; Y933-Q943 PolarHBondContact OH-OE1 3.44Å; Y933-R1044 CarbonylContact C-O 3.49Å; Y933-R1044 WeakPolarHBondContact CA-O 3.1Å |
| 934 | G | 83.2 | Confident | 84.4 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 21% | 0.206 | C | C | . | . | trans | -133.1 | 160.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | N939 R1044 G1046 | G934-N939 WeakPolarHBondContact CA-OD1 3.45Å; G934-R1044 PolarHBondContact N-O 3.11Å; G934-G1046 VanDerWaalsContact C-CA 3.5Å | ||
| 935 | N | 83.1 | Confident | 84.9 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -140.4 | 15.1 | -175.9 | 72.3 | -9.5 | 0 | 0 | 0 | 112.8 | N939 I941 Q1194 | N935-N939 PolarHBondContact N-OD1 3.18Å; N935-N939 PolarHBondContact OD1-ND2 3.09Å; N935-I941 HydrophobicContact CB-CD1 4.29Å; N935-I941 VanDerWaalsContact OD1-CD1 3.27Å; N935-I941 WeakPolarHBondContact OD1-CD1 3.14Å; N935-Q1194 PolarHBondContact O-NE2 3.32Å; N935-Q1194 PolarHBondContact O-OE1 2.69Å |
| 936 | K | 83.5 | Confident | 85.2 | Confident | 100 Ų | 100 | 43 Ų | 43 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -150.9 | 158.8 | 173.1 | -58.7 | 172.8 | -164 | 149.7 | 0 | 108.2 | Y938 N939 E991 G1046 | K936-Y938 PolarHBondContact O-N 3.28Å; K936-N939 HydrophobicContact CB-CB 4.4Å; K936-N939 PolarHBondContact N-OD1 2.68Å; K936-N939 VanDerWaalsContact N-OD1 3.13Å; K936-N939 PolarHBondContact O-N 3.5Å; K936-N939 PolarHBondContact O-OD1 3.03Å; K936-N939 VanDerWaalsContact O-OD1 3.14Å; K936-E991 IonicContact NZ-OE1 3.89Å; K936-E991 PolarHBondContact NZ-OE1 3.25Å; K936-E991 IonicContact NZ-OE2 3.67Å; K936-G1046 WeakPolarHBondContact O-CA 2.55Å |
| 937 | P | 84.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 140.2 | 169.1 | -24 | 34.5 | 0 | 0 | 0 | 110.6 | N939 T1017 D1048 Y1195 | P937-N939 PolarHBondContact O-N 2.87Å; P937-N939 VanDerWaalsContact O-N 3.16Å; P937-T1017 HydrophobicContact CB-CG2 3.98Å; P937-D1048 HydrophobicContact CB-CB 3.91Å; P937-D1048 HydrophobicContact CG-CB 3.97Å; P937-D1048 VanDerWaalsContact CG-OD1 3.27Å; P937-D1048 WeakPolarHBondContact CG-OD1 3.49Å; P937-Y1195 WeakPolarHBondContact CD-OH 3.02Å |
| 938 | Y | 87.1 | Confident | 84.9 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 45% | 0.451 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24.8 | 176.7 | -40.5 | -82.5 | 0 | 0 | 0 | 115.2 | K936 T993 I1015 T1017 | K936-Y938 PolarHBondContact O-N 3.28Å; Y938-T993 WeakPolarHBondContact O-CA 3.45Å; Y938-I1015 WeakPolarHBondContact CA-O 2.95Å; Y938-I1015 WeakPolarHBondContact CB-O 3.23Å; Y938-I1015 WeakPolarHBondContact CD1-O 3.3Å; Y938-T1017 HydrophobicContact CD1-CG2 3.71Å; Y938-T1017 HydrophobicContact CD2-CG2 4.12Å; Y938-T1017 HydrophobicContact CE1-CG2 3.58Å; Y938-T1017 HydrophobicContact CE2-CG2 3.99Å; Y938-T1017 HydrophobicContact CG-CG2 3.96Å |
| 939 | N | 88.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -114.7 | 146.2 | 171.3 | 92.9 | -12.5 | 0 | 0 | 0 | 114.3 | G934 N935 K936 P937 E991 L992 S1045 G1046 | G934-N939 WeakPolarHBondContact CA-OD1 3.45Å; N935-N939 PolarHBondContact N-OD1 3.18Å; N935-N939 PolarHBondContact OD1-ND2 3.09Å; K936-N939 HydrophobicContact CB-CB 4.4Å; K936-N939 PolarHBondContact N-OD1 2.68Å; K936-N939 VanDerWaalsContact N-OD1 3.13Å; K936-N939 PolarHBondContact O-N 3.5Å; K936-N939 PolarHBondContact O-OD1 3.03Å; K936-N939 VanDerWaalsContact O-OD1 3.14Å; P937-N939 PolarHBondContact O-N 2.87Å; P937-N939 VanDerWaalsContact O-N 3.16Å; N939-E991 HydrophobicContact CB-CG 4.35Å; N939-E991 PolarHBondContact ND2-OE1 3.1Å; N939-L992 CarbonylContact C-O 3.53Å; N939-L992 WeakPolarHBondContact CA-O 3.31Å; N939-S1045 VanDerWaalsContact O-CA 3.3Å; N939-S1045 WeakPolarHBondContact O-CA 3.44Å; N939-S1045 VanDerWaalsContact O-CB 3.31Å; N939-S1045 WeakPolarHBondContact O-CB 3.45Å; N939-G1046 PolarHBondContact O-N 2.96Å | ||
| 940 | L | 87.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 109.3 | 170.6 | -170.1 | 73.4 | 0 | 0 | 0 | 109 | V932 I942 I963 L992 I1015 Y1021 | V932-L940 HydrophobicContact CG1-CD1 3.54Å; V932-L940 HydrophobicContact CG1-CD2 4.3Å; V932-L940 HydrophobicContact CG1-CG 3.94Å; L940-I942 HydrophobicContact CD2-CG1 4.49Å; L940-I942 HydrophobicContact CG-CG1 4.49Å; L940-I963 HydrophobicContact CD2-CG2 4.31Å; L940-L992 HydrophobicContact CB-CB 4.48Å; L940-L992 PolarHBondContact N-O 2.51Å; L940-L992 PolarHBondContact O-N 2.81Å; L940-I1015 HydrophobicContact CB-CD1 3.78Å; L940-I1015 HydrophobicContact CB-CG1 4Å; L940-I1015 HydrophobicContact CB-CG2 4.05Å; L940-I1015 HydrophobicContact CD2-CD1 4.02Å; L940-Y1021 HydrophobicContact CD1-CD2 3.67Å; L940-Y1021 HydrophobicContact CD1-CE2 4.41Å; L940-Y1021 HydrophobicContact CD1-CG 4.05Å; L940-Y1021 HydrophobicContact CD2-CD1 3.97Å; L940-Y1021 HydrophobicContact CD2-CD2 3.97Å; L940-Y1021 HydrophobicContact CD2-CG 3.62Å; L940-Y1021 HydrophobicContact CG-CD2 4.4Å; L940-Y1021 HydrophobicContact CG-CG 4.49Å |
| 941 | I | 90.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.2 | 173.9 | -57.5 | 161 | 0 | 0 | 0 | 108.6 | V932 Y933 N935 Q943 R989 I990 E991 | V932-I941 WeakPolarHBondContact CA-O 3.16Å; Y933-I941 HydrophobicContact CD1-CB 4.28Å; Y933-I941 HydrophobicContact CD1-CG2 4.33Å; Y933-I941 HydrophobicContact CD2-CB 4.29Å; Y933-I941 HydrophobicContact CD2-CD1 3.93Å; Y933-I941 HydrophobicContact CE1-CB 4.03Å; Y933-I941 HydrophobicContact CE1-CG2 3.64Å; Y933-I941 HydrophobicContact CE2-CB 4.05Å; Y933-I941 HydrophobicContact CE2-CD1 3.4Å; Y933-I941 VanDerWaalsContact CE2-CD1 3.4Å; Y933-I941 HydrophobicContact CE2-CG1 4.34Å; Y933-I941 HydrophobicContact CE2-CG2 4.15Å; Y933-I941 HydrophobicContact CG-CB 4.4Å; Y933-I941 PolarHBondContact N-O 3.47Å; Y933-I941 CarbonylContact O-C 2.83Å; Y933-I941 VanDerWaalsContact O-CA 3.32Å; Y933-I941 WeakPolarHBondContact O-CA 3.16Å; Y933-I941 WeakPolarHBondContact O-CB 3.09Å; Y933-I941 PolarHBondContact O-N 2.87Å; Y933-I941 VanDerWaalsContact O-O 3.04Å; N935-I941 HydrophobicContact CB-CD1 4.29Å; N935-I941 VanDerWaalsContact OD1-CD1 3.27Å; N935-I941 WeakPolarHBondContact OD1-CD1 3.14Å; I941-Q943 HydrophobicContact CG2-CB 4.46Å; I941-R989 HydrophobicContact CG2-CG 3.77Å; I941-I990 CarbonylContact C-O 3.44Å; I941-I990 VanDerWaalsContact CA-O 3.28Å; I941-I990 WeakPolarHBondContact CA-O 3.07Å; I941-E991 HydrophobicContact CG1-CB 4.23Å; I941-E991 HydrophobicContact CG1-CG 3.94Å |
| 942 | I | 89.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.6 | 173.3 | -56.1 | 175.6 | 0 | 0 | 0 | 105.9 | L930 V932 L940 W944 L961 I963 R989 I990 L992 V1023 | L930-I942 HydrophobicContact CD1-CG2 3.84Å; V932-I942 HydrophobicContact CG1-CG1 4.42Å; V932-I942 HydrophobicContact CG2-CG2 4.47Å; L940-I942 HydrophobicContact CD2-CG1 4.49Å; L940-I942 HydrophobicContact CG-CG1 4.49Å; I942-W944 HydrophobicContact CB-CZ3 4.49Å; I942-W944 HydrophobicContact CG2-CE3 4.02Å; I942-W944 HydrophobicContact CG2-CZ3 4Å; I942-L961 HydrophobicContact CG2-CD1 4.35Å; I942-L961 HydrophobicContact CG2-CD2 3.81Å; I942-I963 HydrophobicContact CD1-CD1 3.52Å; I942-I963 HydrophobicContact CD1-CG1 3.93Å; I942-R989 CarbonylContact O-C 3.54Å; I942-R989 WeakPolarHBondContact O-CA 3.2Å; I942-I990 PolarHBondContact N-O 3.27Å; I942-I990 PolarHBondContact O-N 3.42Å; I942-L992 HydrophobicContact CD1-CD1 3.83Å; I942-V1023 HydrophobicContact CD1-CG1 4.08Å; I942-V1023 HydrophobicContact CD1-CG2 3.87Å; I942-V1023 HydrophobicContact CG1-CG2 4.15Å; I942-V1023 HydrophobicContact CG2-CG1 3.96Å |
| 943 | Q | 90.2 | Very high | 81.4 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.1 | -175.2 | -177.6 | 178.8 | -13 | 0 | 0 | 110.4 | L930 I931 Y933 I941 D988 R989 | L930-Q943 CarbonylContact C-O 3.57Å; L930-Q943 WeakPolarHBondContact CA-O 3.09Å; I931-Q943 HydrophobicContact CD1-CB 4.41Å; I931-Q943 HydrophobicContact CG1-CB 3.89Å; I931-Q943 HydrophobicContact CG1-CG 4.49Å; I931-Q943 PolarHBondContact N-O 2.66Å; I931-Q943 PolarHBondContact O-N 3.07Å; I931-Q943 VanDerWaalsContact O-O 3.14Å; Y933-Q943 HydrophobicContact CE1-CB 4.2Å; Y933-Q943 PolarHBondContact OH-OE1 3.44Å; I941-Q943 HydrophobicContact CG2-CB 4.46Å; Q943-D988 CarbonylContact C-O 2.72Å; Q943-D988 WeakPolarHBondContact CA-O 3.38Å; Q943-R989 HydrophobicContact CB-CG 4.44Å; Q943-R989 HydrophobicContact CG-CB 4.38Å |
| 944 | W | 88.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.5 | -179.8 | 63.5 | 92.7 | 0 | 0 | 0 | 110.3 | T927 Y929 L930 I942 P946 Y959 L961 V982 K987 D988 I990 L1025 | T927-W944 HydrophobicContact CG2-CB 4.3Å; Y929-W944 WeakPolarHBondContact O-CA 3.48Å; Y929-W944 WeakPolarHBondContact O-CB 3.42Å; L930-W944 HydrophobicContact CD1-CB 4.47Å; I942-W944 HydrophobicContact CB-CZ3 4.49Å; I942-W944 HydrophobicContact CG2-CE3 4.02Å; I942-W944 HydrophobicContact CG2-CZ3 4Å; W944-P946 WeakPolarHBondContact O-CD 3.19Å; W944-Y959 AromaticContact CE2-CD2 3.78Å; W944-Y959 AromaticContact CZ2-CD2 3.8Å; W944-Y959 HydrophobicContact CZ2-CD2 3.8Å; W944-Y959 HydrophobicContact CZ2-CE2 4.35Å; W944-Y959 HydrophobicContact CZ2-CG 4.35Å; W944-Y959 AromaticContact NE1-CD1 4Å; W944-Y959 AromaticContact NE1-CD2 3.3Å; W944-Y959 VanDerWaalsContact NE1-CD2 3.3Å; W944-Y959 AromaticContact NE1-CE1 3.93Å; W944-Y959 AromaticContact NE1-CE2 3.18Å; W944-Y959 AromaticContact NE1-CG 3.72Å; W944-Y959 AromaticContact NE1-CZ 3.55Å; W944-L961 HydrophobicContact CH2-CD1 4.13Å; W944-L961 HydrophobicContact CZ3-CD1 3.99Å; W944-V982 HydrophobicContact CH2-CB 4.48Å; W944-V982 HydrophobicContact CH2-CG1 4.19Å; W944-V982 HydrophobicContact CH2-CG2 3.92Å; W944-V982 HydrophobicContact CZ2-CB 4.32Å; W944-V982 HydrophobicContact CZ2-CG1 4.01Å; W944-V982 HydrophobicContact CZ2-CG2 4.19Å; W944-K987 HydrophobicContact CZ2-CB 4.48Å; W944-K987 WeakPolarHBondContact CZ2-O 2.87Å; W944-K987 PolarHBondContact NE1-O 3.3Å; W944-K987 VanDerWaalsContact NE1-O 3.07Å; W944-D988 PolarHBondContact N-O 2.75Å; W944-D988 WeakPolarHBondContact O-CA 3.36Å; W944-D988 VanDerWaalsContact O-O 3.12Å; W944-I990 HydrophobicContact CH2-CD1 3.78Å; W944-I990 HydrophobicContact CH2-CG1 3.83Å; W944-I990 HydrophobicContact CZ3-CD1 4.27Å; W944-I990 HydrophobicContact CZ3-CG1 4.16Å; W944-L1025 HydrophobicContact CB-CD2 3.31Å; W944-L1025 HydrophobicContact CD2-CD1 4.44Å; W944-L1025 HydrophobicContact CD2-CD2 4.03Å; W944-L1025 HydrophobicContact CG-CD2 3.47Å; W944-L1025 VanDerWaalsContact CG-CD2 3.47Å |
| 945 | K | 85.5 | Confident | 79.1 | Confident | 106 Ų | 106 | 33.7 Ų | 33.7 | 46% | 0.461 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -78.8 | 121.1 | 176.4 | -179.7 | 179.9 | 163 | -161.9 | 0 | 107.7 | T927 D928 Y929 I947 | T927-K945 WeakPolarHBondContact CB-O 3.37Å; T927-K945 PolarHBondContact OG1-O 3.06Å; D928-K945 WeakPolarHBondContact OD1-CD 3.47Å; D928-K945 IonicContact OD1-NZ 2.97Å; D928-K945 PolarHBondContact OD1-NZ 3.06Å; D928-K945 IonicContact OD2-NZ 3.88Å; D928-K945 PolarHBondContact OD2-NZ 3.49Å; Y929-K945 HydrophobicContact CD1-CB 4.2Å; Y929-K945 HydrophobicContact CG-CB 4.39Å; Y929-K945 PolarHBondContact O-N 3.46Å; K945-I947 PolarHBondContact O-N 3.37Å |
| 946 | P | 82.2 | Confident | 78.2 | Confident | 42 Ų | 42 | 31 Ų | 31 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 132.4 | 171.6 | -26.1 | 36.8 | 0 | 0 | 0 | 109.4 | W944 D948 Y959 D988 | W944-P946 WeakPolarHBondContact O-CD 3.19Å; P946-D948 PolarHBondContact O-N 2.68Å; P946-Y959 WeakPolarHBondContact CA-OH 3.49Å; P946-D988 HydrophobicContact CG-CB 3.64Å |
| 947 | I | 80 | Confident | 77.9 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 131.6 | 174.5 | -60.4 | -175.6 | 0 | 0 | 0 | 107.8 | I923 I925 K945 E951 H952 L957 Y959 A1027 | I923-I947 HydrophobicContact CD1-CD1 3.51Å; I923-I947 HydrophobicContact CD1-CG2 4.14Å; I925-I947 HydrophobicContact CD1-CG2 3.82Å; I925-I947 HydrophobicContact CG1-CG2 4.39Å; K945-I947 PolarHBondContact O-N 3.37Å; I947-E951 HydrophobicContact CG2-CB 3.79Å; I947-E951 HydrophobicContact CG2-CG 4.46Å; I947-E951 WeakPolarHBondContact CG2-OE2 3.43Å; I947-H952 CovalentContact O-NE2 1.79Å; I947-H952 PolarHBondContact O-NE2 2.74Å; I947-L957 HydrophobicContact CB-CD2 3.82Å; I947-L957 HydrophobicContact CD1-CD2 4.1Å; I947-L957 HydrophobicContact CG1-CD2 4.23Å; I947-Y959 HydrophobicContact CD1-CE1 4.36Å; I947-Y959 HydrophobicContact CG1-CE1 4.22Å; I947-Y959 PolarHBondContact N-OH 2.89Å; I947-A1027 HydrophobicContact CD1-CB 3.48Å; I947-A1027 VanDerWaalsContact CD1-CB 3.48Å |
| 948 | D | 71.4 | Confident | 77.7 | Confident | 74 Ų | 74 | 25.2 Ų | 25.2 | 40% | 0.396 | 12% | 0.122 | S | C | . | . | P | Polyproline II helix | trans | -70.5 | 134.1 | -170.9 | -169.8 | 6.1 | 0 | 0 | 0 | 108.1 | K347 P946 I950 E951 H952 | K347-D948 IonicContact NZ-OD1 3.28Å; K347-D948 PolarHBondContact NZ-OD1 3.31Å; K347-D948 IonicContact NZ-OD2 3.55Å; K347-D948 PolarHBondContact NZ-OD2 2.99Å; P946-D948 PolarHBondContact O-N 2.68Å; D948-I950 HydrophobicContact CB-CG2 3.99Å; D948-I950 PolarHBondContact O-N 2.84Å; D948-E951 HydrophobicContact CB-CG 4.34Å; D948-E951 PolarHBondContact N-OE2 2.83Å; D948-E951 VanDerWaalsContact N-OE2 3.16Å; D948-E951 PolarHBondContact O-N 3.46Å; D948-H952 PolarHBondContact O-CD2 2.91Å |
| 949 | P | 68.3 | Low | 77.6 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 12% | 0.117 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -16.4 | -170.4 | -38.9 | 41.4 | 0 | 0 | 0 | 118.9 | K349 F760 R762 E951 W985 | K349-P949 HydrophobicContact CD-CB 4.05Å; K349-P949 HydrophobicContact CG-CB 4.26Å; F760-P949 HydrophobicContact CD1-CB 3.85Å; F760-P949 HydrophobicContact CE1-CB 4.15Å; F760-P949 HydrophobicContact CE1-CG 4.4Å; R762-P949 VanDerWaalsContact NH1-CA 3.29Å; R762-P949 PolarHBondContact NH2-O 2.61Å; P949-E951 VanDerWaalsContact C-N 3.32Å; P949-W985 HydrophobicContact CG-CE3 4.4Å; P949-W985 HydrophobicContact CG-CH2 3.96Å; P949-W985 HydrophobicContact CG-CZ3 3.6Å |
| 950 | I | 63.2 | Low | 77.3 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 7% | 0.072 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31.9 | 170 | -164.8 | -177 | 0 | 0 | 0 | 113.9 | I346 K347 Y756 H881 V884 D948 | I346-I950 WeakPolarHBondContact O-CD1 3.46Å; I346-I950 WeakPolarHBondContact O-CG1 3.38Å; K347-I950 HydrophobicContact CB-CG1 4.48Å; K347-I950 HydrophobicContact CD-CB 3.74Å; K347-I950 HydrophobicContact CD-CG1 4.36Å; K347-I950 HydrophobicContact CG-CB 3.28Å; K347-I950 HydrophobicContact CG-CD1 3.94Å; K347-I950 HydrophobicContact CG-CG1 3.42Å; K347-I950 VanDerWaalsContact CG-CG1 3.42Å; K347-I950 HydrophobicContact CG-CG2 4.48Å; K347-I950 VanDerWaalsContact NZ-CG2 3.28Å; Y756-I950 VanDerWaalsContact OH-CD1 3.32Å; Y756-I950 WeakPolarHBondContact OH-CD1 3.2Å; H881-I950 HydrophobicContact CB-CG1 4.3Å; H881-I950 WeakPolarHBondContact CD2-CD1 3.49Å; H881-I950 VanDerWaalsContact CD2-CG1 3.49Å; H881-I950 WeakPolarHBondContact CD2-CG1 3.48Å; H881-I950 PolarHBondContact ND1-O 2.75Å; H881-I950 VanDerWaalsContact ND1-O 3.14Å; H881-I950 WeakPolarHBondContact NE2-CD1 3Å; V884-I950 HydrophobicContact CG2-CG1 3.93Å; D948-I950 HydrophobicContact CB-CG2 3.99Å; D948-I950 PolarHBondContact O-N 2.84Å |
| 951 | E | 71.8 | Confident | 77.1 | Confident | 64 Ų | 64 | 20.8 Ų | 20.8 | 30% | 0.299 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -11.1 | -166.4 | -40.2 | 174.5 | 112.9 | 0 | 0 | 113.3 | I925 I947 D948 P949 N953 | I925-E951 HydrophobicContact CD1-CB 3.46Å; I925-E951 VanDerWaalsContact CD1-CB 3.46Å; I925-E951 HydrophobicContact CD1-CG 4.05Å; I925-E951 HydrophobicContact CG1-CB 4.26Å; I947-E951 HydrophobicContact CG2-CB 3.79Å; I947-E951 HydrophobicContact CG2-CG 4.46Å; I947-E951 WeakPolarHBondContact CG2-OE2 3.43Å; D948-E951 HydrophobicContact CB-CG 4.34Å; D948-E951 PolarHBondContact N-OE2 2.83Å; D948-E951 VanDerWaalsContact N-OE2 3.16Å; D948-E951 PolarHBondContact O-N 3.46Å; P949-E951 VanDerWaalsContact C-N 3.32Å; E951-N953 PolarHBondContact O-N 2.6Å |
| 952 | H | 73.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -61 | -18.8 | -178.8 | -64.3 | -150.7 | 0 | 0 | 0 | 111.7 | R762 I923 I947 D948 G954 L957 W985 N1029 | R762-H952 VanDerWaalsContact CZ-CG 3.45Å; R762-H952 PolarHBondContact NH1-CE1 3.24Å; R762-H952 VanDerWaalsContact NH1-CE1 3.34Å; R762-H952 PolarHBondContact NH1-ND1 2.92Å; R762-H952 VanDerWaalsContact NH2-CB 3.28Å; R762-H952 VanDerWaalsContact NH2-CG 3.28Å; R762-H952 PolarHBondContact NH2-ND1 3.33Å; I923-H952 WeakPolarHBondContact CB-O 3.22Å; I947-H952 CovalentContact O-NE2 1.79Å; I947-H952 PolarHBondContact O-NE2 2.74Å; D948-H952 PolarHBondContact O-CD2 2.91Å; H952-G954 WeakPolarHBondContact CB-O 3.01Å; H952-G954 PolarHBondContact O-N 2.89Å; H952-L957 VanDerWaalsContact CE1-CD2 3.44Å; H952-L957 WeakPolarHBondContact CE1-CD2 2.84Å; H952-L957 VanDerWaalsContact ND1-CB 3.3Å; H952-L957 WeakPolarHBondContact ND1-CB 2.95Å; H952-W985 WeakPolarHBondContact CE1-CB 3.49Å; H952-W985 AromaticContact CE1-CD1 3.72Å; H952-W985 AromaticContact CE1-CD2 2.84Å; H952-W985 AromaticContact CE1-CE2 3.85Å; H952-W985 AromaticContact CE1-CE3 2.96Å; H952-W985 AromaticContact CE1-CG 2.79Å; H952-N1029 PolarHBondContact O-ND2 3Å |
| 953 | N | 68.2 | Low | 76.5 | Confident | 16 Ų | 16 | 22.2 Ų | 22.2 | 9% | 0.086 | 11% | 0.112 | C | C | . | . | trans | 55.3 | 0.5 | -172.6 | -62.7 | -28.4 | 0 | 0 | 0 | 115.3 | P920 K921 P922 M924 E951 | P920-N953 CarbonylContact C-O 3.53Å; P920-N953 WeakPolarHBondContact CA-O 3.35Å; P920-N953 WeakPolarHBondContact CB-O 3.18Å; K921-N953 HydrophobicContact CB-CB 4.01Å; K921-N953 PolarHBondContact N-O 2.72Å; K921-N953 CarbonylContact O-C 3.48Å; K921-N953 WeakPolarHBondContact O-CB 3.28Å; P922-N953 PolarHBondContact O-ND2 3.2Å; P922-N953 VanDerWaalsContact O-ND2 3.15Å; M924-N953 PolarHBondContact N-ND2 2.78Å; E951-N953 PolarHBondContact O-N 2.6Å | ||
| 954 | G | 63.2 | Low | 76 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 178.3 | -164.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.1 | H952 | H952-G954 WeakPolarHBondContact CB-O 3.01Å; H952-G954 PolarHBondContact O-N 2.89Å |
| 955 | P | 61.8 | Low | 75.8 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -99.3 | 165.4 | -170.1 | 38.6 | -30.7 | 0 | 0 | 0 | 111.6 | D209 H351 P763 I764 L957 N1029 Y1030 | D209-P955 HydrophobicContact CB-CB 3.86Å; D209-P955 HydrophobicContact CB-CG 4.3Å; H351-P955 WeakPolarHBondContact CE1-CD 2.82Å; H351-P955 WeakPolarHBondContact CE1-CG 2.76Å; H351-P955 WeakPolarHBondContact NE2-CG 3.3Å; P763-P955 VanDerWaalsContact O-CA 3.29Å; P763-P955 WeakPolarHBondContact O-CA 2.82Å; P763-P955 WeakPolarHBondContact O-CB 3.49Å; I764-P955 HydrophobicContact CG1-CB 4.28Å; P955-L957 PolarHBondContact O-N 2.83Å; P955-N1029 VanDerWaalsContact O-CB 3.32Å; P955-N1029 WeakPolarHBondContact O-CB 3.03Å; P955-Y1030 HydrophobicContact CB-CD2 3.98Å; P955-Y1030 HydrophobicContact CG-CD2 3.93Å; P955-Y1030 PolarHBondContact O-N 3.13Å |
| 956 | G | 63.4 | Low | 75.6 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | trans | 68.4 | 32 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P763 I958 | P763-G956 PolarHBondContact O-N 2.89Å; G956-I958 PolarHBondContact O-N 3.03Å | ||
| 957 | L | 76.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -62.7 | 125.4 | 175 | -169.1 | 74.9 | 0 | 0 | 0 | 109.7 | I923 I947 H952 P955 Y959 W985 A1027 E1028 N1029 | I923-L957 HydrophobicContact CD1-CD1 3.61Å; I923-L957 HydrophobicContact CG2-CD1 4.24Å; I947-L957 HydrophobicContact CB-CD2 3.82Å; I947-L957 HydrophobicContact CD1-CD2 4.1Å; I947-L957 HydrophobicContact CG1-CD2 4.23Å; H952-L957 VanDerWaalsContact CE1-CD2 3.44Å; H952-L957 WeakPolarHBondContact CE1-CD2 2.84Å; H952-L957 VanDerWaalsContact ND1-CB 3.3Å; H952-L957 WeakPolarHBondContact ND1-CB 2.95Å; P955-L957 PolarHBondContact O-N 2.83Å; L957-Y959 HydrophobicContact CD2-CE1 4.14Å; L957-W985 HydrophobicContact CB-CB 3.89Å; L957-W985 HydrophobicContact CD2-CB 4.15Å; L957-W985 HydrophobicContact CG-CB 4.33Å; L957-W985 WeakPolarHBondContact O-CB 3.31Å; L957-A1027 HydrophobicContact CD1-CB 4.06Å; L957-E1028 CarbonylContact C-O 2.76Å; L957-E1028 VanDerWaalsContact CA-O 3.31Å; L957-E1028 WeakPolarHBondContact CA-O 3.02Å; L957-N1029 HydrophobicContact CD1-CB 4.2Å | ||
| 958 | I | 79.8 | Confident | 75.3 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 10% | 0.097 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.3 | 173.6 | 62.8 | 176.8 | 0 | 0 | 0 | 108.9 | G956 I981 N983 A1027 E1028 N1667 | G956-I958 PolarHBondContact O-N 3.03Å; I958-I981 HydrophobicContact CB-CG2 4.43Å; I958-I981 HydrophobicContact CD1-CG2 4.09Å; I958-N983 HydrophobicContact CG2-CB 4.5Å; I958-A1027 WeakPolarHBondContact O-CA 2.87Å; I958-E1028 HydrophobicContact CD1-CB 4.44Å; I958-E1028 HydrophobicContact CG1-CB 3.96Å; I958-E1028 WeakPolarHBondContact CG1-O 3.32Å; I958-E1028 PolarHBondContact N-O 3.09Å; I958-E1028 PolarHBondContact O-N 2.98Å; I958-N1667 WeakPolarHBondContact CD1-ND2 3.32Å |
| 959 | Y | 85.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.5 | 171.5 | -54.7 | -72.7 | 0 | 0 | 0 | 111.1 | W944 P946 I947 L957 V982 W985 L1025 Q1026 A1027 | W944-Y959 AromaticContact CE2-CD2 3.78Å; W944-Y959 AromaticContact CZ2-CD2 3.8Å; W944-Y959 HydrophobicContact CZ2-CD2 3.8Å; W944-Y959 HydrophobicContact CZ2-CE2 4.35Å; W944-Y959 HydrophobicContact CZ2-CG 4.35Å; W944-Y959 AromaticContact NE1-CD1 4Å; W944-Y959 AromaticContact NE1-CD2 3.3Å; W944-Y959 VanDerWaalsContact NE1-CD2 3.3Å; W944-Y959 AromaticContact NE1-CE1 3.93Å; W944-Y959 AromaticContact NE1-CE2 3.18Å; W944-Y959 AromaticContact NE1-CG 3.72Å; W944-Y959 AromaticContact NE1-CZ 3.55Å; P946-Y959 WeakPolarHBondContact CA-OH 3.49Å; I947-Y959 HydrophobicContact CD1-CE1 4.36Å; I947-Y959 HydrophobicContact CG1-CE1 4.22Å; I947-Y959 PolarHBondContact N-OH 2.89Å; L957-Y959 HydrophobicContact CD2-CE1 4.14Å; Y959-V982 HydrophobicContact CD2-CB 4.4Å; Y959-V982 PolarHBondContact N-O 3.03Å; Y959-V982 PolarHBondContact O-N 2.78Å; Y959-W985 WeakPolarHBondContact CE2-O 3.49Å; Y959-W985 PolarHBondContact OH-O 3.22Å; Y959-W985 VanDerWaalsContact OH-O 3.07Å; Y959-L1025 HydrophobicContact CD1-CD1 4.1Å; Y959-L1025 HydrophobicContact CG-CD1 4.12Å; Y959-Q1026 WeakPolarHBondContact CA-O 3.34Å; Y959-A1027 HydrophobicContact CD1-CB 3.77Å; Y959-A1027 HydrophobicContact CE1-CB 3.82Å |
| 960 | R | 82 | Confident | 75.7 | Confident | 25 Ų | 25 | 28.8 Ų | 28.8 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116 | 167.6 | 171.3 | 178.2 | -60.6 | -75 | -15.2 | 109 | L1025 Q1026 E1028 L1666 N1667 | R960-L1025 CarbonylContact O-C 3.6Å; R960-L1025 WeakPolarHBondContact O-CA 3.19Å; R960-Q1026 HydrophobicContact CB-CB 4.23Å; R960-Q1026 PolarHBondContact N-O 2.73Å; R960-Q1026 PolarHBondContact O-N 3.47Å; R960-E1028 IonicContact NE-OE1 2.81Å; R960-E1028 PolarHBondContact NE-OE1 2.83Å; R960-L1666 VanDerWaalsContact NH2-CG 3.28Å; R960-N1667 PolarHBondContact NH2-ND2 2.86Å |
| 961 | L | 84.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.7 | 168.5 | -71.8 | 167.6 | 0 | 0 | 0 | 109.6 | I942 W944 Y979 T980 V982 I990 V1023 T1024 L1025 | I942-L961 HydrophobicContact CG2-CD1 4.35Å; I942-L961 HydrophobicContact CG2-CD2 3.81Å; W944-L961 HydrophobicContact CH2-CD1 4.13Å; W944-L961 HydrophobicContact CZ3-CD1 3.99Å; L961-Y979 CarbonylContact O-C 3.55Å; L961-Y979 VanDerWaalsContact O-CA 3.29Å; L961-Y979 WeakPolarHBondContact O-CA 3.29Å; L961-T980 WeakPolarHBondContact CB-O 2.64Å; L961-T980 PolarHBondContact N-O 3.44Å; L961-T980 PolarHBondContact O-N 3.21Å; L961-V982 HydrophobicContact CD1-CG2 3.71Å; L961-V982 HydrophobicContact CG-CG2 4.28Å; L961-I990 HydrophobicContact CD1-CD1 3.83Å; L961-V1023 HydrophobicContact CD2-CG1 3.62Å; L961-T1024 CarbonylContact C-O 3.56Å; L961-T1024 VanDerWaalsContact CA-O 3.24Å; L961-T1024 WeakPolarHBondContact CA-O 3.14Å; L961-L1025 HydrophobicContact CD2-CB 4.21Å; L961-L1025 HydrophobicContact CD2-CD1 3.68Å; L961-L1025 HydrophobicContact CD2-CG 4.49Å; L961-L1025 HydrophobicContact CG-CD1 4.18Å |
| 962 | T | 82.6 | Confident | 74.8 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 17% | 0.172 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.8 | 164.3 | -32.8 | 0 | 0 | 0 | 0 | 109 | L977 N978 V1023 T1024 | T962-L977 HydrophobicContact CG2-CB 3.9Å; T962-L977 HydrophobicContact CG2-CD2 4.04Å; T962-N978 CarbonylContact C-O 3.52Å; T962-N978 VanDerWaalsContact CA-O 3.3Å; T962-N978 WeakPolarHBondContact CA-O 3.4Å; T962-V1023 CarbonylContact O-C 3.58Å; T962-V1023 VanDerWaalsContact O-CA 3.27Å; T962-V1023 WeakPolarHBondContact O-CA 2.62Å; T962-T1024 WeakPolarHBondContact CB-OG1 3.07Å; T962-T1024 PolarHBondContact N-O 2.82Å; T962-T1024 PolarHBondContact N-OG1 3.43Å; T962-T1024 PolarHBondContact O-N 3.44Å; T962-T1024 PolarHBondContact OG1-OG1 3.38Å |
| 963 | I | 84.5 | Confident | 73.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.8 | -172.5 | -51.5 | 167.3 | 0 | 0 | 0 | 109.3 | L940 I942 N978 L992 L995 Y1021 V1023 | L940-I963 HydrophobicContact CD2-CG2 4.31Å; I942-I963 HydrophobicContact CD1-CD1 3.52Å; I942-I963 HydrophobicContact CD1-CG1 3.93Å; I963-N978 HydrophobicContact CB-CB 4.37Å; I963-N978 PolarHBondContact N-O 2.79Å; I963-N978 WeakPolarHBondContact O-CB 3.41Å; I963-N978 PolarHBondContact O-N 2.79Å; I963-L992 HydrophobicContact CD1-CD1 3.41Å; I963-L992 VanDerWaalsContact CD1-CD1 3.41Å; I963-L995 HydrophobicContact CB-CD2 4.2Å; I963-L995 HydrophobicContact CD1-CD2 3.71Å; I963-L995 HydrophobicContact CG2-CD1 4.23Å; I963-L995 HydrophobicContact CG2-CD2 3.93Å; I963-Y1021 HydrophobicContact CG2-CD1 4.11Å; I963-V1023 HydrophobicContact CG1-CG1 4.38Å; I963-V1023 HydrophobicContact CG1-CG2 4.24Å; I963-V1023 HydrophobicContact CG2-CG2 4.29Å |
| 964 | N | 80.1 | Confident | 73 | Confident | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.5 | 178.9 | -179.7 | 26.5 | 0 | 0 | 0 | 109.7 | Y1021 Q1022 | N964-Y1021 CarbonylContact O-C 3.46Å; N964-Y1021 WeakPolarHBondContact O-CA 3.39Å; N964-Q1022 PolarHBondContact N-O 2.74Å; N964-Q1022 PolarHBondContact O-N 3.23Å |
| 965 | C | 82.5 | Confident | 72.3 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.2 | 175.2 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | C968 Y1021 | C965-C968 HydrophobicContact CB-CB 3.78Å; C965-C968 WeakPolarHBondContact CB-SG 3.5Å; C965-C968 WeakPolarHBondContact SG-CB 3.27Å; C965-C968 PolarHBondContact SG-N 3.35Å; C965-C968 CovalentContact SG-SG 2.03Å; C965-C968 PolarHBondContact SG-SG 3.06Å; C965-Y1021 HydrophobicContact CB-CD1 3.76Å; C965-Y1021 HydrophobicContact CB-CE1 3.58Å |
| 966 | L | 82.2 | Confident | 71.7 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -93.2 | -28.5 | -173.6 | -57.3 | -175.4 | 0 | 0 | 0 | 113.4 | T1020 Q1022 T1042 | L966-T1020 WeakPolarHBondContact CB-O 3.44Å; L966-T1020 HydrophobicContact CD1-CG2 4.16Å; L966-T1020 PolarHBondContact N-O 2.78Å; L966-Q1022 HydrophobicContact CD1-CB 4.26Å; L966-Q1022 HydrophobicContact CD2-CB 4.05Å; L966-Q1022 HydrophobicContact CG-CB 4.22Å; L966-T1042 HydrophobicContact CD1-CG2 3.99Å |
| 967 | D | 79.5 | Confident | 71.1 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -137 | 9.6 | -171.2 | 60.3 | 12.5 | 0 | 0 | 0 | 114.7 | R1019 T1020 | D967-R1019 WeakPolarHBondContact OD1-CA 3.15Å; D967-R1019 VanDerWaalsContact OD1-CB 3.3Å; D967-R1019 WeakPolarHBondContact OD1-CB 3.32Å; D967-R1019 WeakPolarHBondContact OD1-CD 3.39Å; D967-T1020 PolarHBondContact OD1-N 3.28Å; D967-T1020 WeakPolarHBondContact OD2-CB 3.46Å; D967-T1020 PolarHBondContact OD2-N 2.95Å; D967-T1020 PolarHBondContact OD2-OG1 2.91Å |
| 968 | C | 77.3 | Confident | 70.2 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | trans | -55.5 | 139.5 | 174.4 | -75.9 | 0 | 0 | 0 | 0 | 112.5 | C965 E1016 Y1021 | C965-C968 HydrophobicContact CB-CB 3.78Å; C965-C968 WeakPolarHBondContact CB-SG 3.5Å; C965-C968 WeakPolarHBondContact SG-CB 3.27Å; C965-C968 PolarHBondContact SG-N 3.35Å; C965-C968 CovalentContact SG-SG 2.03Å; C965-C968 PolarHBondContact SG-SG 3.06Å; C968-E1016 WeakPolarHBondContact CA-OE1 3.39Å; C968-E1016 VanDerWaalsContact CB-OE1 3.23Å; C968-E1016 WeakPolarHBondContact CB-OE1 3.04Å; C968-Y1021 PolarHBondContact SG-OH 3.49Å; C968-Y1021 VanDerWaalsContact SG-OH 3.39Å | ||
| 969 | I | 74.4 | Confident | 69.1 | Low | 81 Ų | 81 | 57.4 Ų | 57.4 | 42% | 0.415 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -82.2 | -42.9 | 177 | -54.7 | 169.9 | 0 | 0 | 0 | 110.5 | E1016 R1019 M1081 | I969-E1016 PolarHBondContact N-OE1 3.36Å; I969-E1016 PolarHBondContact N-OE2 2.66Å; I969-E1016 VanDerWaalsContact N-OE2 3.12Å; I969-R1019 VanDerWaalsContact CD1-NH2 3.35Å; I969-M1081 HydrophobicContact CD1-CE 3.5Å; I969-M1081 HydrophobicContact CD1-SD 3.76Å; I969-M1081 HydrophobicContact CG1-CE 3.94Å |
| 970 | H | 72.7 | Confident | 68.1 | Low | 139 Ų | 139 | 59.9 Ų | 59.9 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -111.5 | -4.9 | -172.5 | -54.3 | 102.8 | 0 | 0 | 0 | 112.5 | W1013 E1016 | H970-W1013 WeakPolarHBondContact O-CZ3 3.48Å; H970-E1016 PolarHBondContact N-OE1 2.8Å |
| 971 | G | 60.6 | Low | 67.1 | Low | 20 Ų | 20 | 61.3 Ų | 61.3 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -72.2 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1016 | G971-E1016 PolarHBondContact N-OE1 2.93Š|
| 972 | P | 55.7 | Low | 66.5 | Low | 15 Ų | 15 | 61.6 Ų | 61.6 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 139.8 | -177.9 | 27 | -34.3 | 0 | 0 | 0 | 111.7 | V976 W1013 | P972-V976 HydrophobicContact CB-CB 4.05Å; P972-V976 HydrophobicContact CB-CG2 4.03Å; P972-W1013 HydrophobicContact CB-CD2 4.33Å; P972-W1013 HydrophobicContact CB-CZ2 4.13Å; P972-W1013 HydrophobicContact CG-CD2 4.48Å; P972-W1013 HydrophobicContact CG-CG 4.43Å |
| 973 | S | 52.6 | Low | 65.8 | Low | 81 Ų | 81 | 64 Ų | 64 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 147.9 | -179 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | N975 V976 | S973-N975 PolarHBondContact O-N 2.94Å; S973-V976 PolarHBondContact O-N 2.79Å; S973-V976 VanDerWaalsContact O-N 3.14Å |
| 974 | K | 50.8 | Low | 65 | Low | 170 Ų | 170 | 67.5 Ų | 67.5 | 74% | 0.739 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -4.2 | -164.8 | -67.3 | -172.9 | 173.8 | -176.4 | 0 | 120.3 | ||
| 975 | N | 48.6 | Very low | 64.5 | Low | 157 Ų | 157 | 68.4 Ų | 68.4 | 84% | 0.84 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 8.4 | -177.9 | -65.2 | -7.1 | 0 | 0 | 0 | 114 | S973 | S973-N975 PolarHBondContact O-N 2.94Š|
| 976 | V | 50.6 | Low | 63.9 | Low | 26 Ų | 26 | 70.8 Ų | 70.8 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | trans | -92.8 | 123.1 | 174.6 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | P972 S973 N978 | P972-V976 HydrophobicContact CB-CB 4.05Å; P972-V976 HydrophobicContact CB-CG2 4.03Å; S973-V976 PolarHBondContact O-N 2.79Å; S973-V976 VanDerWaalsContact O-N 3.14Å; V976-N978 WeakPolarHBondContact CG1-OD1 3.14Å | ||
| 977 | L | 50.6 | Low | 63.6 | Low | 127 Ų | 127 | 71.3 Ų | 71.3 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | trans | -104.5 | 101.5 | 179.6 | -71 | 171.1 | 0 | 0 | 0 | 110 | T962 Y979 | T962-L977 HydrophobicContact CG2-CB 3.9Å; T962-L977 HydrophobicContact CG2-CD2 4.04Å; L977-Y979 PolarHBondContact O-N 3.17Å | ||
| 978 | N | 57 | Low | 63.7 | Low | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 103.6 | -175.3 | -51.1 | -12.2 | 0 | 0 | 0 | 109.2 | T962 I963 V976 T997 | T962-N978 CarbonylContact C-O 3.52Å; T962-N978 VanDerWaalsContact CA-O 3.3Å; T962-N978 WeakPolarHBondContact CA-O 3.4Å; I963-N978 HydrophobicContact CB-CB 4.37Å; I963-N978 PolarHBondContact N-O 2.79Å; I963-N978 WeakPolarHBondContact O-CB 3.41Å; I963-N978 PolarHBondContact O-N 2.79Å; V976-N978 WeakPolarHBondContact CG1-OD1 3.14Å; N978-T997 HydrophobicContact CB-CG2 4.37Å; N978-T997 WeakPolarHBondContact ND2-CG2 3.08Å; N978-T997 WeakPolarHBondContact OD1-CG2 3.22Å |
| 979 | Y | 57.1 | Low | 64.2 | Low | 115 Ų | 115 | 73.8 Ų | 73.8 | 45% | 0.451 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.3 | -179.9 | 67.1 | -85.2 | 0 | 0 | 0 | 112.4 | L961 L977 I981 | L961-Y979 CarbonylContact O-C 3.55Å; L961-Y979 VanDerWaalsContact O-CA 3.29Å; L961-Y979 WeakPolarHBondContact O-CA 3.29Å; L977-Y979 PolarHBondContact O-N 3.17Å; Y979-I981 HydrophobicContact CD2-CG1 4.42Å |
| 980 | T | 63.2 | Low | 64.7 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129 | 172.9 | -63.5 | 0 | 0 | 0 | 0 | 108 | L961 | L961-T980 WeakPolarHBondContact CB-O 2.64Å; L961-T980 PolarHBondContact N-O 3.44Å; L961-T980 PolarHBondContact O-N 3.21Å |
| 981 | I | 61.8 | Low | 65.4 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.1 | 178.2 | -49.4 | -179.2 | 0 | 0 | 0 | 108.7 | I958 Y979 N983 | I958-I981 HydrophobicContact CB-CG2 4.43Å; I958-I981 HydrophobicContact CD1-CG2 4.09Å; Y979-I981 HydrophobicContact CD2-CG1 4.42Å; I981-N983 WeakPolarHBondContact CG2-OD1 2.84Å |
| 982 | V | 73.1 | Confident | 66.6 | Low | 8 Ų | 8 | 67.7 Ų | 67.7 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 92.8 | -178 | -162.9 | 0 | 0 | 0 | 0 | 108.3 | W944 Y959 L961 N984 K987 I990 | W944-V982 HydrophobicContact CH2-CB 4.48Å; W944-V982 HydrophobicContact CH2-CG1 4.19Å; W944-V982 HydrophobicContact CH2-CG2 3.92Å; W944-V982 HydrophobicContact CZ2-CB 4.32Å; W944-V982 HydrophobicContact CZ2-CG1 4.01Å; W944-V982 HydrophobicContact CZ2-CG2 4.19Å; Y959-V982 HydrophobicContact CD2-CB 4.4Å; Y959-V982 PolarHBondContact N-O 3.03Å; Y959-V982 PolarHBondContact O-N 2.78Å; L961-V982 HydrophobicContact CD1-CG2 3.71Å; L961-V982 HydrophobicContact CG-CG2 4.28Å; V982-N984 PolarHBondContact O-N 3.28Å; V982-K987 HydrophobicContact CG1-CB 3.89Å; V982-K987 HydrophobicContact CG1-CD 3.68Å; V982-K987 HydrophobicContact CG1-CG 4.25Å; V982-I990 HydrophobicContact CG1-CD1 4.34Å; V982-I990 HydrophobicContact CG2-CD1 3.6Å |
| 983 | N | 65.9 | Low | 68 | Low | 78 Ų | 78 | 71.1 Ų | 71.1 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | trans | -71.2 | -13 | -176.5 | -62.5 | 0.8 | 0 | 0 | 0 | 113.5 | I958 I981 | I958-N983 HydrophobicContact CG2-CB 4.5Å; I981-N983 WeakPolarHBondContact CG2-OD1 2.84Å | ||
| 984 | N | 69.1 | Low | 69.3 | Low | 75 Ų | 75 | 70 Ų | 70 | 40% | 0.401 | 35% | 0.352 | S | S | . | . | trans | -94.6 | 105 | 174.8 | 179.8 | 16.1 | 0 | 0 | 0 | 110.5 | V982 S986 K987 | V982-N984 PolarHBondContact O-N 3.28Å; N984-S986 PolarHBondContact ND2-OG 2.71Å; N984-S986 VanDerWaalsContact ND2-OG 3.17Å; N984-S986 PolarHBondContact O-N 3.07Å; N984-S986 PolarHBondContact OD1-N 3.33Å; N984-S986 PolarHBondContact OD1-OG 2.94Å; N984-K987 HydrophobicContact CB-CB 4.18Å; N984-K987 VanDerWaalsContact O-CB 3.31Å; N984-K987 WeakPolarHBondContact O-CB 3.48Å; N984-K987 PolarHBondContact O-N 2.99Å | ||
| 985 | W | 69.1 | Low | 70.3 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.186 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21 | 176.9 | 58.5 | -94.1 | 0 | 0 | 0 | 115.1 | H207 P949 H952 L957 Y959 | H207-W985 AromaticContact NE2-CD1 3.35Å; H207-W985 VanDerWaalsContact NE2-CD1 3.35Å; H207-W985 AromaticContact NE2-NE1 3.49Å; H207-W985 PolarHBondContact NE2-NE1 3.07Å; P949-W985 HydrophobicContact CG-CE3 4.4Å; P949-W985 HydrophobicContact CG-CH2 3.96Å; P949-W985 HydrophobicContact CG-CZ3 3.6Å; H952-W985 WeakPolarHBondContact CE1-CB 3.49Å; H952-W985 AromaticContact CE1-CD1 3.72Å; H952-W985 AromaticContact CE1-CD2 2.84Å; H952-W985 AromaticContact CE1-CE2 3.85Å; H952-W985 AromaticContact CE1-CE3 2.96Å; H952-W985 AromaticContact CE1-CG 2.79Å; L957-W985 HydrophobicContact CB-CB 3.89Å; L957-W985 HydrophobicContact CD2-CB 4.15Å; L957-W985 HydrophobicContact CG-CB 4.33Å; L957-W985 WeakPolarHBondContact O-CB 3.31Å; Y959-W985 WeakPolarHBondContact CE2-O 3.49Å; Y959-W985 PolarHBondContact OH-O 3.22Å; Y959-W985 VanDerWaalsContact OH-O 3.07Å |
| 986 | S | 70.1 | Confident | 71.1 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6 | 175.8 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | N984 D988 | N984-S986 PolarHBondContact ND2-OG 2.71Å; N984-S986 VanDerWaalsContact ND2-OG 3.17Å; N984-S986 PolarHBondContact O-N 3.07Å; N984-S986 PolarHBondContact OD1-N 3.33Å; N984-S986 PolarHBondContact OD1-OG 2.94Å; S986-D988 PolarHBondContact O-N 2.78Å |
| 987 | K | 75.6 | Confident | 71.4 | Confident | 84 Ų | 84 | 59 Ų | 59 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | trans | -71.9 | 122.6 | 171.6 | -161.3 | 174.1 | -164.8 | 179.2 | 0 | 108.5 | W944 V982 N984 R989 I990 | W944-K987 HydrophobicContact CZ2-CB 4.48Å; W944-K987 WeakPolarHBondContact CZ2-O 2.87Å; W944-K987 PolarHBondContact NE1-O 3.3Å; W944-K987 VanDerWaalsContact NE1-O 3.07Å; V982-K987 HydrophobicContact CG1-CB 3.89Å; V982-K987 HydrophobicContact CG1-CD 3.68Å; V982-K987 HydrophobicContact CG1-CG 4.25Å; N984-K987 HydrophobicContact CB-CB 4.18Å; N984-K987 VanDerWaalsContact O-CB 3.31Å; N984-K987 WeakPolarHBondContact O-CB 3.48Å; N984-K987 PolarHBondContact O-N 2.99Å; K987-R989 WeakPolarHBondContact CE-O 3.06Å; K987-R989 WeakPolarHBondContact CG-O 3.28Å; K987-I990 HydrophobicContact CD-CD1 4.4Å; K987-I990 HydrophobicContact CD-CG1 3.96Å | ||
| 988 | D | 82.1 | Confident | 71.3 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -102.7 | -27.1 | 179.2 | 62.5 | -26.3 | 0 | 0 | 0 | 112 | Q943 W944 P946 S986 | Q943-D988 CarbonylContact C-O 2.72Å; Q943-D988 WeakPolarHBondContact CA-O 3.38Å; W944-D988 PolarHBondContact N-O 2.75Å; W944-D988 WeakPolarHBondContact O-CA 3.36Å; W944-D988 VanDerWaalsContact O-O 3.12Å; P946-D988 HydrophobicContact CG-CB 3.64Å; S986-D988 PolarHBondContact O-N 2.78Å | ||
| 989 | R | 88.2 | Confident | 70.7 | Confident | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.2 | -171.1 | -173.2 | -179.6 | 178.6 | -86.1 | 1.1 | 112.2 | I941 I942 Q943 K987 E991 | I941-R989 HydrophobicContact CG2-CG 3.77Å; I942-R989 CarbonylContact O-C 3.54Å; I942-R989 WeakPolarHBondContact O-CA 3.2Å; Q943-R989 HydrophobicContact CB-CG 4.44Å; Q943-R989 HydrophobicContact CG-CB 4.38Å; K987-R989 WeakPolarHBondContact CE-O 3.06Å; K987-R989 WeakPolarHBondContact CG-O 3.28Å; R989-E991 IonicContact CZ-OE2 3.38Å; R989-E991 VanDerWaalsContact CZ-OE2 3.26Å; R989-E991 IonicContact NH1-OE2 2.75Å; R989-E991 PolarHBondContact NH1-OE2 3.06Å; R989-E991 IonicContact NH2-OE2 3.15Å; R989-E991 PolarHBondContact NH2-OE2 3.02Å |
| 990 | I | 84.2 | Confident | 69.9 | Low | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.3 | 163.9 | -67.6 | 178 | 0 | 0 | 0 | 107.9 | I941 I942 W944 L961 V982 K987 L992 | I941-I990 CarbonylContact C-O 3.44Å; I941-I990 VanDerWaalsContact CA-O 3.28Å; I941-I990 WeakPolarHBondContact CA-O 3.07Å; I942-I990 PolarHBondContact N-O 3.27Å; I942-I990 PolarHBondContact O-N 3.42Å; W944-I990 HydrophobicContact CH2-CD1 3.78Å; W944-I990 HydrophobicContact CH2-CG1 3.83Å; W944-I990 HydrophobicContact CZ3-CD1 4.27Å; W944-I990 HydrophobicContact CZ3-CG1 4.16Å; L961-I990 HydrophobicContact CD1-CD1 3.83Å; V982-I990 HydrophobicContact CG1-CD1 4.34Å; V982-I990 HydrophobicContact CG2-CD1 3.6Å; K987-I990 HydrophobicContact CD-CD1 4.4Å; K987-I990 HydrophobicContact CD-CG1 3.96Å; I990-L992 HydrophobicContact CG2-CD2 3.55Å; I990-L992 HydrophobicContact CG2-CG 3.78Å |
| 991 | E | 88.1 | Confident | 68.7 | Low | 69 Ų | 69 | 62.8 Ų | 62.8 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.8 | 169.4 | -175.8 | 168.5 | 170.6 | 0 | 0 | 106.8 | K936 N939 I941 R989 | K936-E991 IonicContact NZ-OE1 3.89Å; K936-E991 PolarHBondContact NZ-OE1 3.25Å; K936-E991 IonicContact NZ-OE2 3.67Å; N939-E991 HydrophobicContact CB-CG 4.35Å; N939-E991 PolarHBondContact ND2-OE1 3.1Å; I941-E991 HydrophobicContact CG1-CB 4.23Å; I941-E991 HydrophobicContact CG1-CG 3.94Å; R989-E991 IonicContact CZ-OE2 3.38Å; R989-E991 VanDerWaalsContact CZ-OE2 3.26Å; R989-E991 IonicContact NH1-OE2 2.75Å; R989-E991 PolarHBondContact NH1-OE2 3.06Å; R989-E991 IonicContact NH2-OE2 3.15Å; R989-E991 PolarHBondContact NH2-OE2 3.02Å |
| 992 | L | 85.5 | Confident | 67.5 | Low | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.1 | -178.8 | -60.9 | 174.5 | 0 | 0 | 0 | 109.8 | N939 L940 I942 I963 I990 L995 I1015 | N939-L992 CarbonylContact C-O 3.53Å; N939-L992 WeakPolarHBondContact CA-O 3.31Å; L940-L992 HydrophobicContact CB-CB 4.48Å; L940-L992 PolarHBondContact N-O 2.51Å; L940-L992 PolarHBondContact O-N 2.81Å; I942-L992 HydrophobicContact CD1-CD1 3.83Å; I963-L992 HydrophobicContact CD1-CD1 3.41Å; I963-L992 VanDerWaalsContact CD1-CD1 3.41Å; I990-L992 HydrophobicContact CG2-CD2 3.55Å; I990-L992 HydrophobicContact CG2-CG 3.78Å; L992-L995 HydrophobicContact CD1-CD2 3.94Å; L992-I1015 HydrophobicContact CB-CG1 4.42Å |
| 993 | T | 85.4 | Confident | 66 | Low | 86 Ų | 86 | 74.8 Ų | 74.8 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -97.9 | -20.7 | 165 | 36.9 | 0 | 0 | 0 | 0 | 112.5 | Y938 I1015 | Y938-T993 WeakPolarHBondContact O-CA 3.45Å; T993-I1015 PolarHBondContact O-N 2.71Å |
| 994 | D | 80 | Confident | 64.5 | Low | 57 Ų | 57 | 77 Ų | 77 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 152.1 | -166.5 | 55.4 | -64.5 | 0 | 0 | 0 | 110.9 | I1012 W1013 | D994-I1012 HydrophobicContact CB-CG2 3.94Å; D994-W1013 CarbonylContact C-O 3.07Å; D994-W1013 WeakPolarHBondContact CA-O 3.01Å |
| 995 | L | 72 | Confident | 62.9 | Low | 9 Ų | 9 | 78.3 Ų | 78.3 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 107.5 | 178.2 | -69.5 | 171.1 | 0 | 0 | 0 | 108.9 | I963 L992 W1013 I1015 Y1021 | I963-L995 HydrophobicContact CB-CD2 4.2Å; I963-L995 HydrophobicContact CD1-CD2 3.71Å; I963-L995 HydrophobicContact CG2-CD1 4.23Å; I963-L995 HydrophobicContact CG2-CD2 3.93Å; L992-L995 HydrophobicContact CD1-CD2 3.94Å; L995-W1013 PolarHBondContact N-O 2.77Å; L995-W1013 PolarHBondContact O-N 2.74Å; L995-I1015 HydrophobicContact CD1-CD1 3.68Å; L995-I1015 HydrophobicContact CD2-CD1 4.31Å; L995-I1015 HydrophobicContact CG-CD1 3.71Å; L995-Y1021 HydrophobicContact CD1-CD1 4.27Å; L995-Y1021 HydrophobicContact CD1-CE1 3.7Å |
| 996 | I | 64.9 | Low | 61.3 | Low | 111 Ų | 111 | 83.1 Ų | 83.1 | 57% | 0.569 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.6 | 171.2 | -55.8 | 177.5 | 0 | 0 | 0 | 108.1 | I1010 | I996-I1010 HydrophobicContact CG2-CG2 3.53Å |
| 997 | T | 56.4 | Low | 59.8 | Low | 3 Ų | 3 | 88.2 Ų | 88.2 | 2% | 0.018 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.3 | -178.4 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | N978 I1010 D1011 W1013 | N978-T997 HydrophobicContact CB-CG2 4.37Å; N978-T997 WeakPolarHBondContact ND2-CG2 3.08Å; N978-T997 WeakPolarHBondContact OD1-CG2 3.22Å; T997-I1010 WeakPolarHBondContact O-CA 3.25Å; T997-D1011 PolarHBondContact N-O 3.5Å; T997-D1011 PolarHBondContact O-N 2.75Å; T997-D1011 PolarHBondContact OG1-O 2.94Å; T997-W1013 VanDerWaalsContact CG2-CD1 3.5Å; T997-W1013 PolarHBondContact OG1-NE1 2.84Å |
| 998 | S | 47.8 | Very low | 58.2 | Low | 46 Ų | 46 | 88.5 Ų | 88.5 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | L1000 | S998-L1000 PolarHBondContact O-N 3.49Å |
| 999 | R | 45.5 | Very low | 56.6 | Low | 109 Ų | 109 | 90.8 Ų | 90.8 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | trans | -76.8 | 103 | 171.6 | -83.4 | -178.4 | 167.8 | 174.8 | 2.2 | 110 | T1001 D1011 | R999-T1001 HydrophobicContact CB-CG2 4.44Å; R999-T1001 PolarHBondContact O-N 2.87Å; R999-D1011 IonicContact CZ-OD2 2.65Å; R999-D1011 IonicContact NE-OD2 2.6Å | ||
| 1000 | L | 40.2 | Very low | 55.2 | Low | 126 Ų | 126 | 92.3 Ų | 92.3 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | trans | -70.2 | 75.1 | 165.4 | -79.6 | 164.9 | 0 | 0 | 0 | 110.5 | S998 S1002 | S998-L1000 PolarHBondContact O-N 3.49Å; L1000-S1002 PolarHBondContact O-N 2.67Å | ||
| 1001 | T | 38.5 | Very low | 54.1 | Low | 99 Ų | 99 | 93 Ų | 93 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | trans | -68.5 | 112.9 | 173 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | R999 K1003 | R999-T1001 HydrophobicContact CB-CG2 4.44Å; R999-T1001 PolarHBondContact O-N 2.87Å; T1001-K1003 VanDerWaalsContact C-N 3.27Å; T1001-K1003 PolarHBondContact O-N 3Å | ||
| 1002 | S | 36.8 | Very low | 53.2 | Low | 123 Ų | 123 | 94.6 Ų | 94.6 | 86% | 0.86 | 50% | 0.5 | S | S | * | . | trans | -79.8 | 63.5 | -173.1 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | L1000 | L1000-S1002 PolarHBondContact O-N 2.67Š| ||
| 1003 | K | 39.8 | Very low | 52.7 | Low | 191 Ų | 191 | 96.3 Ų | 96.3 | 83% | 0.83 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -156.2 | 155.5 | 162.4 | -105.1 | 142.1 | -173.1 | 178.1 | 0 | 111.8 | T1001 | T1001-K1003 VanDerWaalsContact C-N 3.27Å; T1001-K1003 PolarHBondContact O-N 3Å |
| 1004 | T | 36.1 | Very low | 52.5 | Low | 124 Ų | 124 | 98 Ų | 98 | 76% | 0.761 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -53.9 | 139.4 | -178.6 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1005 | D | 34.2 | Very low | 52.8 | Low | 103 Ų | 103 | 95.3 Ų | 95.3 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 49.1 | 76.1 | 162.6 | -61.6 | -36.1 | 0 | 0 | 0 | 116.7 | N1660 | D1005-N1660 PolarHBondContact OD1-ND2 2.98Š|
| 1006 | D | 35.5 | Very low | 53.5 | Low | 150 Ų | 150 | 95.8 Ų | 95.8 | 80% | 0.802 | 50% | 0.498 | S | S | * | . | S | Bend | -159.2 | 178 | 128.3 | -114.8 | -37.8 | 0 | 0 | 0 | 111.7 | |||
| 1007 | Q | 40.1 | Very low | 54.5 | Low | 168 Ų | 168 | 91 Ų | 91 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | trans | -61.9 | 141.6 | -162.2 | -58.9 | -174.2 | 0.3 | 0 | 0 | 115.8 | Q1009 | Q1007-Q1009 PolarHBondContact O-N 2.68Š| ||
| 1008 | N | 41.5 | Very low | 56 | Low | 90 Ų | 90 | 91.6 Ų | 91.6 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | trans | -61.1 | 96.1 | 166.2 | -92.3 | -4.3 | 0 | 0 | 0 | 110.3 | I1010 | N1008-I1010 PolarHBondContact O-N 2.83Š| ||
| 1009 | Q | 47.6 | Very low | 57.8 | Low | 121 Ų | 121 | 90.8 Ų | 90.8 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | trans | -71.9 | 120 | 174.1 | -168.2 | 173.8 | -17.7 | 0 | 0 | 109.9 | Q1007 D1011 | Q1007-Q1009 PolarHBondContact O-N 2.68Å; Q1009-D1011 PolarHBondContact NE2-OD1 2.71Å | ||
| 1010 | I | 58.2 | Low | 59.7 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 57% | 0.569 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 102.3 | 175.5 | -58.5 | 176.9 | 0 | 0 | 0 | 107.7 | I996 T997 N1008 I1012 | I996-I1010 HydrophobicContact CG2-CG2 3.53Å; T997-I1010 WeakPolarHBondContact O-CA 3.25Å; N1008-I1010 PolarHBondContact O-N 2.83Å; I1010-I1012 HydrophobicContact CG2-CG1 4.4Å |
| 1011 | D | 62.7 | Low | 61.9 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 15% | 0.15 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.3 | 174.2 | -61.7 | -34.6 | 0 | 0 | 0 | 108.1 | T997 R999 Q1009 W1013 | T997-D1011 PolarHBondContact N-O 3.5Å; T997-D1011 PolarHBondContact O-N 2.75Å; T997-D1011 PolarHBondContact OG1-O 2.94Å; R999-D1011 IonicContact CZ-OD2 2.65Å; R999-D1011 IonicContact NE-OD2 2.6Å; Q1009-D1011 PolarHBondContact NE2-OD1 2.71Å; D1011-W1013 HydrophobicContact CB-CZ2 3.92Å; D1011-W1013 PolarHBondContact O-NE1 2.72Å |
| 1012 | I | 68.6 | Low | 64.3 | Low | 104 Ų | 104 | 79.2 Ų | 79.2 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.4 | 175.3 | -56.4 | 176.7 | 0 | 0 | 0 | 108.2 | D994 I1010 | D994-I1012 HydrophobicContact CB-CG2 3.94Å; I1010-I1012 HydrophobicContact CG2-CG1 4.4Å |
| 1013 | W | 74.6 | Confident | 66.7 | Low | 63 Ų | 63 | 73.4 Ų | 73.4 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.3 | -178.9 | -48.9 | 78 | 0 | 0 | 0 | 109.6 | H970 P972 D994 L995 T997 D1011 | H970-W1013 WeakPolarHBondContact O-CZ3 3.48Å; P972-W1013 HydrophobicContact CB-CD2 4.33Å; P972-W1013 HydrophobicContact CB-CZ2 4.13Å; P972-W1013 HydrophobicContact CG-CD2 4.48Å; P972-W1013 HydrophobicContact CG-CG 4.43Å; D994-W1013 CarbonylContact C-O 3.07Å; D994-W1013 WeakPolarHBondContact CA-O 3.01Å; L995-W1013 PolarHBondContact N-O 2.77Å; L995-W1013 PolarHBondContact O-N 2.74Å; T997-W1013 VanDerWaalsContact CG2-CD1 3.5Å; T997-W1013 PolarHBondContact OG1-NE1 2.84Å; D1011-W1013 HydrophobicContact CB-CZ2 3.92Å; D1011-W1013 PolarHBondContact O-NE1 2.72Å |
| 1014 | N | 82.3 | Confident | 68.9 | Low | 122 Ų | 122 | 65.6 Ų | 65.6 | 65% | 0.652 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 146.6 | 174.2 | -63.5 | 1.4 | 0 | 0 | 0 | 110.1 | E1016 | N1014-E1016 PolarHBondContact O-N 3.03Å |
| 1015 | I | 85.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 118.2 | 168.1 | -67 | -64.7 | 0 | 0 | 0 | 108.1 | Y938 L940 L992 T993 L995 Y1021 S1045 | Y938-I1015 WeakPolarHBondContact CA-O 2.95Å; Y938-I1015 WeakPolarHBondContact CB-O 3.23Å; Y938-I1015 WeakPolarHBondContact CD1-O 3.3Å; L940-I1015 HydrophobicContact CB-CD1 3.78Å; L940-I1015 HydrophobicContact CB-CG1 4Å; L940-I1015 HydrophobicContact CB-CG2 4.05Å; L940-I1015 HydrophobicContact CD2-CD1 4.02Å; L992-I1015 HydrophobicContact CB-CG1 4.42Å; T993-I1015 PolarHBondContact O-N 2.71Å; L995-I1015 HydrophobicContact CD1-CD1 3.68Å; L995-I1015 HydrophobicContact CD2-CD1 4.31Å; L995-I1015 HydrophobicContact CG-CD1 3.71Å; I1015-Y1021 WeakPolarHBondContact CA-OH 3.35Å; I1015-Y1021 HydrophobicContact CD1-CE1 3.82Å; I1015-Y1021 HydrophobicContact CD1-CE2 4.3Å; I1015-Y1021 HydrophobicContact CG2-CE2 4.07Å; I1015-S1045 VanDerWaalsContact CG2-CB 3.41Å |
| 1016 | E | 85.8 | Confident | 73.8 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 147.7 | 172.8 | -84.7 | -179 | -120.8 | 0 | 0 | 110.3 | C968 I969 H970 G971 N1014 R1019 Y1021 S1045 | C968-E1016 WeakPolarHBondContact CA-OE1 3.39Å; C968-E1016 VanDerWaalsContact CB-OE1 3.23Å; C968-E1016 WeakPolarHBondContact CB-OE1 3.04Å; I969-E1016 PolarHBondContact N-OE1 3.36Å; I969-E1016 PolarHBondContact N-OE2 2.66Å; I969-E1016 VanDerWaalsContact N-OE2 3.12Å; H970-E1016 PolarHBondContact N-OE1 2.8Å; G971-E1016 PolarHBondContact N-OE1 2.93Å; N1014-E1016 PolarHBondContact O-N 3.03Å; E1016-R1019 HydrophobicContact CB-CB 4.27Å; E1016-R1019 HydrophobicContact CB-CG 3.38Å; E1016-R1019 HydrophobicContact CG-CG 4.37Å; E1016-R1019 IonicContact OE2-CZ 3.11Å; E1016-R1019 IonicContact OE2-NE 3.85Å; E1016-R1019 PolarHBondContact OE2-NE 3.03Å; E1016-R1019 IonicContact OE2-NH2 3.7Å; E1016-R1019 PolarHBondContact OE2-NH2 2.77Å; E1016-R1019 VanDerWaalsContact OE2-NH2 3.09Å; E1016-Y1021 PolarHBondContact N-OH 3.18Å; E1016-Y1021 VanDerWaalsContact N-OH 3.1Å; E1016-S1045 VanDerWaalsContact O-CB 3.26Å; E1016-S1045 WeakPolarHBondContact O-CB 2.9Å; E1016-S1045 PolarHBondContact O-OG 3.42Å |
| 1017 | T | 86.8 | Confident | 76.2 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 137.3 | 174.3 | 42.8 | 0 | 0 | 0 | 0 | 111.5 | P937 Y938 R1019 D1048 | P937-T1017 HydrophobicContact CB-CG2 3.98Å; Y938-T1017 HydrophobicContact CD1-CG2 3.71Å; Y938-T1017 HydrophobicContact CD2-CG2 4.12Å; Y938-T1017 HydrophobicContact CE1-CG2 3.58Å; Y938-T1017 HydrophobicContact CE2-CG2 3.99Å; Y938-T1017 HydrophobicContact CG-CG2 3.96Å; T1017-R1019 PolarHBondContact O-N 3.45Å; T1017-R1019 PolarHBondContact O-NH1 2.72Å; T1017-D1048 HydrophobicContact CG2-CB 3.5Å |
| 1018 | F | 86.6 | Confident | 78.2 | Confident | 16 Ų | 16 | 41 Ų | 41 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 55 | 177.1 | -164.3 | -118.7 | 0 | 0 | 0 | 114.2 | S1045 G1046 E1047 N1084 I1086 | F1018-S1045 PolarHBondContact N-OG 2.81Å; F1018-G1046 PolarHBondContact N-O 3.14Å; F1018-E1047 HydrophobicContact CD2-CG 3.91Å; F1018-E1047 HydrophobicContact CE2-CG 4.24Å; F1018-E1047 VanDerWaalsContact CE2-OE1 3.28Å; F1018-E1047 WeakPolarHBondContact CE2-OE1 2.85Å; F1018-N1084 WeakPolarHBondContact CB-O 3.4Å; F1018-I1086 HydrophobicContact CE2-CG1 3.83Å; F1018-I1086 HydrophobicContact CZ-CB 4.48Å; F1018-I1086 HydrophobicContact CZ-CG1 3.57Å |
| 1019 | R | 86.2 | Confident | 79.8 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | trans | -119 | 150.2 | 172.6 | -65 | -57 | 174.8 | -88.9 | -18.6 | 111.4 | D967 I969 E1016 T1017 Y1021 R1044 S1045 | D967-R1019 WeakPolarHBondContact OD1-CA 3.15Å; D967-R1019 VanDerWaalsContact OD1-CB 3.3Å; D967-R1019 WeakPolarHBondContact OD1-CB 3.32Å; D967-R1019 WeakPolarHBondContact OD1-CD 3.39Å; I969-R1019 VanDerWaalsContact CD1-NH2 3.35Å; E1016-R1019 HydrophobicContact CB-CB 4.27Å; E1016-R1019 HydrophobicContact CB-CG 3.38Å; E1016-R1019 HydrophobicContact CG-CG 4.37Å; E1016-R1019 IonicContact OE2-CZ 3.11Å; E1016-R1019 IonicContact OE2-NE 3.85Å; E1016-R1019 PolarHBondContact OE2-NE 3.03Å; E1016-R1019 IonicContact OE2-NH2 3.7Å; E1016-R1019 PolarHBondContact OE2-NH2 2.77Å; E1016-R1019 VanDerWaalsContact OE2-NH2 3.09Å; T1017-R1019 PolarHBondContact O-N 3.45Å; T1017-R1019 PolarHBondContact O-NH1 2.72Å; R1019-Y1021 HydrophobicContact CB-CD2 4.44Å; R1019-Y1021 HydrophobicContact CB-CE2 3.81Å; R1019-Y1021 VanDerWaalsContact O-CD2 3.31Å; R1019-Y1021 WeakPolarHBondContact O-CD2 3.15Å; R1019-R1044 CarbonylContact O-C 3.34Å; R1019-R1044 WeakPolarHBondContact O-CA 3.3Å; R1019-S1045 PolarHBondContact N-OG 3.2Å; R1019-S1045 PolarHBondContact O-N 2.83Å; R1019-S1045 PolarHBondContact O-OG 3.46Å | ||
| 1020 | T | 86.5 | Confident | 80.8 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 15% | 0.153 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.2 | -175.7 | -45.8 | 0 | 0 | 0 | 0 | 110.4 | L966 D967 G1043 R1044 | L966-T1020 WeakPolarHBondContact CB-O 3.44Å; L966-T1020 HydrophobicContact CD1-CG2 4.16Å; L966-T1020 PolarHBondContact N-O 2.78Å; D967-T1020 PolarHBondContact OD1-N 3.28Å; D967-T1020 WeakPolarHBondContact OD2-CB 3.46Å; D967-T1020 PolarHBondContact OD2-N 2.95Å; D967-T1020 PolarHBondContact OD2-OG1 2.91Å; T1020-G1043 CarbonylContact C-O 3.31Å; T1020-G1043 VanDerWaalsContact CA-O 3.26Å; T1020-G1043 WeakPolarHBondContact CA-O 3.45Å; T1020-G1043 WeakPolarHBondContact CG2-O 3.3Å; T1020-R1044 PolarHBondContact OG1-NE 3.11Å |
| 1021 | Y | 86 | Confident | 81.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.7 | 179.1 | -68.5 | -93.5 | 0 | 0 | 0 | 110.8 | L940 I963 N964 C965 C968 L995 I1015 E1016 R1019 T1042 G1043 | L940-Y1021 HydrophobicContact CD1-CD2 3.67Å; L940-Y1021 HydrophobicContact CD1-CE2 4.41Å; L940-Y1021 HydrophobicContact CD1-CG 4.05Å; L940-Y1021 HydrophobicContact CD2-CD1 3.97Å; L940-Y1021 HydrophobicContact CD2-CD2 3.97Å; L940-Y1021 HydrophobicContact CD2-CG 3.62Å; L940-Y1021 HydrophobicContact CG-CD2 4.4Å; L940-Y1021 HydrophobicContact CG-CG 4.49Å; I963-Y1021 HydrophobicContact CG2-CD1 4.11Å; N964-Y1021 CarbonylContact O-C 3.46Å; N964-Y1021 WeakPolarHBondContact O-CA 3.39Å; C965-Y1021 HydrophobicContact CB-CD1 3.76Å; C965-Y1021 HydrophobicContact CB-CE1 3.58Å; C968-Y1021 PolarHBondContact SG-OH 3.49Å; C968-Y1021 VanDerWaalsContact SG-OH 3.39Å; L995-Y1021 HydrophobicContact CD1-CD1 4.27Å; L995-Y1021 HydrophobicContact CD1-CE1 3.7Å; I1015-Y1021 WeakPolarHBondContact CA-OH 3.35Å; I1015-Y1021 HydrophobicContact CD1-CE1 3.82Å; I1015-Y1021 HydrophobicContact CD1-CE2 4.3Å; I1015-Y1021 HydrophobicContact CG2-CE2 4.07Å; E1016-Y1021 PolarHBondContact N-OH 3.18Å; E1016-Y1021 VanDerWaalsContact N-OH 3.1Å; R1019-Y1021 HydrophobicContact CB-CD2 4.44Å; R1019-Y1021 HydrophobicContact CB-CE2 3.81Å; R1019-Y1021 VanDerWaalsContact O-CD2 3.31Å; R1019-Y1021 WeakPolarHBondContact O-CD2 3.15Å; Y1021-T1042 WeakPolarHBondContact O-CA 3.45Å; Y1021-G1043 PolarHBondContact N-O 2.81Å; Y1021-G1043 PolarHBondContact O-N 3.39Å |
| 1022 | Q | 87.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 32.6 Ų | 32.6 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.9 | 167.7 | -176.1 | -175.2 | -44.1 | 0 | 0 | 109.3 | N964 L966 V1040 F1041 T1042 | N964-Q1022 PolarHBondContact N-O 2.74Å; N964-Q1022 PolarHBondContact O-N 3.23Å; L966-Q1022 HydrophobicContact CD1-CB 4.26Å; L966-Q1022 HydrophobicContact CD2-CB 4.05Å; L966-Q1022 HydrophobicContact CG-CB 4.22Å; Q1022-V1040 HydrophobicContact CG-CG1 3.57Å; Q1022-F1041 WeakPolarHBondContact CA-O 3.05Å; Q1022-T1042 HydrophobicContact CB-CG2 4.08Å; Q1022-T1042 HydrophobicContact CG-CG2 4.17Å |
| 1023 | V | 87.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.8 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | L930 V932 I942 L961 T962 I963 V1040 F1041 | L930-V1023 HydrophobicContact CD2-CG1 4.5Å; V932-V1023 HydrophobicContact CB-CG2 4.4Å; V932-V1023 HydrophobicContact CG1-CG2 3.99Å; V932-V1023 HydrophobicContact CG2-CB 3.68Å; V932-V1023 HydrophobicContact CG2-CG1 4.46Å; V932-V1023 HydrophobicContact CG2-CG2 3.53Å; I942-V1023 HydrophobicContact CD1-CG1 4.08Å; I942-V1023 HydrophobicContact CD1-CG2 3.87Å; I942-V1023 HydrophobicContact CG1-CG2 4.15Å; I942-V1023 HydrophobicContact CG2-CG1 3.96Å; L961-V1023 HydrophobicContact CD2-CG1 3.62Å; T962-V1023 CarbonylContact O-C 3.58Å; T962-V1023 VanDerWaalsContact O-CA 3.27Å; T962-V1023 WeakPolarHBondContact O-CA 2.62Å; I963-V1023 HydrophobicContact CG1-CG1 4.38Å; I963-V1023 HydrophobicContact CG1-CG2 4.24Å; I963-V1023 HydrophobicContact CG2-CG2 4.29Å; V1023-V1040 WeakPolarHBondContact O-CA 3.29Å; V1023-F1041 PolarHBondContact N-O 2.76Å; V1023-F1041 PolarHBondContact O-N 2.85Å |
| 1024 | T | 86.9 | Confident | 80.9 | Confident | 27 Ų | 27 | 28.4 Ų | 28.4 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.8 | 171.4 | 77.9 | 0 | 0 | 0 | 0 | 110.4 | L961 T962 L1039 V1040 | L961-T1024 CarbonylContact C-O 3.56Å; L961-T1024 VanDerWaalsContact CA-O 3.24Å; L961-T1024 WeakPolarHBondContact CA-O 3.14Å; T962-T1024 WeakPolarHBondContact CB-OG1 3.07Å; T962-T1024 PolarHBondContact N-O 2.82Å; T962-T1024 PolarHBondContact N-OG1 3.43Å; T962-T1024 PolarHBondContact O-N 3.44Å; T962-T1024 PolarHBondContact OG1-OG1 3.38Å; T1024-L1039 CarbonylContact C-O 3.24Å; T1024-L1039 WeakPolarHBondContact CA-O 3.22Å; T1024-V1040 HydrophobicContact CG2-CG1 4.37Å; T1024-V1040 HydrophobicContact CG2-CG2 4.03Å |
| 1025 | L | 87.3 | Confident | 80 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | -179.9 | 177.7 | 64 | 0 | 0 | 0 | 112.2 | N926 T927 L930 W944 Y959 R960 L961 P1038 L1039 | N926-L1025 PolarHBondContact ND2-O 2.75Å; T927-L1025 HydrophobicContact CG2-CD2 3.43Å; T927-L1025 VanDerWaalsContact CG2-CD2 3.43Å; T927-L1025 HydrophobicContact CG2-CG 4.2Å; L930-L1025 HydrophobicContact CB-CD2 4.21Å; L930-L1025 HydrophobicContact CD1-CB 4.35Å; L930-L1025 HydrophobicContact CD1-CD2 4.09Å; L930-L1025 HydrophobicContact CD2-CB 3.85Å; W944-L1025 HydrophobicContact CB-CD2 3.31Å; W944-L1025 HydrophobicContact CD2-CD1 4.44Å; W944-L1025 HydrophobicContact CD2-CD2 4.03Å; W944-L1025 HydrophobicContact CG-CD2 3.47Å; W944-L1025 VanDerWaalsContact CG-CD2 3.47Å; Y959-L1025 HydrophobicContact CD1-CD1 4.1Å; Y959-L1025 HydrophobicContact CG-CD1 4.12Å; R960-L1025 CarbonylContact O-C 3.6Å; R960-L1025 WeakPolarHBondContact O-CA 3.19Å; L961-L1025 HydrophobicContact CD2-CB 4.21Å; L961-L1025 HydrophobicContact CD2-CD1 3.68Å; L961-L1025 HydrophobicContact CD2-CG 4.49Å; L961-L1025 HydrophobicContact CG-CD1 4.18Å; L1025-P1038 CarbonylContact O-C 3.44Å; L1025-P1038 VanDerWaalsContact O-CA 3.23Å; L1025-P1038 WeakPolarHBondContact O-CA 3.4Å; L1025-P1038 WeakPolarHBondContact O-CB 3.47Å; L1025-L1039 HydrophobicContact CB-CB 4.37Å; L1025-L1039 HydrophobicContact CB-CD1 4.03Å; L1025-L1039 HydrophobicContact CD2-CD1 4.15Å; L1025-L1039 HydrophobicContact CG-CD1 4.1Å; L1025-L1039 PolarHBondContact N-O 2.92Å; L1025-L1039 PolarHBondContact O-N 2.89Å |
| 1026 | Q | 86.7 | Confident | 79.1 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 118 | -172.8 | -170.8 | 164 | 45.7 | 0 | 0 | 112 | Y959 R960 P1038 I1671 | Y959-Q1026 WeakPolarHBondContact CA-O 3.34Å; R960-Q1026 HydrophobicContact CB-CB 4.23Å; R960-Q1026 PolarHBondContact N-O 2.73Å; R960-Q1026 PolarHBondContact O-N 3.47Å; Q1026-P1038 HydrophobicContact CB-CB 4.12Å; Q1026-P1038 HydrophobicContact CG-CB 4.46Å; Q1026-I1671 HydrophobicContact CG-CD1 3.4Å; Q1026-I1671 VanDerWaalsContact CG-CD1 3.4Å |
| 1027 | A | 85.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I923 N926 I947 L957 I958 Y959 I1671 | I923-A1027 WeakPolarHBondContact CG2-O 2.88Å; N926-A1027 VanDerWaalsContact OD1-CB 3.26Å; N926-A1027 WeakPolarHBondContact OD1-CB 3.2Å; N926-A1027 PolarHBondContact OD1-N 2.76Å; I947-A1027 HydrophobicContact CD1-CB 3.48Å; I947-A1027 VanDerWaalsContact CD1-CB 3.48Å; L957-A1027 HydrophobicContact CD1-CB 4.06Å; I958-A1027 WeakPolarHBondContact O-CA 2.87Å; Y959-A1027 HydrophobicContact CD1-CB 3.77Å; Y959-A1027 HydrophobicContact CE1-CB 3.82Å; A1027-I1671 WeakPolarHBondContact O-CD1 3.41Å; A1027-I1671 WeakPolarHBondContact O-CG1 3.42Å |
| 1028 | E | 82.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.9 | -174 | -59.4 | 166.1 | -173 | 0 | 0 | 109.3 | L957 I958 R960 N1667 Q1668 I1671 | L957-E1028 CarbonylContact C-O 2.76Å; L957-E1028 VanDerWaalsContact CA-O 3.31Å; L957-E1028 WeakPolarHBondContact CA-O 3.02Å; I958-E1028 HydrophobicContact CD1-CB 4.44Å; I958-E1028 HydrophobicContact CG1-CB 3.96Å; I958-E1028 WeakPolarHBondContact CG1-O 3.32Å; I958-E1028 PolarHBondContact N-O 3.09Å; I958-E1028 PolarHBondContact O-N 2.98Å; R960-E1028 IonicContact NE-OE1 2.81Å; R960-E1028 PolarHBondContact NE-OE1 2.83Å; E1028-N1667 WeakPolarHBondContact OE2-CB 3.1Å; E1028-N1667 PolarHBondContact OE2-ND2 2.83Å; E1028-Q1668 VanDerWaalsContact CD-CG 3.46Å; E1028-Q1668 HydrophobicContact CG-CG 4.19Å; E1028-Q1668 PolarHBondContact OE1-NE2 2.84Å; E1028-Q1668 WeakPolarHBondContact OE2-CG 3.33Å; E1028-I1671 HydrophobicContact CG-CD1 3.93Å |
| 1029 | N | 74.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -104.5 | 174.9 | 170.9 | 95.6 | 11.4 | 0 | 0 | 0 | 110.4 | K921 I923 H952 P955 L957 L1031 G1032 | K921-N1029 PolarHBondContact O-ND2 2.81Å; I923-N1029 HydrophobicContact CB-CB 4.31Å; I923-N1029 HydrophobicContact CG2-CB 4.17Å; I923-N1029 PolarHBondContact N-ND2 2.92Å; I923-N1029 VanDerWaalsContact N-ND2 3.15Å; H952-N1029 PolarHBondContact O-ND2 3Å; P955-N1029 VanDerWaalsContact O-CB 3.32Å; P955-N1029 WeakPolarHBondContact O-CB 3.03Å; L957-N1029 HydrophobicContact CD1-CB 4.2Å; N1029-L1031 PolarHBondContact O-N 2.91Å; N1029-L1031 WeakPolarHBondContact OD1-CA 3.42Å; N1029-L1031 VanDerWaalsContact OD1-CB 3.3Å; N1029-L1031 WeakPolarHBondContact OD1-CB 3.14Å; N1029-L1031 PolarHBondContact OD1-N 3.27Å; N1029-G1032 PolarHBondContact N-O 2.66Å; N1029-G1032 WeakPolarHBondContact O-CA 3.32Å; N1029-G1032 PolarHBondContact O-N 3.49Å; N1029-G1032 PolarHBondContact OD1-N 2.87Å; N1029-G1032 PolarHBondContact OD1-O 3.25Å |
| 1030 | Y | 68.4 | Low | 78.3 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.8 | -177.5 | -63.3 | -38.8 | 0 | 0 | 0 | 115 | V206 H207 I764 P955 | V206-Y1030 PolarHBondContact O-OH 3.43Å; V206-Y1030 VanDerWaalsContact O-OH 3.08Å; H207-Y1030 HydrophobicContact CB-CE2 3.75Å; I764-Y1030 HydrophobicContact CD1-CD2 3.33Å; I764-Y1030 HydrophobicContact CD1-CE2 3.28Å; I764-Y1030 HydrophobicContact CD1-CG 4.41Å; I764-Y1030 HydrophobicContact CG1-CD2 3.73Å; I764-Y1030 HydrophobicContact CG1-CE2 3.58Å; P955-Y1030 HydrophobicContact CB-CD2 3.98Å; P955-Y1030 HydrophobicContact CG-CD2 3.93Å; P955-Y1030 PolarHBondContact O-N 3.13Å |
| 1031 | L | 64.9 | Low | 78.2 | Confident | 73 Ų | 73 | 41.3 Ų | 41.3 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.1 | 166.9 | -59 | 172.3 | 0 | 0 | 0 | 111.9 | P920 P922 N1029 S1033 | P920-L1031 HydrophobicContact CB-CD1 4.22Å; P920-L1031 HydrophobicContact CG-CD1 4.27Å; P922-L1031 HydrophobicContact CB-CB 4.32Å; P922-L1031 HydrophobicContact CG-CB 4.19Å; N1029-L1031 PolarHBondContact O-N 2.91Å; N1029-L1031 WeakPolarHBondContact OD1-CA 3.42Å; N1029-L1031 VanDerWaalsContact OD1-CB 3.3Å; N1029-L1031 WeakPolarHBondContact OD1-CB 3.14Å; N1029-L1031 PolarHBondContact OD1-N 3.27Å; L1031-S1033 PolarHBondContact O-N 2.9Å |
| 1032 | G | 69.9 | Low | 78.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | 63.3 | -128.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I923 N1029 | I923-G1032 PolarHBondContact N-O 2.84Å; N1029-G1032 PolarHBondContact N-O 2.66Å; N1029-G1032 WeakPolarHBondContact O-CA 3.32Å; N1029-G1032 PolarHBondContact O-N 3.49Å; N1029-G1032 PolarHBondContact OD1-N 2.87Å; N1029-G1032 PolarHBondContact OD1-O 3.25Å |
| 1033 | S | 71.2 | Confident | 78 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | trans | 179.9 | -162.2 | -170 | 43.2 | 0 | 0 | 0 | 0 | 109.9 | I923 L1031 S1669 L1670 I1671 | I923-S1033 WeakPolarHBondContact O-CA 3.33Å; I923-S1033 WeakPolarHBondContact O-CB 3.08Å; L1031-S1033 PolarHBondContact O-N 2.9Å; S1033-S1669 CarbonylContact O-C 3.6Å; S1033-L1670 PolarHBondContact O-N 3.06Å; S1033-I1671 VanDerWaalsContact CB-O 3.25Å; S1033-I1671 WeakPolarHBondContact CB-O 3.27Å; S1033-I1671 WeakPolarHBondContact OG-CA 3.45Å; S1033-I1671 VanDerWaalsContact OG-CB 3.22Å; S1033-I1671 WeakPolarHBondContact OG-CB 2.85Å; S1033-I1671 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 1034 | S | 60 | Low | 78 | Confident | 72 Ų | 72 | 46 Ų | 46 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -135 | -27.6 | -179.8 | 60.6 | 0 | 0 | 0 | 0 | 126.4 | L1670 I1671 T1672 | S1034-L1670 CarbonylContact C-O 3.58Å; S1034-L1670 WeakPolarHBondContact CA-O 3.43Å; S1034-L1670 VanDerWaalsContact N-C 3.3Å; S1034-I1671 VanDerWaalsContact CA-N 3.26Å; S1034-T1672 CarbonylContact C-O 3.49Å; S1034-T1672 WeakPolarHBondContact CA-O 3.25Å; S1034-T1672 WeakPolarHBondContact CB-O 3.39Å; S1034-T1672 VanDerWaalsContact N-N 3.17Å; S1034-T1672 PolarHBondContact OG-O 3.31Å |
| 1035 | G | 63.6 | Low | 78 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | trans | -171 | 54.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1670 T1672 | G1035-L1670 VanDerWaalsContact CA-O 3.31Å; G1035-L1670 WeakPolarHBondContact CA-O 3.41Å; G1035-L1670 PolarHBondContact N-O 3.42Å; G1035-T1672 PolarHBondContact N-O 3.26Å; G1035-T1672 PolarHBondContact O-OG1 2.63Å | ||
| 1036 | T | 67.6 | Low | 77.8 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 154.1 | 175.7 | -25 | 0 | 0 | 0 | 0 | 110.6 | N926 I1671 T1672 | N926-T1036 HydrophobicContact CB-CG2 3.62Å; T1036-I1671 VanDerWaalsContact N-CA 3.31Å; T1036-I1671 WeakPolarHBondContact O-CG2 3.26Å; T1036-I1671 WeakPolarHBondContact OG1-CA 3.37Å; T1036-I1671 WeakPolarHBondContact OG1-CB 3.29Å; T1036-I1671 WeakPolarHBondContact OG1-CG1 3.24Å; T1036-I1671 PolarHBondContact OG1-O 2.89Å; T1036-T1672 VanDerWaalsContact CA-OG1 3.3Å; T1036-T1672 WeakPolarHBondContact CA-OG1 3.32Å; T1036-T1672 HydrophobicContact CG2-CG2 3.5Å; T1036-T1672 PolarHBondContact N-OG1 3.01Å; T1036-T1672 WeakPolarHBondContact OG1-CG2 3.41Å; T1036-T1672 PolarHBondContact OG1-N 2.84Å |
| 1037 | K | 76 | Confident | 78 | Confident | 180 Ų | 180 | 44.4 Ų | 44.4 | 78% | 0.783 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -74.2 | 135.8 | 163.2 | -61.1 | 176.2 | -176.5 | 176.6 | 0 | 109 | N926 | N926-K1037 PolarHBondContact ND2-O 3.36Š|
| 1038 | P | 81.4 | Confident | 78.1 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 144.3 | 161.1 | 29 | -33.9 | 0 | 0 | 0 | 108.3 | L1025 Q1026 | L1025-P1038 CarbonylContact O-C 3.44Å; L1025-P1038 VanDerWaalsContact O-CA 3.23Å; L1025-P1038 WeakPolarHBondContact O-CA 3.4Å; L1025-P1038 WeakPolarHBondContact O-CB 3.47Å; Q1026-P1038 HydrophobicContact CB-CB 4.12Å; Q1026-P1038 HydrophobicContact CG-CB 4.46Å |
| 1039 | L | 84.9 | Confident | 78.4 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 148.5 | 165.5 | -55.5 | 94.3 | 0 | 0 | 0 | 107.6 | N926 T927 L930 T1024 L1025 | N926-L1039 HydrophobicContact CB-CD1 4.5Å; N926-L1039 WeakPolarHBondContact ND2-CD1 3.28Å; T927-L1039 HydrophobicContact CG2-CD1 3.58Å; T927-L1039 HydrophobicContact CG2-CD2 4.42Å; T927-L1039 VanDerWaalsContact O-CD1 3.3Å; T927-L1039 WeakPolarHBondContact O-CD1 2.9Å; T927-L1039 WeakPolarHBondContact O-CD2 3.14Å; L930-L1039 HydrophobicContact CB-CB 4.15Å; L930-L1039 HydrophobicContact CB-CD2 3.88Å; L930-L1039 HydrophobicContact CD2-CB 4.01Å; T1024-L1039 CarbonylContact C-O 3.24Å; T1024-L1039 WeakPolarHBondContact CA-O 3.22Å; L1025-L1039 HydrophobicContact CB-CB 4.37Å; L1025-L1039 HydrophobicContact CB-CD1 4.03Å; L1025-L1039 HydrophobicContact CD2-CD1 4.15Å; L1025-L1039 HydrophobicContact CG-CD1 4.1Å; L1025-L1039 PolarHBondContact N-O 2.92Å; L1025-L1039 PolarHBondContact O-N 2.89Å |
| 1040 | V | 85.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.1 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | Q1022 V1023 T1024 | Q1022-V1040 HydrophobicContact CG-CG1 3.57Å; V1023-V1040 WeakPolarHBondContact O-CA 3.29Å; T1024-V1040 HydrophobicContact CG2-CG1 4.37Å; T1024-V1040 HydrophobicContact CG2-CG2 4.03Å |
| 1041 | F | 85.6 | Confident | 80.2 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 33% | 0.333 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.1 | 178.6 | -168.8 | -82.4 | 0 | 0 | 0 | 109.9 | L930 I931 V932 Q1022 V1023 | L930-F1041 HydrophobicContact CB-CB 4.44Å; L930-F1041 HydrophobicContact CD2-CB 3.61Å; L930-F1041 HydrophobicContact CG-CB 3.71Å; L930-F1041 WeakPolarHBondContact O-CD2 3.22Å; L930-F1041 WeakPolarHBondContact O-CG 3.17Å; I931-F1041 HydrophobicContact CB-CZ 4.34Å; I931-F1041 HydrophobicContact CG2-CE2 4.25Å; I931-F1041 HydrophobicContact CG2-CZ 4.34Å; V932-F1041 HydrophobicContact CB-CD1 3.74Å; V932-F1041 HydrophobicContact CB-CE1 4.18Å; V932-F1041 HydrophobicContact CG2-CB 4.31Å; V932-F1041 HydrophobicContact CG2-CD1 3.81Å; V932-F1041 HydrophobicContact CG2-CG 4.45Å; V932-F1041 VanDerWaalsContact N-CD1 3.33Å; V932-F1041 VanDerWaalsContact N-CE1 3.29Å; Q1022-F1041 WeakPolarHBondContact CA-O 3.05Å; V1023-F1041 PolarHBondContact N-O 2.76Å; V1023-F1041 PolarHBondContact O-N 2.85Å |
| 1042 | T | 84.9 | Confident | 81.3 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.5 | 174.9 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | L966 Y1021 Q1022 | L966-T1042 HydrophobicContact CD1-CG2 3.99Å; Y1021-T1042 WeakPolarHBondContact O-CA 3.45Å; Q1022-T1042 HydrophobicContact CB-CG2 4.08Å; Q1022-T1042 HydrophobicContact CG-CG2 4.17Å |
| 1043 | G | 82.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 179.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V932 T1020 Y1021 | V932-G1043 WeakPolarHBondContact O-CA 2.75Å; T1020-G1043 CarbonylContact C-O 3.31Å; T1020-G1043 VanDerWaalsContact CA-O 3.26Å; T1020-G1043 WeakPolarHBondContact CA-O 3.45Å; T1020-G1043 WeakPolarHBondContact CG2-O 3.3Å; Y1021-G1043 PolarHBondContact N-O 2.81Å; Y1021-G1043 PolarHBondContact O-N 3.39Å |
| 1044 | R | 87.2 | Confident | 83 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.6 | 164.1 | -76.5 | -175.5 | 168.6 | 169.4 | -6.1 | 111.2 | Y933 G934 R1019 T1020 | Y933-R1044 CarbonylContact C-O 3.49Å; Y933-R1044 WeakPolarHBondContact CA-O 3.1Å; G934-R1044 PolarHBondContact N-O 3.11Å; R1019-R1044 CarbonylContact O-C 3.34Å; R1019-R1044 WeakPolarHBondContact O-CA 3.3Å; T1020-R1044 PolarHBondContact OG1-NE 3.11Å |
| 1045 | S | 87.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 164.5 | 160.8 | 52 | 0 | 0 | 0 | 0 | 110.7 | N939 I1015 E1016 F1018 R1019 | N939-S1045 VanDerWaalsContact O-CA 3.3Å; N939-S1045 WeakPolarHBondContact O-CA 3.44Å; N939-S1045 VanDerWaalsContact O-CB 3.31Å; N939-S1045 WeakPolarHBondContact O-CB 3.45Å; I1015-S1045 VanDerWaalsContact CG2-CB 3.41Å; E1016-S1045 VanDerWaalsContact O-CB 3.26Å; E1016-S1045 WeakPolarHBondContact O-CB 2.9Å; E1016-S1045 PolarHBondContact O-OG 3.42Å; F1018-S1045 PolarHBondContact N-OG 2.81Å; R1019-S1045 PolarHBondContact N-OG 3.2Å; R1019-S1045 PolarHBondContact O-N 2.83Å; R1019-S1045 PolarHBondContact O-OG 3.46Å |
| 1046 | G | 84.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 151.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G934 K936 N939 F1018 | G934-G1046 VanDerWaalsContact C-CA 3.5Å; K936-G1046 WeakPolarHBondContact O-CA 2.55Å; N939-G1046 PolarHBondContact O-N 2.96Å; F1018-G1046 PolarHBondContact N-O 3.14Å |
| 1047 | E | 89 | Confident | 86.7 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 162.6 | 170.5 | -51.5 | -156.7 | 156.7 | 0 | 0 | 110 | F1018 N1084 G1085 I1086 N1192 I1193 Y1195 | F1018-E1047 HydrophobicContact CD2-CG 3.91Å; F1018-E1047 HydrophobicContact CE2-CG 4.24Å; F1018-E1047 VanDerWaalsContact CE2-OE1 3.28Å; F1018-E1047 WeakPolarHBondContact CE2-OE1 2.85Å; E1047-N1084 CarbonylContact C-O 3.54Å; E1047-N1084 VanDerWaalsContact CA-O 3.24Å; E1047-N1084 WeakPolarHBondContact CA-O 3.2Å; E1047-N1084 WeakPolarHBondContact CB-O 3.48Å; E1047-G1085 WeakPolarHBondContact OE1-CA 3.23Å; E1047-G1085 WeakPolarHBondContact OE2-CA 3.43Å; E1047-I1086 PolarHBondContact OE1-N 2.94Å; E1047-I1086 PolarHBondContact OE2-N 2.82Å; E1047-N1192 VanDerWaalsContact OE2-CB 3.23Å; E1047-N1192 WeakPolarHBondContact OE2-CB 3.44Å; E1047-N1192 PolarHBondContact OE2-OD1 2.95Å; E1047-I1193 WeakPolarHBondContact OE2-CB 3.33Å; E1047-I1193 PolarHBondContact OE2-N 2.92Å; E1047-Y1195 HydrophobicContact CB-CD2 4.28Å; E1047-Y1195 HydrophobicContact CB-CE2 4.45Å; E1047-Y1195 WeakPolarHBondContact O-CE2 2.83Å |
| 1048 | D | 88.7 | Confident | 87.4 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -136.8 | 171.5 | 177 | -179.9 | 28.7 | 0 | 0 | 0 | 109.6 | P937 T1017 P1050 N1084 N1192 | P937-D1048 HydrophobicContact CB-CB 3.91Å; P937-D1048 HydrophobicContact CG-CB 3.97Å; P937-D1048 VanDerWaalsContact CG-OD1 3.27Å; P937-D1048 WeakPolarHBondContact CG-OD1 3.49Å; T1017-D1048 HydrophobicContact CG2-CB 3.5Å; D1048-P1050 WeakPolarHBondContact O-CD 2.82Å; D1048-N1084 HydrophobicContact CB-CB 3.96Å; D1048-N1084 PolarHBondContact N-O 2.85Å; D1048-N1084 VanDerWaalsContact O-CB 3.27Å; D1048-N1084 WeakPolarHBondContact O-CB 3.46Å; D1048-N1084 PolarHBondContact OD2-ND2 2.79Å; D1048-N1192 PolarHBondContact O-ND2 2.66Å | ||
| 1049 | I | 89.3 | Confident | 87.7 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 40% | 0.395 | 21% | 0.212 | S | C | . | . | trans | -57.6 | 125.2 | -176.1 | -59.9 | 175.6 | 0 | 0 | 0 | 109.3 | Q1051 N1084 Y1195 | I1049-Q1051 PolarHBondContact O-N 3.41Å; I1049-Q1051 PolarHBondContact O-NE2 3.48Å; I1049-N1084 PolarHBondContact O-ND2 2.65Å; I1049-Y1195 HydrophobicContact CG1-CD1 4.06Å; I1049-Y1195 HydrophobicContact CG1-CG 4.25Å | ||
| 1050 | P | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -56.7 | 135.4 | 174.2 | -23.8 | 31.9 | 0 | 0 | 0 | 110.8 | D1048 L1052 M1083 I1190 N1192 P1198 | D1048-P1050 WeakPolarHBondContact O-CD 2.82Å; P1050-L1052 VanDerWaalsContact C-N 3.28Å; P1050-L1052 PolarHBondContact O-N 2.56Å; P1050-M1083 HydrophobicContact CB-CE 4.04Å; P1050-M1083 HydrophobicContact CB-SD 4.44Å; P1050-M1083 HydrophobicContact CG-CE 3.79Å; P1050-I1190 HydrophobicContact CB-CG2 4.22Å; P1050-N1192 HydrophobicContact CG-CB 4.21Å; P1050-P1198 WeakPolarHBondContact O-CD 3.19Å | ||
| 1051 | Q | 89.2 | Confident | 87.9 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | trans | -95.9 | 24 | -179.1 | -56.5 | -61.7 | -51.7 | 0 | 0 | 112.1 | I1049 K1082 T1879 I1880 | I1049-Q1051 PolarHBondContact O-N 3.41Å; I1049-Q1051 PolarHBondContact O-NE2 3.48Å; Q1051-K1082 HydrophobicContact CB-CB 4.34Å; Q1051-K1082 WeakPolarHBondContact CB-O 3.29Å; Q1051-K1082 PolarHBondContact N-O 3.1Å; Q1051-T1879 HydrophobicContact CG-CG2 3.88Å; Q1051-T1879 WeakPolarHBondContact CG-OG1 3.45Å; Q1051-T1879 PolarHBondContact OE1-OG1 2.97Å; Q1051-I1880 HydrophobicContact CB-CD1 3.9Å; Q1051-I1880 HydrophobicContact CB-CG1 4.11Å; Q1051-I1880 WeakPolarHBondContact O-CD1 2.9Å | ||
| 1052 | L | 87.4 | Confident | 88 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | trans | -118.7 | 140.6 | -176.8 | -63.1 | 168.8 | 0 | 0 | 0 | 109.4 | P1050 I1074 D1076 F1079 K1082 M1083 I1190 | P1050-L1052 VanDerWaalsContact C-N 3.28Å; P1050-L1052 PolarHBondContact O-N 2.56Å; L1052-I1074 HydrophobicContact CD1-CG2 4.36Å; L1052-I1074 HydrophobicContact CD2-CG2 4.2Å; L1052-D1076 HydrophobicContact CD2-CB 4.32Å; L1052-F1079 HydrophobicContact CD1-CD2 3.45Å; L1052-F1079 VanDerWaalsContact CD1-CD2 3.45Å; L1052-F1079 HydrophobicContact CD1-CE2 3.55Å; L1052-F1079 HydrophobicContact CD1-CG 4.2Å; L1052-F1079 HydrophobicContact CD1-CZ 4.37Å; L1052-K1082 HydrophobicContact CD1-CB 4.17Å; L1052-K1082 HydrophobicContact CD2-CB 3.67Å; L1052-K1082 HydrophobicContact CD2-CD 3.76Å; L1052-K1082 HydrophobicContact CD2-CG 4.36Å; L1052-K1082 HydrophobicContact CG-CB 3.73Å; L1052-M1083 HydrophobicContact CD1-CB 4.41Å; L1052-M1083 HydrophobicContact CD1-SD 4.13Å; L1052-I1190 HydrophobicContact CB-CD1 3.6Å | ||
| 1053 | T | 88.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 34% | 0.344 | 21% | 0.212 | S | C | . | . | trans | -108.4 | 148.6 | 169.5 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | P1198 E1199 | T1053-P1198 HydrophobicContact CG2-CB 3.79Å; T1053-P1198 HydrophobicContact CG2-CG 3.54Å; T1053-E1199 VanDerWaalsContact CG2-O 3.29Å; T1053-E1199 WeakPolarHBondContact CG2-O 3.04Å | ||
| 1054 | P | 88.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | trans | -64.1 | 139.7 | 157.1 | -14.1 | 28.7 | 0 | 0 | 0 | 110 | W1071 F1090 V1188 I1190 S1200 | P1054-W1071 HydrophobicContact CB-CB 4.45Å; P1054-W1071 HydrophobicContact CB-CG 4.16Å; P1054-F1090 HydrophobicContact CG-CD1 4.22Å; P1054-F1090 HydrophobicContact CG-CE1 4.3Å; P1054-V1188 HydrophobicContact CB-CB 4.35Å; P1054-V1188 HydrophobicContact CB-CG1 4.39Å; P1054-V1188 HydrophobicContact CG-CB 3.93Å; P1054-V1188 HydrophobicContact CG-CG1 3.8Å; P1054-V1188 WeakPolarHBondContact CG-O 3.39Å; P1054-I1190 HydrophobicContact CG-CD1 4.48Å; P1054-I1190 HydrophobicContact CG-CG1 4.04Å; P1054-S1200 WeakPolarHBondContact O-CB 3.03Å | ||
| 1055 | I | 88.5 | Confident | 87.6 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | trans | -122.5 | 157.1 | -179.5 | 65.2 | 176 | 0 | 0 | 0 | 111.7 | L1057 K1072 | I1055-L1057 PolarHBondContact O-N 3.06Å; I1055-K1072 HydrophobicContact CD1-CD 4.38Å; I1055-K1072 HydrophobicContact CG1-CB 4.11Å; I1055-K1072 HydrophobicContact CG1-CD 4.46Å; I1055-K1072 WeakPolarHBondContact O-CB 3.47Å; I1055-K1072 PolarHBondContact O-N 2.69Å | ||
| 1056 | E | 88.6 | Confident | 87.5 | Confident | 74 Ų | 74 | 45 Ų | 45 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 56.3 | 42.7 | -178.4 | -62.7 | -166.4 | -129.4 | 0 | 0 | 113.8 | K1058 K1072 Y1170 | E1056-K1058 WeakPolarHBondContact O-CE 3.3Å; E1056-K1058 WeakPolarHBondContact O-CG 3.33Å; E1056-K1058 PolarHBondContact O-N 3.11Å; E1056-K1058 IonicContact OE2-NZ 2.77Å; E1056-K1058 PolarHBondContact OE2-NZ 2.71Å; E1056-K1072 HydrophobicContact CB-CB 4.25Å; E1056-K1072 HydrophobicContact CG-CD 4.31Å; E1056-K1072 WeakPolarHBondContact OE1-CD 3.15Å; E1056-K1072 WeakPolarHBondContact OE1-CE 2.86Å; E1056-K1072 IonicContact OE1-NZ 3.51Å; E1056-K1072 PolarHBondContact OE1-NZ 2.9Å; E1056-Y1170 HydrophobicContact CB-CE1 4.42Å; E1056-Y1170 PolarHBondContact OE2-OH 2.75Å |
| 1057 | L | 91.2 | Very high | 87.7 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | trans | -60.5 | 132.1 | 172.1 | -171.8 | 67 | 0 | 0 | 0 | 110.3 | I1055 S1070 W1071 V1188 D1201 I1203 | I1055-L1057 PolarHBondContact O-N 3.06Å; L1057-S1070 CarbonylContact C-O 3.17Å; L1057-S1070 WeakPolarHBondContact CA-O 3.29Å; L1057-W1071 HydrophobicContact CD1-CB 4Å; L1057-W1071 HydrophobicContact CD1-CD2 4.33Å; L1057-W1071 HydrophobicContact CD1-CE3 3.67Å; L1057-V1188 HydrophobicContact CD1-CG2 3.67Å; L1057-V1188 HydrophobicContact CD2-CG2 4.06Å; L1057-D1201 WeakPolarHBondContact CD2-O 2.94Å; L1057-I1203 HydrophobicContact CB-CD1 4.27Å; L1057-I1203 HydrophobicContact CD2-CD1 4.03Å; L1057-I1203 HydrophobicContact CD2-CG1 4.11Å; L1057-I1203 HydrophobicContact CG-CD1 3.72Å; L1057-I1203 HydrophobicContact CG-CG1 4.3Å | ||
| 1058 | K | 90.5 | Very high | 87.8 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 160.9 | -174.4 | -69.4 | 158.8 | -164.9 | 167.7 | 0 | 110.1 | E1056 L1069 S1070 Y1170 | E1056-K1058 WeakPolarHBondContact O-CE 3.3Å; E1056-K1058 WeakPolarHBondContact O-CG 3.33Å; E1056-K1058 PolarHBondContact O-N 3.11Å; E1056-K1058 IonicContact OE2-NZ 2.77Å; E1056-K1058 PolarHBondContact OE2-NZ 2.71Å; K1058-L1069 WeakPolarHBondContact O-CA 3.44Å; K1058-S1070 PolarHBondContact N-O 2.93Å; K1058-S1070 PolarHBondContact O-N 3.24Å; K1058-Y1170 PolarHBondContact NZ-OH 3.49Å |
| 1059 | I | 88.5 | Confident | 87.9 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.4 | 170.3 | -68.3 | 178.1 | 0 | 0 | 0 | 109 | I1062 I1067 T1068 L1069 I1203 V1205 | I1059-I1062 HydrophobicContact CG2-CD1 4.13Å; I1059-I1062 HydrophobicContact CG2-CG1 3.66Å; I1059-I1067 HydrophobicContact CD1-CG2 4.08Å; I1059-I1067 HydrophobicContact CG1-CG2 4.19Å; I1059-I1067 HydrophobicContact CG2-CG2 3.96Å; I1059-T1068 WeakPolarHBondContact CA-O 3.12Å; I1059-L1069 HydrophobicContact CD1-CD2 4.46Å; I1059-L1069 HydrophobicContact CG1-CD2 3.79Å; I1059-I1203 HydrophobicContact CD1-CG2 3.63Å; I1059-I1203 HydrophobicContact CG1-CD1 4.15Å; I1059-I1203 HydrophobicContact CG1-CG2 4.26Å; I1059-V1205 HydrophobicContact CD1-CB 3.56Å; I1059-V1205 HydrophobicContact CD1-CG1 3.69Å; I1059-V1205 HydrophobicContact CD1-CG2 3.72Å |
| 1060 | L | 88.7 | Confident | 88.1 | Confident | 99 Ų | 99 | 41.3 Ų | 41.3 | 52% | 0.518 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -34.2 | 178.3 | -59 | -177.3 | 0 | 0 | 0 | 112.5 | T1068 I1172 | L1060-T1068 HydrophobicContact CB-CG2 4.28Å; L1060-T1068 HydrophobicContact CD1-CG2 4.4Å; L1060-T1068 PolarHBondContact N-O 2.96Å; L1060-I1172 HydrophobicContact CD1-CD1 4.17Å; L1060-I1172 HydrophobicContact CD1-CG1 4.33Å; L1060-I1172 HydrophobicContact CD1-CG2 3.88Å |
| 1061 | H | 86.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 41.3 Ų | 41.3 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 151.4 | -179.8 | -159.6 | -102.1 | 0 | 0 | 0 | 112.5 | N1063 I1067 T1068 | H1061-N1063 PolarHBondContact CE1-ND2 2.66Å; H1061-N1063 PolarHBondContact CE1-OD1 2.9Å; H1061-N1063 VanDerWaalsContact CE1-OD1 3.25Å; H1061-N1063 PolarHBondContact ND1-ND2 2.79Å; H1061-I1067 WeakPolarHBondContact O-CA 3.49Å; H1061-T1068 PolarHBondContact O-N 2.68Å |
| 1062 | I | 86.5 | Confident | 88.1 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.3 | 179.5 | -56.1 | 164.1 | 0 | 0 | 0 | 108.9 | I1059 I1067 V1205 E1206 K1208 | I1059-I1062 HydrophobicContact CG2-CD1 4.13Å; I1059-I1062 HydrophobicContact CG2-CG1 3.66Å; I1062-I1067 HydrophobicContact CG2-CG1 4.26Å; I1062-V1205 HydrophobicContact CD1-CG2 3.47Å; I1062-V1205 VanDerWaalsContact CD1-CG2 3.47Å; I1062-V1205 HydrophobicContact CG1-CG2 3.86Å; I1062-V1205 HydrophobicContact CG2-CG2 4.37Å; I1062-E1206 WeakPolarHBondContact CG2-O 3.03Å; I1062-K1208 WeakPolarHBondContact O-CE 3.44Å; I1062-K1208 PolarHBondContact O-NZ 2.61Å |
| 1063 | N | 83.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | trans | -117.6 | -164.9 | 168.7 | -74.9 | -45 | 0 | 0 | 0 | 110.4 | H1061 N1066 K1208 | H1061-N1063 PolarHBondContact CE1-ND2 2.66Å; H1061-N1063 PolarHBondContact CE1-OD1 2.9Å; H1061-N1063 VanDerWaalsContact CE1-OD1 3.25Å; H1061-N1063 PolarHBondContact ND1-ND2 2.79Å; N1063-N1066 WeakPolarHBondContact CB-OD1 2.98Å; N1063-N1066 PolarHBondContact N-O 2.85Å; N1063-N1066 PolarHBondContact ND2-OD1 2.91Å; N1063-K1208 PolarHBondContact O-N 3.03Å | ||
| 1064 | S | 80.7 | Confident | 87.4 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -80.2 | -36.1 | 170.6 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | P1179 G1180 K1208 E1209 | S1064-P1179 CarbonylContact O-C 3.59Å; S1064-G1180 VanDerWaalsContact O-CA 3.26Å; S1064-G1180 WeakPolarHBondContact O-CA 3.1Å; S1064-G1180 PolarHBondContact O-N 2.87Å; S1064-K1208 WeakPolarHBondContact CA-O 3.3Å; S1064-K1208 WeakPolarHBondContact CB-O 3.48Å; S1064-E1209 WeakPolarHBondContact CB-O 3.17Å |
| 1065 | N | 82.6 | Confident | 86.5 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -114.1 | -6.8 | -175.2 | 66.2 | -15.6 | 0 | 0 | 0 | 115.3 | N1176 E1177 L1178 | N1065-N1176 CarbonylContact O-C 3.55Å; N1065-E1177 PolarHBondContact O-N 3.16Å; N1065-E1177 VanDerWaalsContact O-N 3.08Å; N1065-L1178 WeakPolarHBondContact CA-O 3.48Å; N1065-L1178 PolarHBondContact O-N 2.75Å |
| 1066 | N | 85.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | -146.9 | 156.8 | 173.7 | 66.1 | 23.8 | 0 | 0 | 0 | 114.7 | N1063 N1174 L1175 N1176 | N1063-N1066 WeakPolarHBondContact CB-OD1 2.98Å; N1063-N1066 PolarHBondContact N-O 2.85Å; N1063-N1066 PolarHBondContact ND2-OD1 2.91Å; N1066-N1174 PolarHBondContact ND2-ND2 3.02Å; N1066-L1175 CarbonylContact C-O 3.37Å; N1066-L1175 WeakPolarHBondContact CA-O 3.09Å; N1066-L1175 WeakPolarHBondContact CB-O 2.94Å; N1066-N1176 HydrophobicContact CB-CB 4.35Å; N1066-N1176 VanDerWaalsContact CB-OD1 3.23Å; N1066-N1176 WeakPolarHBondContact CB-OD1 3.37Å; N1066-N1176 PolarHBondContact ND2-OD1 2.89Å; N1066-N1176 VanDerWaalsContact ND2-OD1 3.09Å | ||
| 1067 | I | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.4 | 176.1 | -68 | 177.6 | 0 | 0 | 0 | 108.1 | I1059 H1061 I1062 L1069 L1175 L1178 L1184 I1186 V1205 T1207 | I1059-I1067 HydrophobicContact CD1-CG2 4.08Å; I1059-I1067 HydrophobicContact CG1-CG2 4.19Å; I1059-I1067 HydrophobicContact CG2-CG2 3.96Å; H1061-I1067 WeakPolarHBondContact O-CA 3.49Å; I1062-I1067 HydrophobicContact CG2-CG1 4.26Å; I1067-L1069 HydrophobicContact CG2-CD2 4.39Å; I1067-L1069 HydrophobicContact CG2-CG 4.31Å; I1067-L1175 PolarHBondContact N-O 2.55Å; I1067-L1175 WeakPolarHBondContact O-CB 3.2Å; I1067-L1175 PolarHBondContact O-N 2.96Å; I1067-L1178 HydrophobicContact CB-CD1 3.81Å; I1067-L1178 HydrophobicContact CD1-CD1 3.78Å; I1067-L1178 HydrophobicContact CG1-CD1 3.59Å; I1067-L1184 HydrophobicContact CD1-CD1 4.21Å; I1067-I1186 HydrophobicContact CD1-CD1 4.26Å; I1067-V1205 HydrophobicContact CD1-CB 4.4Å; I1067-V1205 HydrophobicContact CD1-CG1 3.58Å; I1067-V1205 HydrophobicContact CD1-CG2 3.89Å; I1067-T1207 HydrophobicContact CD1-CG2 3.95Å; I1067-T1207 HydrophobicContact CG1-CG2 4.41Å |
| 1068 | T | 90.6 | Very high | 84.3 | Confident | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.7 | 175.4 | -44.9 | 0 | 0 | 0 | 0 | 109.7 | I1059 L1060 H1061 I1172 V1173 N1174 | I1059-T1068 WeakPolarHBondContact CA-O 3.12Å; L1060-T1068 HydrophobicContact CB-CG2 4.28Å; L1060-T1068 HydrophobicContact CD1-CG2 4.4Å; L1060-T1068 PolarHBondContact N-O 2.96Å; H1061-T1068 PolarHBondContact O-N 2.68Å; T1068-I1172 HydrophobicContact CG2-CG2 3.9Å; T1068-V1173 CarbonylContact C-O 3.08Å; T1068-V1173 WeakPolarHBondContact CA-O 3.35Å; T1068-N1174 PolarHBondContact OG1-OD1 2.77Å |
| 1069 | L | 91.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 153.2 | -177.4 | -67.8 | 159.6 | 0 | 0 | 0 | 110.4 | K1058 I1059 I1067 W1071 I1092 I1172 V1173 L1175 I1186 | K1058-L1069 WeakPolarHBondContact O-CA 3.44Å; I1059-L1069 HydrophobicContact CD1-CD2 4.46Å; I1059-L1069 HydrophobicContact CG1-CD2 3.79Å; I1067-L1069 HydrophobicContact CG2-CD2 4.39Å; I1067-L1069 HydrophobicContact CG2-CG 4.31Å; L1069-W1071 HydrophobicContact CB-CZ3 4.31Å; L1069-I1092 HydrophobicContact CD1-CD1 3.89Å; L1069-I1092 HydrophobicContact CD1-CG2 3.91Å; L1069-I1172 WeakPolarHBondContact O-CA 3.02Å; L1069-V1173 PolarHBondContact N-O 2.7Å; L1069-V1173 PolarHBondContact O-N 2.84Å; L1069-L1175 HydrophobicContact CD1-CB 4.23Å; L1069-L1175 HydrophobicContact CD1-CD2 4.14Å; L1069-I1186 HydrophobicContact CD1-CG2 3.98Å; L1069-I1186 HydrophobicContact CD2-CG2 4.28Å |
| 1070 | S | 92.4 | Very high | 83 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 148.5 | 168 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | L1057 K1058 Y1171 | L1057-S1070 CarbonylContact C-O 3.17Å; L1057-S1070 WeakPolarHBondContact CA-O 3.29Å; K1058-S1070 PolarHBondContact N-O 2.93Å; K1058-S1070 PolarHBondContact O-N 3.24Å; S1070-Y1171 CarbonylContact C-O 3.27Å; S1070-Y1171 WeakPolarHBondContact CA-O 3.5Å; S1070-Y1171 WeakPolarHBondContact CB-O 3.44Å |
| 1071 | W | 92.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.1 | 176.7 | 60.6 | 90.7 | 0 | 0 | 0 | 110.8 | P1054 L1057 L1069 F1090 I1092 Y1170 Y1171 V1173 V1188 | P1054-W1071 HydrophobicContact CB-CB 4.45Å; P1054-W1071 HydrophobicContact CB-CG 4.16Å; L1057-W1071 HydrophobicContact CD1-CB 4Å; L1057-W1071 HydrophobicContact CD1-CD2 4.33Å; L1057-W1071 HydrophobicContact CD1-CE3 3.67Å; L1069-W1071 HydrophobicContact CB-CZ3 4.31Å; W1071-F1090 AromaticContact CE2-CD1 3.93Å; W1071-F1090 HydrophobicContact CH2-CB 4.49Å; W1071-F1090 HydrophobicContact CZ2-CB 3.8Å; W1071-F1090 AromaticContact CZ2-CD1 3.96Å; W1071-F1090 HydrophobicContact CZ2-CD1 3.96Å; W1071-F1090 AromaticContact CZ2-CD2 3.78Å; W1071-F1090 HydrophobicContact CZ2-CD2 3.78Å; W1071-F1090 HydrophobicContact CZ2-CE1 4.47Å; W1071-F1090 HydrophobicContact CZ2-CE2 4.31Å; W1071-F1090 AromaticContact CZ2-CG 3.58Å; W1071-F1090 HydrophobicContact CZ2-CG 3.58Å; W1071-F1090 AromaticContact NE1-CD1 3.48Å; W1071-F1090 AromaticContact NE1-CE1 3.19Å; W1071-F1090 AromaticContact NE1-CE2 3.77Å; W1071-F1090 AromaticContact NE1-CG 3.89Å; W1071-F1090 AromaticContact NE1-CZ 3.36Å; W1071-I1092 HydrophobicContact CH2-CD1 3.86Å; W1071-I1092 HydrophobicContact CH2-CG1 4.21Å; W1071-I1092 HydrophobicContact CZ3-CD1 3.9Å; W1071-I1092 HydrophobicContact CZ3-CG1 4.47Å; W1071-Y1170 CarbonylContact O-C 3.58Å; W1071-Y1170 VanDerWaalsContact O-CA 3.26Å; W1071-Y1170 WeakPolarHBondContact O-CA 3.49Å; W1071-Y1171 AromaticContact CD1-CD2 3.79Å; W1071-Y1171 PolarHBondContact N-O 2.82Å; W1071-Y1171 AromaticContact NE1-CD2 3.49Å; W1071-Y1171 AromaticContact NE1-CG 3.89Å; W1071-Y1171 PolarHBondContact O-N 3.38Å; W1071-V1173 HydrophobicContact CH2-CB 4.11Å; W1071-V1173 HydrophobicContact CH2-CG2 3.49Å; W1071-V1173 VanDerWaalsContact CH2-CG2 3.49Å; W1071-V1173 HydrophobicContact CZ2-CG2 4.34Å; W1071-V1173 HydrophobicContact CZ3-CB 4.17Å; W1071-V1173 HydrophobicContact CZ3-CG2 4.01Å; W1071-V1188 HydrophobicContact CD2-CG1 4.4Å; W1071-V1188 HydrophobicContact CE3-CG2 4.06Å; W1071-V1188 HydrophobicContact CH2-CG1 4.21Å; W1071-V1188 HydrophobicContact CZ2-CG1 4.05Å; W1071-V1188 HydrophobicContact CZ3-CG1 4.48Å; W1071-V1188 HydrophobicContact CZ3-CG2 4.06Å |
| 1072 | K | 88 | Confident | 82.3 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 153.6 | -168.1 | -166.2 | 172.9 | -174.4 | 176.9 | 0 | 113.1 | I1055 E1056 Y1170 | I1055-K1072 HydrophobicContact CD1-CD 4.38Å; I1055-K1072 HydrophobicContact CG1-CB 4.11Å; I1055-K1072 HydrophobicContact CG1-CD 4.46Å; I1055-K1072 WeakPolarHBondContact O-CB 3.47Å; I1055-K1072 PolarHBondContact O-N 2.69Å; E1056-K1072 HydrophobicContact CB-CB 4.25Å; E1056-K1072 HydrophobicContact CG-CD 4.31Å; E1056-K1072 WeakPolarHBondContact OE1-CD 3.15Å; E1056-K1072 WeakPolarHBondContact OE1-CE 2.86Å; E1056-K1072 IonicContact OE1-NZ 3.51Å; E1056-K1072 PolarHBondContact OE1-NZ 2.9Å; K1072-Y1170 HydrophobicContact CB-CD1 4.14Å; K1072-Y1170 HydrophobicContact CB-CE1 3.94Å; K1072-Y1170 HydrophobicContact CG-CE1 4.33Å |
| 1073 | M | 81.3 | Confident | 82.3 | Confident | 34 Ų | 34 | 38 Ų | 38 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | trans | -63.3 | 133.9 | 172.4 | -171.9 | 175 | 59.4 | 0 | 0 | 112.1 | N1075 W1121 Y1166 D1169 Y1171 | M1073-N1075 PolarHBondContact O-N 3.16Å; M1073-W1121 HydrophobicContact CG-CH2 4.4Å; M1073-W1121 HydrophobicContact CG-CZ2 3.64Å; M1073-W1121 HydrophobicContact SD-CZ2 3.59Å; M1073-W1121 VanDerWaalsContact SD-CZ2 3.59Å; M1073-W1121 PolarHBondContact SD-NE1 2.72Å; M1073-W1121 VanDerWaalsContact SD-NE1 3.38Å; M1073-Y1166 HydrophobicContact CB-CE2 4.11Å; M1073-Y1166 VanDerWaalsContact CE-OH 3.32Å; M1073-Y1166 WeakPolarHBondContact CE-OH 3.04Å; M1073-Y1166 HydrophobicContact CG-CE2 4.22Å; M1073-Y1166 HydrophobicContact SD-CE2 3.76Å; M1073-Y1166 PolarHBondContact SD-OH 3.34Å; M1073-D1169 PolarHBondContact N-O 2.82Å; M1073-Y1171 HydrophobicContact CB-CE2 4.3Å; M1073-Y1171 HydrophobicContact CG-CE2 4.3Å | ||
| 1074 | I | 78.5 | Confident | 82.5 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | trans | -78.3 | 100.2 | 175.8 | -52.3 | 102.1 | 0 | 0 | 0 | 109.8 | L1052 D1076 F1079 F1090 W1121 I1190 | L1052-I1074 HydrophobicContact CD1-CG2 4.36Å; L1052-I1074 HydrophobicContact CD2-CG2 4.2Å; I1074-D1076 HydrophobicContact CG2-CB 4.23Å; I1074-F1079 HydrophobicContact CB-CD2 4.48Å; I1074-F1079 HydrophobicContact CB-CE2 4.31Å; I1074-F1079 HydrophobicContact CG2-CD2 4.02Å; I1074-F1079 HydrophobicContact CG2-CE2 4.22Å; I1074-F1090 HydrophobicContact CD1-CE1 3.81Å; I1074-F1090 HydrophobicContact CD1-CZ 3.73Å; I1074-W1121 VanDerWaalsContact O-CH2 3.31Å; I1074-W1121 WeakPolarHBondContact O-CH2 3.04Å; I1074-W1121 WeakPolarHBondContact O-CZ3 3.33Å; I1074-I1190 HydrophobicContact CD1-CD1 3.56Å; I1074-I1190 HydrophobicContact CD1-CG1 4.17Å; I1074-I1190 HydrophobicContact CG1-CD1 3.77Å | ||
| 1075 | N | 70.5 | Confident | 82.6 | Confident | 147 Ų | 147 | 35.2 Ų | 35.2 | 79% | 0.786 | 20% | 0.197 | S | C | * | . | trans | -106.3 | 78.2 | 175.7 | -170.5 | 8 | 0 | 0 | 0 | 110.2 | M1073 | M1073-N1075 PolarHBondContact O-N 3.16Š| ||
| 1076 | D | 75.2 | Confident | 82.6 | Confident | 49 Ų | 49 | 34 Ų | 34 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | trans | -111.7 | 130.8 | -178.4 | -169.7 | -53.9 | 0 | 0 | 0 | 110.3 | L1052 I1074 D1078 F1079 K1082 | L1052-D1076 HydrophobicContact CD2-CB 4.32Å; I1074-D1076 HydrophobicContact CG2-CB 4.23Å; D1076-D1078 PolarHBondContact O-N 2.63Å; D1076-D1078 VanDerWaalsContact O-N 3.12Å; D1076-D1078 WeakPolarHBondContact OD1-CA 3.25Å; D1076-D1078 WeakPolarHBondContact OD1-CB 3.29Å; D1076-D1078 PolarHBondContact OD1-N 3.45Å; D1076-F1079 WeakPolarHBondContact O-CB 2.91Å; D1076-F1079 PolarHBondContact O-N 2.59Å; D1076-F1079 VanDerWaalsContact O-N 3.16Å; D1076-K1082 IonicContact OD1-NZ 2.79Å; D1076-K1082 PolarHBondContact OD1-NZ 3.18Å; D1076-K1082 WeakPolarHBondContact OD2-CD 3.4Å; D1076-K1082 IonicContact OD2-NZ 3.71Å; D1076-K1082 PolarHBondContact OD2-NZ 2.86Å | ||
| 1077 | S | 74.6 | Confident | 82.5 | Confident | 97 Ų | 97 | 32.8 Ų | 32.8 | 68% | 0.678 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22 | -179.9 | 57.1 | 0 | 0 | 0 | 0 | 114 | ||
| 1078 | D | 73.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 13.9 | -173.8 | -43.3 | -34.9 | 0 | 0 | 0 | 111.1 | D1076 S1080 M1081 K1082 T1882 T1883 | D1076-D1078 PolarHBondContact O-N 2.63Å; D1076-D1078 VanDerWaalsContact O-N 3.12Å; D1076-D1078 WeakPolarHBondContact OD1-CA 3.25Å; D1076-D1078 WeakPolarHBondContact OD1-CB 3.29Å; D1076-D1078 PolarHBondContact OD1-N 3.45Å; D1078-S1080 PolarHBondContact O-N 3.37Å; D1078-S1080 VanDerWaalsContact O-N 3.11Å; D1078-M1081 WeakPolarHBondContact O-CA 3.31Å; D1078-M1081 PolarHBondContact O-N 3.23Å; D1078-K1082 HydrophobicContact CB-CD 3.86Å; D1078-K1082 HydrophobicContact CB-CG 3.96Å; D1078-K1082 PolarHBondContact O-N 2.85Å; D1078-K1082 VanDerWaalsContact OD2-CE 3.22Å; D1078-K1082 WeakPolarHBondContact OD2-CE 3.44Å; D1078-K1082 IonicContact OD2-NZ 3.33Å; D1078-K1082 PolarHBondContact OD2-NZ 3.29Å; D1078-T1882 VanDerWaalsContact CG-CA 3.41Å; D1078-T1882 WeakPolarHBondContact OD1-CA 3.46Å; D1078-T1882 WeakPolarHBondContact OD1-CG2 3.22Å; D1078-T1882 VanDerWaalsContact OD2-CG2 3.3Å; D1078-T1882 WeakPolarHBondContact OD2-CG2 3.4Å; D1078-T1883 PolarHBondContact OD1-N 3.48Å |
| 1079 | F | 78.5 | Confident | 82.1 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -45.6 | -48.3 | -175.1 | -175 | -87.3 | 0 | 0 | 0 | 112 | L1052 I1074 D1076 M1081 K1082 M1083 F1087 W1121 | L1052-F1079 HydrophobicContact CD1-CD2 3.45Å; L1052-F1079 VanDerWaalsContact CD1-CD2 3.45Å; L1052-F1079 HydrophobicContact CD1-CE2 3.55Å; L1052-F1079 HydrophobicContact CD1-CG 4.2Å; L1052-F1079 HydrophobicContact CD1-CZ 4.37Å; I1074-F1079 HydrophobicContact CB-CD2 4.48Å; I1074-F1079 HydrophobicContact CB-CE2 4.31Å; I1074-F1079 HydrophobicContact CG2-CD2 4.02Å; I1074-F1079 HydrophobicContact CG2-CE2 4.22Å; D1076-F1079 WeakPolarHBondContact O-CB 2.91Å; D1076-F1079 PolarHBondContact O-N 2.59Å; D1076-F1079 VanDerWaalsContact O-N 3.16Å; F1079-M1081 VanDerWaalsContact C-N 3.25Å; F1079-M1081 PolarHBondContact O-N 2.76Å; F1079-K1082 PolarHBondContact O-N 3.14Å; F1079-M1083 HydrophobicContact CD1-CB 4.43Å; F1079-M1083 HydrophobicContact CE1-CB 4.22Å; F1079-M1083 HydrophobicContact CE1-CG 4.11Å; F1079-M1083 HydrophobicContact CE1-SD 4.12Å; F1079-M1083 HydrophobicContact CE2-SD 4.25Å; F1079-M1083 HydrophobicContact CZ-CG 4.29Å; F1079-M1083 HydrophobicContact CZ-SD 3.68Å; F1079-M1083 WeakPolarHBondContact O-CB 3.45Å; F1079-M1083 PolarHBondContact O-N 3.27Å; F1079-F1087 HydrophobicContact CE1-CB 3.9Å; F1079-F1087 HydrophobicContact CE1-CG 4.31Å; F1079-F1087 HydrophobicContact CZ-CB 3.81Å; F1079-F1087 HydrophobicContact CZ-CD1 4.43Å; F1079-F1087 AromaticContact CZ-CD2 3.85Å; F1079-F1087 HydrophobicContact CZ-CD2 3.85Å; F1079-F1087 AromaticContact CZ-CG 3.77Å; F1079-F1087 HydrophobicContact CZ-CG 3.77Å; F1079-W1121 HydrophobicContact CD1-CZ3 4.06Å; F1079-W1121 HydrophobicContact CD2-CH2 4.45Å; F1079-W1121 AromaticContact CD2-CZ3 3.71Å; F1079-W1121 HydrophobicContact CD2-CZ3 3.71Å; F1079-W1121 HydrophobicContact CE1-CZ3 4.02Å; F1079-W1121 HydrophobicContact CE2-CH2 4.07Å; F1079-W1121 AromaticContact CE2-CZ3 3.64Å; F1079-W1121 HydrophobicContact CE2-CZ3 3.64Å; F1079-W1121 HydrophobicContact CG-CE3 4.49Å; F1079-W1121 AromaticContact CG-CZ3 3.92Å; F1079-W1121 HydrophobicContact CG-CZ3 3.92Å; F1079-W1121 HydrophobicContact CZ-CH2 4.31Å; F1079-W1121 AromaticContact CZ-CZ3 3.8Å; F1079-W1121 HydrophobicContact CZ-CZ3 3.8Å |
| 1080 | S | 71.6 | Confident | 82.1 | Confident | 73 Ų | 73 | 34.6 Ų | 34.6 | 51% | 0.51 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.9 | -19.8 | 179.6 | -172.2 | 0 | 0 | 0 | 0 | 115.3 | D1078 | D1078-S1080 PolarHBondContact O-N 3.37Å; D1078-S1080 VanDerWaalsContact O-N 3.11Å |
| 1081 | M | 76.8 | Confident | 82 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 23% | 0.232 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -93.2 | -42.3 | 172.4 | -74 | -163.4 | 178.1 | 0 | 0 | 111.5 | I969 D1078 F1079 M1083 N1084 T1882 T1883 | I969-M1081 HydrophobicContact CD1-CE 3.5Å; I969-M1081 HydrophobicContact CD1-SD 3.76Å; I969-M1081 HydrophobicContact CG1-CE 3.94Å; D1078-M1081 WeakPolarHBondContact O-CA 3.31Å; D1078-M1081 PolarHBondContact O-N 3.23Å; F1079-M1081 VanDerWaalsContact C-N 3.25Å; F1079-M1081 PolarHBondContact O-N 2.76Å; M1081-M1083 VanDerWaalsContact C-N 3.35Å; M1081-M1083 PolarHBondContact O-N 2.89Å; M1081-N1084 PolarHBondContact O-OD1 3.32Å; M1081-T1882 VanDerWaalsContact CE-O 3.24Å; M1081-T1882 WeakPolarHBondContact CE-O 3.1Å; M1081-T1882 PolarHBondContact SD-N 3.35Å; M1081-T1883 WeakPolarHBondContact CE-O 3.26Å |
| 1082 | K | 84.8 | Confident | 82 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.4 | -27.4 | -179.2 | -65.1 | 177.6 | 178.3 | 148.4 | 0 | 113 | Q1051 L1052 D1076 D1078 F1079 N1084 I1880 | Q1051-K1082 HydrophobicContact CB-CB 4.34Å; Q1051-K1082 WeakPolarHBondContact CB-O 3.29Å; Q1051-K1082 PolarHBondContact N-O 3.1Å; L1052-K1082 HydrophobicContact CD1-CB 4.17Å; L1052-K1082 HydrophobicContact CD2-CB 3.67Å; L1052-K1082 HydrophobicContact CD2-CD 3.76Å; L1052-K1082 HydrophobicContact CD2-CG 4.36Å; L1052-K1082 HydrophobicContact CG-CB 3.73Å; D1076-K1082 IonicContact OD1-NZ 2.79Å; D1076-K1082 PolarHBondContact OD1-NZ 3.18Å; D1076-K1082 WeakPolarHBondContact OD2-CD 3.4Å; D1076-K1082 IonicContact OD2-NZ 3.71Å; D1076-K1082 PolarHBondContact OD2-NZ 2.86Å; D1078-K1082 HydrophobicContact CB-CD 3.86Å; D1078-K1082 HydrophobicContact CB-CG 3.96Å; D1078-K1082 PolarHBondContact O-N 2.85Å; D1078-K1082 VanDerWaalsContact OD2-CE 3.22Å; D1078-K1082 WeakPolarHBondContact OD2-CE 3.44Å; D1078-K1082 IonicContact OD2-NZ 3.33Å; D1078-K1082 PolarHBondContact OD2-NZ 3.29Å; F1079-K1082 PolarHBondContact O-N 3.14Å; K1082-N1084 PolarHBondContact O-N 2.66Å; K1082-I1880 HydrophobicContact CD-CD1 3.71Å; K1082-I1880 HydrophobicContact CD-CG1 3.91Å; K1082-I1880 HydrophobicContact CG-CD1 3.9Å; K1082-I1880 HydrophobicContact CG-CG1 3.65Å |
| 1083 | M | 86.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.1 | -179.9 | -168 | 67.8 | -143 | 0 | 0 | 113.2 | P1050 L1052 F1079 M1081 G1085 F1087 I1190 L1191 N1192 | P1050-M1083 HydrophobicContact CB-CE 4.04Å; P1050-M1083 HydrophobicContact CB-SD 4.44Å; P1050-M1083 HydrophobicContact CG-CE 3.79Å; L1052-M1083 HydrophobicContact CD1-CB 4.41Å; L1052-M1083 HydrophobicContact CD1-SD 4.13Å; F1079-M1083 HydrophobicContact CD1-CB 4.43Å; F1079-M1083 HydrophobicContact CE1-CB 4.22Å; F1079-M1083 HydrophobicContact CE1-CG 4.11Å; F1079-M1083 HydrophobicContact CE1-SD 4.12Å; F1079-M1083 HydrophobicContact CE2-SD 4.25Å; F1079-M1083 HydrophobicContact CZ-CG 4.29Å; F1079-M1083 HydrophobicContact CZ-SD 3.68Å; F1079-M1083 WeakPolarHBondContact O-CB 3.45Å; F1079-M1083 PolarHBondContact O-N 3.27Å; M1081-M1083 VanDerWaalsContact C-N 3.35Å; M1081-M1083 PolarHBondContact O-N 2.89Å; M1083-G1085 VanDerWaalsContact CG-O 3.24Å; M1083-G1085 WeakPolarHBondContact CG-O 3.23Å; M1083-G1085 PolarHBondContact O-N 2.85Å; M1083-F1087 HydrophobicContact CE-CB 4.01Å; M1083-F1087 HydrophobicContact CE-CD2 3.83Å; M1083-F1087 HydrophobicContact CE-CG 4.42Å; M1083-F1087 HydrophobicContact CG-CB 4.08Å; M1083-F1087 HydrophobicContact SD-CB 3.87Å; M1083-F1087 HydrophobicContact SD-CD2 3.82Å; M1083-F1087 HydrophobicContact SD-CG 4.31Å; M1083-I1190 HydrophobicContact CE-CG2 3.38Å; M1083-I1190 HydrophobicContact SD-CG2 3.71Å; M1083-L1191 VanDerWaalsContact CE-C 3.47Å; M1083-L1191 WeakPolarHBondContact CE-O 2.78Å; M1083-N1192 HydrophobicContact CE-CB 3.6Å; M1083-N1192 PolarHBondContact O-ND2 2.96Å |
| 1084 | N | 86.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | trans | 52.7 | 15.9 | -179.7 | -86.9 | -16.4 | 0 | 0 | 0 | 115.3 | F1018 E1047 D1048 I1049 M1081 K1082 | F1018-N1084 WeakPolarHBondContact CB-O 3.4Å; E1047-N1084 CarbonylContact C-O 3.54Å; E1047-N1084 VanDerWaalsContact CA-O 3.24Å; E1047-N1084 WeakPolarHBondContact CA-O 3.2Å; E1047-N1084 WeakPolarHBondContact CB-O 3.48Å; D1048-N1084 HydrophobicContact CB-CB 3.96Å; D1048-N1084 PolarHBondContact N-O 2.85Å; D1048-N1084 VanDerWaalsContact O-CB 3.27Å; D1048-N1084 WeakPolarHBondContact O-CB 3.46Å; D1048-N1084 PolarHBondContact OD2-ND2 2.79Å; I1049-N1084 PolarHBondContact O-ND2 2.65Å; M1081-N1084 PolarHBondContact O-OD1 3.32Å; K1082-N1084 PolarHBondContact O-N 2.66Å | ||
| 1085 | G | 84.3 | Confident | 83.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 176 | -176.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1047 M1083 F1087 | E1047-G1085 WeakPolarHBondContact OE1-CA 3.23Å; E1047-G1085 WeakPolarHBondContact OE2-CA 3.43Å; M1083-G1085 VanDerWaalsContact CG-O 3.24Å; M1083-G1085 WeakPolarHBondContact CG-O 3.23Å; M1083-G1085 PolarHBondContact O-N 2.85Å; G1085-F1087 PolarHBondContact O-N 3.09Å |
| 1086 | I | 80.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 29.2 Ų | 29.2 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | trans | -77.3 | 112.6 | 173.7 | -67.8 | -177.3 | 0 | 0 | 0 | 109.1 | F1018 E1047 Q1088 F1123 N1192 I1193 | F1018-I1086 HydrophobicContact CE2-CG1 3.83Å; F1018-I1086 HydrophobicContact CZ-CB 4.48Å; F1018-I1086 HydrophobicContact CZ-CG1 3.57Å; E1047-I1086 PolarHBondContact OE1-N 2.94Å; E1047-I1086 PolarHBondContact OE2-N 2.82Å; I1086-Q1088 PolarHBondContact O-N 3.45Å; I1086-F1123 HydrophobicContact CB-CE1 4.43Å; I1086-F1123 HydrophobicContact CB-CZ 3.98Å; I1086-F1123 HydrophobicContact CG1-CE1 4.2Å; I1086-F1123 HydrophobicContact CG1-CZ 4.24Å; I1086-F1123 HydrophobicContact CG2-CE1 4.28Å; I1086-F1123 HydrophobicContact CG2-CE2 4.19Å; I1086-F1123 HydrophobicContact CG2-CZ 3.52Å; I1086-N1192 WeakPolarHBondContact O-CA 2.93Å; I1086-N1192 WeakPolarHBondContact O-CB 3.27Å; I1086-I1193 HydrophobicContact CB-CD1 3.67Å; I1086-I1193 HydrophobicContact CB-CG1 3.97Å; I1086-I1193 HydrophobicContact CD1-CD1 3.81Å; I1086-I1193 HydrophobicContact CG1-CD1 4.16Å; I1086-I1193 HydrophobicContact CG2-CD1 3.9Å; I1086-I1193 HydrophobicContact CG2-CG1 4.19Å; I1086-I1193 PolarHBondContact O-N 2.88Å | ||
| 1087 | F | 84 | Confident | 84.6 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | trans | -54.8 | 121.2 | 170.8 | 176.5 | -106.6 | 0 | 0 | 0 | 111.9 | F1079 M1083 G1085 F1090 L1115 P1118 P1119 I1190 | F1079-F1087 HydrophobicContact CE1-CB 3.9Å; F1079-F1087 HydrophobicContact CE1-CG 4.31Å; F1079-F1087 HydrophobicContact CZ-CB 3.81Å; F1079-F1087 HydrophobicContact CZ-CD1 4.43Å; F1079-F1087 AromaticContact CZ-CD2 3.85Å; F1079-F1087 HydrophobicContact CZ-CD2 3.85Å; F1079-F1087 AromaticContact CZ-CG 3.77Å; F1079-F1087 HydrophobicContact CZ-CG 3.77Å; M1083-F1087 HydrophobicContact CE-CB 4.01Å; M1083-F1087 HydrophobicContact CE-CD2 3.83Å; M1083-F1087 HydrophobicContact CE-CG 4.42Å; M1083-F1087 HydrophobicContact CG-CB 4.08Å; M1083-F1087 HydrophobicContact SD-CB 3.87Å; M1083-F1087 HydrophobicContact SD-CD2 3.82Å; M1083-F1087 HydrophobicContact SD-CG 4.31Å; G1085-F1087 PolarHBondContact O-N 3.09Å; F1087-F1090 HydrophobicContact CE2-CE2 4.33Å; F1087-F1090 HydrophobicContact CE2-CZ 4.21Å; F1087-F1090 AromaticContact CZ-CE2 3.83Å; F1087-F1090 HydrophobicContact CZ-CE2 3.83Å; F1087-F1090 HydrophobicContact CZ-CZ 4.02Å; F1087-L1115 HydrophobicContact CE1-CD1 3.55Å; F1087-L1115 HydrophobicContact CZ-CD1 3.73Å; F1087-P1118 HydrophobicContact CD1-CB 4.18Å; F1087-P1119 HydrophobicContact CE1-CG 4.2Å; F1087-I1190 HydrophobicContact CD2-CG2 4.07Å; F1087-I1190 HydrophobicContact CE2-CG2 4.16Å | ||
| 1088 | Q | 83.4 | Confident | 85.1 | Confident | 65 Ų | 65 | 28.8 Ų | 28.8 | 30% | 0.304 | 15% | 0.152 | S | C | . | . | trans | -115.9 | -31.6 | -172.6 | -160.5 | -167.3 | -5.8 | 0 | 0 | 112.7 | I1086 I1114 L1115 L1191 N1192 | I1086-Q1088 PolarHBondContact O-N 3.45Å; Q1088-I1114 HydrophobicContact CG-CD1 4.06Å; Q1088-I1114 HydrophobicContact CG-CG2 4.08Å; Q1088-L1115 PolarHBondContact O-N 2.94Å; Q1088-L1191 HydrophobicContact CB-CB 4.47Å; Q1088-L1191 PolarHBondContact N-O 3.02Å; Q1088-N1192 PolarHBondContact OE1-O 2.74Å | ||
| 1089 | G | 88.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.7 | -144 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1113 L1191 | G1089-Y1113 WeakPolarHBondContact CA-O 3.25Å; G1089-L1191 PolarHBondContact O-N 2.78Å |
| 1090 | F | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.1 | -177.1 | -62.2 | -89.1 | 0 | 0 | 0 | 111.8 | P1054 W1071 I1074 F1087 Y1113 L1115 I1164 Y1171 V1188 R1189 I1190 | P1054-F1090 HydrophobicContact CG-CD1 4.22Å; P1054-F1090 HydrophobicContact CG-CE1 4.3Å; W1071-F1090 AromaticContact CE2-CD1 3.93Å; W1071-F1090 HydrophobicContact CH2-CB 4.49Å; W1071-F1090 HydrophobicContact CZ2-CB 3.8Å; W1071-F1090 AromaticContact CZ2-CD1 3.96Å; W1071-F1090 HydrophobicContact CZ2-CD1 3.96Å; W1071-F1090 AromaticContact CZ2-CD2 3.78Å; W1071-F1090 HydrophobicContact CZ2-CD2 3.78Å; W1071-F1090 HydrophobicContact CZ2-CE1 4.47Å; W1071-F1090 HydrophobicContact CZ2-CE2 4.31Å; W1071-F1090 AromaticContact CZ2-CG 3.58Å; W1071-F1090 HydrophobicContact CZ2-CG 3.58Å; W1071-F1090 AromaticContact NE1-CD1 3.48Å; W1071-F1090 AromaticContact NE1-CE1 3.19Å; W1071-F1090 AromaticContact NE1-CE2 3.77Å; W1071-F1090 AromaticContact NE1-CG 3.89Å; W1071-F1090 AromaticContact NE1-CZ 3.36Å; I1074-F1090 HydrophobicContact CD1-CE1 3.81Å; I1074-F1090 HydrophobicContact CD1-CZ 3.73Å; F1087-F1090 HydrophobicContact CE2-CE2 4.33Å; F1087-F1090 HydrophobicContact CE2-CZ 4.21Å; F1087-F1090 AromaticContact CZ-CE2 3.83Å; F1087-F1090 HydrophobicContact CZ-CE2 3.83Å; F1087-F1090 HydrophobicContact CZ-CZ 4.02Å; F1090-Y1113 PolarHBondContact N-O 2.81Å; F1090-Y1113 PolarHBondContact O-N 2.92Å; F1090-L1115 HydrophobicContact CE2-CD1 4.33Å; F1090-I1164 HydrophobicContact CD2-CD1 3.68Å; F1090-I1164 HydrophobicContact CE2-CD1 4.45Å; F1090-Y1171 HydrophobicContact CE2-CD1 4.21Å; F1090-Y1171 AromaticContact CE2-CD2 3.79Å; F1090-Y1171 HydrophobicContact CE2-CD2 3.79Å; F1090-Y1171 HydrophobicContact CE2-CE1 4.18Å; F1090-Y1171 AromaticContact CE2-CE2 3.74Å; F1090-Y1171 HydrophobicContact CE2-CE2 3.74Å; F1090-Y1171 HydrophobicContact CE2-CG 4.02Å; F1090-Y1171 AromaticContact CE2-CZ 3.95Å; F1090-Y1171 AromaticContact CZ-CD2 3.64Å; F1090-Y1171 HydrophobicContact CZ-CD2 3.64Å; F1090-Y1171 AromaticContact CZ-CE2 3.49Å; F1090-Y1171 HydrophobicContact CZ-CE2 3.49Å; F1090-Y1171 VanDerWaalsContact CZ-CE2 3.49Å; F1090-Y1171 HydrophobicContact CZ-CG 4.33Å; F1090-V1188 HydrophobicContact CB-CG1 4.01Å; F1090-V1188 HydrophobicContact CD1-CG1 4.02Å; F1090-V1188 HydrophobicContact CG-CG1 4.41Å; F1090-R1189 CarbonylContact C-O 3.5Å; F1090-R1189 WeakPolarHBondContact CA-O 2.86Å; F1090-I1190 HydrophobicContact CD1-CG1 3.93Å; F1090-I1190 HydrophobicContact CE1-CD1 4.44Å; F1090-I1190 HydrophobicContact CE1-CG1 3.62Å |
| 1091 | R | 92.2 | Very high | 86 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.9 | 168.2 | 175.4 | 170.4 | -68.2 | 171.7 | 3.8 | 109 | E1093 D1112 V1188 R1189 L1191 | R1091-E1093 HydrophobicContact CG-CG 3.72Å; R1091-D1112 WeakPolarHBondContact CB-OD1 3.43Å; R1091-D1112 WeakPolarHBondContact CG-OD1 2.88Å; R1091-D1112 IonicContact CZ-OD1 2.76Å; R1091-D1112 IonicContact CZ-OD2 3.93Å; R1091-D1112 IonicContact NE-OD1 3.64Å; R1091-D1112 PolarHBondContact NE-OD1 3.28Å; R1091-D1112 IonicContact NE-OD2 2.68Å; R1091-D1112 IonicContact NH2-OD1 3.83Å; R1091-D1112 PolarHBondContact NH2-OD1 3.09Å; R1091-D1112 IonicContact NH2-OD2 3.67Å; R1091-D1112 PolarHBondContact NH2-OD2 3.33Å; R1091-V1188 CarbonylContact O-C 3.18Å; R1091-V1188 VanDerWaalsContact O-CA 3.31Å; R1091-V1188 WeakPolarHBondContact O-CA 3.49Å; R1091-R1189 HydrophobicContact CB-CB 4.41Å; R1091-R1189 PolarHBondContact N-O 3.07Å; R1091-R1189 PolarHBondContact O-N 3.13Å; R1091-L1191 HydrophobicContact CB-CD1 4.2Å; R1091-L1191 HydrophobicContact CB-CD2 4Å; R1091-L1191 HydrophobicContact CB-CG 4.13Å |
| 1092 | I | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.9 | 167.2 | -51.2 | -172.5 | 0 | 0 | 0 | 107.3 | L1069 W1071 W1094 S1110 Q1111 Y1113 V1173 L1175 I1186 V1188 | L1069-I1092 HydrophobicContact CD1-CD1 3.89Å; L1069-I1092 HydrophobicContact CD1-CG2 3.91Å; W1071-I1092 HydrophobicContact CH2-CD1 3.86Å; W1071-I1092 HydrophobicContact CH2-CG1 4.21Å; W1071-I1092 HydrophobicContact CZ3-CD1 3.9Å; W1071-I1092 HydrophobicContact CZ3-CG1 4.47Å; I1092-W1094 HydrophobicContact CG2-CE3 4.36Å; I1092-S1110 CarbonylContact O-C 3.53Å; I1092-S1110 VanDerWaalsContact O-CA 3.3Å; I1092-S1110 WeakPolarHBondContact O-CA 3.43Å; I1092-Q1111 PolarHBondContact N-O 2.82Å; I1092-Q1111 PolarHBondContact O-N 2.88Å; I1092-Y1113 HydrophobicContact CB-CE2 4.41Å; I1092-Y1113 HydrophobicContact CD1-CD2 3.96Å; I1092-Y1113 HydrophobicContact CD1-CE2 3.63Å; I1092-Y1113 HydrophobicContact CG1-CD2 3.94Å; I1092-Y1113 HydrophobicContact CG1-CE2 3.93Å; I1092-V1173 HydrophobicContact CD1-CB 4.05Å; I1092-V1173 HydrophobicContact CD1-CG1 3.66Å; I1092-V1173 HydrophobicContact CD1-CG2 4.48Å; I1092-L1175 HydrophobicContact CG2-CD2 4.36Å; I1092-I1186 HydrophobicContact CG2-CG2 3.86Å; I1092-V1188 HydrophobicContact CG1-CG1 4.45Å; I1092-V1188 HydrophobicContact CG1-CG2 4.15Å; I1092-V1188 HydrophobicContact CG2-CG2 4.44Å |
| 1093 | E | 92.2 | Very high | 85.6 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.4 | 175.2 | -56.7 | -168.6 | 119.5 | 0 | 0 | 109.7 | R1091 K1108 K1109 I1186 W1187 R1189 | R1091-E1093 HydrophobicContact CG-CG 3.72Å; E1093-K1108 HydrophobicContact CB-CD 4.41Å; E1093-K1108 VanDerWaalsContact CD-NZ 3.34Å; E1093-K1108 VanDerWaalsContact OE1-CE 3.27Å; E1093-K1108 WeakPolarHBondContact OE1-CE 3.49Å; E1093-K1108 IonicContact OE1-NZ 2.75Å; E1093-K1108 PolarHBondContact OE1-NZ 2.6Å; E1093-K1108 IonicContact OE2-NZ 3.79Å; E1093-K1108 PolarHBondContact OE2-NZ 2.93Å; E1093-K1109 WeakPolarHBondContact CA-O 3.47Å; E1093-I1186 WeakPolarHBondContact O-CA 3.09Å; E1093-W1187 HydrophobicContact CB-CD2 4.18Å; E1093-W1187 HydrophobicContact CB-CH2 4.41Å; E1093-W1187 HydrophobicContact CB-CZ2 3.67Å; E1093-W1187 PolarHBondContact N-O 2.8Å; E1093-W1187 PolarHBondContact O-N 2.9Å; E1093-W1187 PolarHBondContact OE2-NE1 2.82Å; E1093-R1189 IonicContact OE2-CZ 3.31Å; E1093-R1189 IonicContact OE2-NE 2.7Å; E1093-R1189 PolarHBondContact OE2-NE 2.81Å; E1093-R1189 IonicContact OE2-NH2 2.6Å; E1093-R1189 PolarHBondContact OE2-NH2 2.57Å |
| 1094 | W | 92 | Very high | 85.1 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 8% | 0.076 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 144.3 | 175.3 | 68.5 | 106.5 | 0 | 0 | 0 | 113.7 | I1092 K1108 K1109 Q1111 L1175 L1178 K1185 I1186 | I1092-W1094 HydrophobicContact CG2-CE3 4.36Å; W1094-K1108 CarbonylContact O-C 3.46Å; W1094-K1108 VanDerWaalsContact O-CA 3.28Å; W1094-K1108 WeakPolarHBondContact O-CA 3.26Å; W1094-K1109 HydrophobicContact CD2-CB 3.93Å; W1094-K1109 HydrophobicContact CE3-CB 4.28Å; W1094-K1109 HydrophobicContact CH2-CB 3.87Å; W1094-K1109 HydrophobicContact CZ2-CB 3.51Å; W1094-K1109 HydrophobicContact CZ2-CD 3.88Å; W1094-K1109 HydrophobicContact CZ2-CG 4.35Å; W1094-K1109 HydrophobicContact CZ3-CB 4.24Å; W1094-K1109 PolarHBondContact N-O 2.93Å; W1094-K1109 PolarHBondContact O-N 2.88Å; W1094-Q1111 HydrophobicContact CH2-CB 3.93Å; W1094-Q1111 HydrophobicContact CZ3-CB 3.77Å; W1094-L1175 HydrophobicContact CD2-CD2 3.99Å; W1094-L1175 HydrophobicContact CE3-CD1 4.13Å; W1094-L1175 HydrophobicContact CE3-CD2 4.08Å; W1094-L1175 HydrophobicContact CG-CD2 4.4Å; W1094-L1175 HydrophobicContact CH2-CD1 3.72Å; W1094-L1175 HydrophobicContact CZ2-CD1 4.17Å; W1094-L1175 HydrophobicContact CZ3-CD1 3.68Å; W1094-L1175 HydrophobicContact CZ3-CD2 4.45Å; W1094-L1178 HydrophobicContact CZ2-CD2 4.17Å; W1094-L1178 VanDerWaalsContact NE1-CD2 3.29Å; W1094-K1185 CarbonylContact C-O 3.3Å; W1094-K1185 WeakPolarHBondContact CA-O 3.24Å; W1094-K1185 WeakPolarHBondContact CB-O 3.46Å; W1094-I1186 HydrophobicContact CB-CB 4.31Å; W1094-I1186 HydrophobicContact CB-CG1 3.87Å; W1094-I1186 HydrophobicContact CB-CG2 4.34Å |
| 1095 | C | 90 | Very high | 84.8 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 169.4 | 174.8 | 74.8 | 0 | 0 | 0 | 0 | 110 | A1097 L1099 C1104 K1108 L1184 K1185 | C1095-A1097 PolarHBondContact O-N 2.65Å; C1095-L1099 HydrophobicContact CB-CD1 4.47Å; C1095-C1104 HydrophobicContact CB-CB 3.85Å; C1095-C1104 WeakPolarHBondContact CB-O 3.21Å; C1095-C1104 WeakPolarHBondContact CB-SG 3.49Å; C1095-C1104 WeakPolarHBondContact SG-CB 3.3Å; C1095-C1104 CovalentContact SG-SG 2.03Å; C1095-C1104 PolarHBondContact SG-SG 3.41Å; C1095-K1108 HydrophobicContact CB-CB 4.14Å; C1095-L1184 CarbonylContact O-C 3.35Å; C1095-L1184 WeakPolarHBondContact O-CA 3.03Å; C1095-K1185 PolarHBondContact N-O 2.9Å; C1095-K1185 PolarHBondContact O-N 3.47Å |
| 1096 | N | 86.6 | Confident | 84.3 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 126.3 | 166.1 | 177.8 | -12.7 | 0 | 0 | 0 | 109 | D1098 L1099 K1183 | N1096-D1098 PolarHBondContact O-N 3.25Å; N1096-D1098 PolarHBondContact OD1-N 2.82Å; N1096-L1099 HydrophobicContact CB-CD1 3.95Å; N1096-L1099 HydrophobicContact CB-CG 4.02Å; N1096-L1099 VanDerWaalsContact O-CB 3.29Å; N1096-L1099 WeakPolarHBondContact O-CB 3.34Å; N1096-L1099 WeakPolarHBondContact O-CG 3.49Å; N1096-L1099 PolarHBondContact O-N 3.16Å; N1096-K1183 CarbonylContact C-O 3.43Å; N1096-K1183 VanDerWaalsContact CA-O 3.27Å; N1096-K1183 WeakPolarHBondContact CA-O 3.24Å; N1096-K1183 PolarHBondContact OD1-O 3.09Å; N1096-K1183 VanDerWaalsContact OD1-O 3.13Å |
| 1097 | A | 87.4 | Confident | 84.1 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1095 L1099 K1183 K1185 I1204 | C1095-A1097 PolarHBondContact O-N 2.65Å; A1097-L1099 PolarHBondContact O-N 2.85Å; A1097-K1183 HydrophobicContact CB-CB 3.95Å; A1097-K1183 PolarHBondContact N-O 2.76Å; A1097-K1185 HydrophobicContact CB-CB 3.92Å; A1097-I1204 HydrophobicContact CB-CG1 4.41Å; A1097-I1204 HydrophobicContact CB-CG2 3.77Å |
| 1098 | D | 84.2 | Confident | 84.3 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1 | 176.4 | -59.4 | -48.8 | 0 | 0 | 0 | 112.2 | N1096 K1183 | N1096-D1098 PolarHBondContact O-N 3.25Å; N1096-D1098 PolarHBondContact OD1-N 2.82Å; D1098-K1183 IonicContact OD1-NZ 2.75Å; D1098-K1183 PolarHBondContact OD1-NZ 3.37Å; D1098-K1183 IonicContact OD2-NZ 3.83Å |
| 1099 | L | 82.2 | Confident | 84.4 | Confident | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -79.2 | 149.5 | 173.1 | -66 | 172.2 | 0 | 0 | 0 | 112.3 | C1095 N1096 A1097 C1104 Y1107 | C1095-L1099 HydrophobicContact CB-CD1 4.47Å; N1096-L1099 HydrophobicContact CB-CD1 3.95Å; N1096-L1099 HydrophobicContact CB-CG 4.02Å; N1096-L1099 VanDerWaalsContact O-CB 3.29Å; N1096-L1099 WeakPolarHBondContact O-CB 3.34Å; N1096-L1099 WeakPolarHBondContact O-CG 3.49Å; N1096-L1099 PolarHBondContact O-N 3.16Å; A1097-L1099 PolarHBondContact O-N 2.85Å; L1099-C1104 HydrophobicContact CB-CB 4.18Å; L1099-Y1107 HydrophobicContact CD1-CD2 4.29Å; L1099-Y1107 HydrophobicContact CD2-CD2 4.47Å |
| 1100 | S | 81.5 | Confident | 84.4 | Confident | 64 Ų | 64 | 63 Ų | 63 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | trans | -58.9 | 158.4 | 166.3 | 84.1 | 0 | 0 | 0 | 0 | 111 | D1102 S1103 C1104 | S1100-D1102 VanDerWaalsContact C-N 3.29Å; S1100-D1102 PolarHBondContact O-N 1.79Å; S1100-S1103 CarbonylContact O-C 3.59Å; S1100-S1103 PolarHBondContact O-N 2.85Å; S1100-S1103 WeakPolarHBondContact OG-CB 3.44Å; S1100-S1103 PolarHBondContact OG-N 2.88Å; S1100-S1103 VanDerWaalsContact OG-N 3.1Å; S1100-S1103 PolarHBondContact OG-OG 2.69Å; S1100-C1104 WeakPolarHBondContact O-CB 3.33Å; S1100-C1104 PolarHBondContact O-N 2.87Å | ||
| 1101 | N | 78.1 | Confident | 84.2 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 61% | 0.61 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.2 | -40.4 | 179.1 | -87.2 | -23.8 | 0 | 0 | 0 | 112.6 | C1104 E1105 K1185 | N1101-C1104 WeakPolarHBondContact O-CB 3.32Å; N1101-C1104 PolarHBondContact O-N 2.98Å; N1101-E1105 WeakPolarHBondContact O-CB 3.44Å; N1101-E1105 PolarHBondContact O-N 3.08Å; N1101-K1185 PolarHBondContact OD1-NZ 3.49Å |
| 1102 | D | 77.1 | Confident | 84 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 177.7 | -57.2 | -21.2 | 0 | 0 | 0 | 111.3 | S1100 E1105 F1106 | S1100-D1102 VanDerWaalsContact C-N 3.29Å; S1100-D1102 PolarHBondContact O-N 1.79Å; D1102-E1105 PolarHBondContact O-N 3.26Å; D1102-F1106 WeakPolarHBondContact O-CB 3.25Å; D1102-F1106 PolarHBondContact O-N 3.4Å |
| 1103 | S | 76.6 | Confident | 83.7 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | S1100 F1106 Y1107 | S1100-S1103 CarbonylContact O-C 3.59Å; S1100-S1103 PolarHBondContact O-N 2.85Å; S1100-S1103 WeakPolarHBondContact OG-CB 3.44Å; S1100-S1103 PolarHBondContact OG-N 2.88Å; S1100-S1103 VanDerWaalsContact OG-N 3.1Å; S1100-S1103 PolarHBondContact OG-OG 2.69Å; S1103-F1106 PolarHBondContact O-N 3.48Å; S1103-Y1107 WeakPolarHBondContact O-CB 3.33Å; S1103-Y1107 WeakPolarHBondContact O-CD2 3.3Å; S1103-Y1107 PolarHBondContact O-N 2.82Å |
| 1104 | C | 77.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.9 | C1095 L1099 S1100 N1101 F1106 Y1107 K1108 | C1095-C1104 HydrophobicContact CB-CB 3.85Å; C1095-C1104 WeakPolarHBondContact CB-O 3.21Å; C1095-C1104 WeakPolarHBondContact CB-SG 3.49Å; C1095-C1104 WeakPolarHBondContact SG-CB 3.3Å; C1095-C1104 CovalentContact SG-SG 2.03Å; C1095-C1104 PolarHBondContact SG-SG 3.41Å; L1099-C1104 HydrophobicContact CB-CB 4.18Å; S1100-C1104 WeakPolarHBondContact O-CB 3.33Å; S1100-C1104 PolarHBondContact O-N 2.87Å; N1101-C1104 WeakPolarHBondContact O-CB 3.32Å; N1101-C1104 PolarHBondContact O-N 2.98Å; C1104-F1106 VanDerWaalsContact C-N 3.3Å; C1104-F1106 PolarHBondContact O-N 3.33Å; C1104-Y1107 PolarHBondContact O-N 2.79Å; C1104-K1108 WeakPolarHBondContact O-CA 3.29Å; C1104-K1108 VanDerWaalsContact O-CB 3.28Å; C1104-K1108 WeakPolarHBondContact O-CB 3.24Å; C1104-K1108 PolarHBondContact O-N 3.34Å |
| 1105 | E | 78.4 | Confident | 82.3 | Confident | 103 Ų | 103 | 71.1 Ų | 71.1 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -28.9 | 176.8 | -173.6 | 63.1 | -171.7 | 0 | 0 | 112.2 | N1101 D1102 K1108 | N1101-E1105 WeakPolarHBondContact O-CB 3.44Å; N1101-E1105 PolarHBondContact O-N 3.08Å; D1102-E1105 PolarHBondContact O-N 3.26Å; E1105-K1108 VanDerWaalsContact CD-CE 3.44Å; E1105-K1108 WeakPolarHBondContact OE1-CE 3.37Å; E1105-K1108 IonicContact OE1-NZ 2.68Å; E1105-K1108 PolarHBondContact OE1-NZ 2.93Å; E1105-K1108 WeakPolarHBondContact OE2-CD 3.18Å; E1105-K1108 WeakPolarHBondContact OE2-CE 3.41Å; E1105-K1108 IonicContact OE2-NZ 2.69Å; E1105-K1108 PolarHBondContact OE2-NZ 3.47Å |
| 1106 | F | 75.8 | Confident | 81 | Confident | 147 Ų | 147 | 79.6 Ų | 79.6 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -78.3 | -37.1 | 174 | -172.7 | -91.8 | 0 | 0 | 0 | 113.9 | D1102 S1103 C1104 | D1102-F1106 WeakPolarHBondContact O-CB 3.25Å; D1102-F1106 PolarHBondContact O-N 3.4Å; S1103-F1106 PolarHBondContact O-N 3.48Å; C1104-F1106 VanDerWaalsContact C-N 3.3Å; C1104-F1106 PolarHBondContact O-N 3.33Å |
| 1107 | Y | 76.4 | Confident | 79.7 | Confident | 148 Ų | 148 | 82.9 Ų | 82.9 | 58% | 0.58 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -104.3 | 10.4 | -176.6 | -66.4 | -63.9 | 0 | 0 | 0 | 114.3 | L1099 S1103 C1104 | L1099-Y1107 HydrophobicContact CD1-CD2 4.29Å; L1099-Y1107 HydrophobicContact CD2-CD2 4.47Å; S1103-Y1107 WeakPolarHBondContact O-CB 3.33Å; S1103-Y1107 WeakPolarHBondContact O-CD2 3.3Å; S1103-Y1107 PolarHBondContact O-N 2.82Å; C1104-Y1107 PolarHBondContact O-N 2.79Å |
| 1108 | K | 86.6 | Confident | 78.4 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | trans | -65.5 | 140.4 | 176.4 | 62.5 | -178.6 | 176.7 | -179.2 | 0 | 111.4 | E1093 W1094 C1095 C1104 E1105 W1187 | E1093-K1108 HydrophobicContact CB-CD 4.41Å; E1093-K1108 VanDerWaalsContact CD-NZ 3.34Å; E1093-K1108 VanDerWaalsContact OE1-CE 3.27Å; E1093-K1108 WeakPolarHBondContact OE1-CE 3.49Å; E1093-K1108 IonicContact OE1-NZ 2.75Å; E1093-K1108 PolarHBondContact OE1-NZ 2.6Å; E1093-K1108 IonicContact OE2-NZ 3.79Å; E1093-K1108 PolarHBondContact OE2-NZ 2.93Å; W1094-K1108 CarbonylContact O-C 3.46Å; W1094-K1108 VanDerWaalsContact O-CA 3.28Å; W1094-K1108 WeakPolarHBondContact O-CA 3.26Å; C1095-K1108 HydrophobicContact CB-CB 4.14Å; C1104-K1108 WeakPolarHBondContact O-CA 3.29Å; C1104-K1108 VanDerWaalsContact O-CB 3.28Å; C1104-K1108 WeakPolarHBondContact O-CB 3.24Å; C1104-K1108 PolarHBondContact O-N 3.34Å; E1105-K1108 VanDerWaalsContact CD-CE 3.44Å; E1105-K1108 WeakPolarHBondContact OE1-CE 3.37Å; E1105-K1108 IonicContact OE1-NZ 2.68Å; E1105-K1108 PolarHBondContact OE1-NZ 2.93Å; E1105-K1108 WeakPolarHBondContact OE2-CD 3.18Å; E1105-K1108 WeakPolarHBondContact OE2-CE 3.41Å; E1105-K1108 IonicContact OE2-NZ 2.69Å; E1105-K1108 PolarHBondContact OE2-NZ 3.47Å; K1108-W1187 HydrophobicContact CB-CH2 4.47Å; K1108-W1187 HydrophobicContact CD-CH2 4.39Å; K1108-W1187 HydrophobicContact CD-CZ2 3.96Å | ||
| 1109 | K | 85.8 | Confident | 77.4 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 151.4 | 159.2 | -66.1 | -172.9 | 176.9 | -169.9 | 0 | 108.6 | E1093 W1094 | E1093-K1109 WeakPolarHBondContact CA-O 3.47Å; W1094-K1109 HydrophobicContact CD2-CB 3.93Å; W1094-K1109 HydrophobicContact CE3-CB 4.28Å; W1094-K1109 HydrophobicContact CH2-CB 3.87Å; W1094-K1109 HydrophobicContact CZ2-CB 3.51Å; W1094-K1109 HydrophobicContact CZ2-CD 3.88Å; W1094-K1109 HydrophobicContact CZ2-CG 4.35Å; W1094-K1109 HydrophobicContact CZ3-CB 4.24Å; W1094-K1109 PolarHBondContact N-O 2.93Å; W1094-K1109 PolarHBondContact O-N 2.88Å |
| 1110 | S | 89.1 | Confident | 76.2 | Confident | 63 Ų | 63 | 82 Ų | 82 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.8 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | I1092 | I1092-S1110 CarbonylContact O-C 3.53Å; I1092-S1110 VanDerWaalsContact O-CA 3.3Å; I1092-S1110 WeakPolarHBondContact O-CA 3.43Å |
| 1111 | Q | 86.8 | Confident | 75.2 | Confident | 79 Ų | 79 | 83 Ų | 83 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.6 | 175 | -178.2 | 61.1 | 54.7 | 0 | 0 | 108.9 | I1092 W1094 Y1113 | I1092-Q1111 PolarHBondContact N-O 2.82Å; I1092-Q1111 PolarHBondContact O-N 2.88Å; W1094-Q1111 HydrophobicContact CH2-CB 3.93Å; W1094-Q1111 HydrophobicContact CZ3-CB 3.77Å; Q1111-Y1113 HydrophobicContact CB-CD2 4.39Å; Q1111-Y1113 HydrophobicContact CB-CE2 3.78Å; Q1111-Y1113 HydrophobicContact CG-CD2 3.87Å; Q1111-Y1113 HydrophobicContact CG-CE1 4.4Å; Q1111-Y1113 HydrophobicContact CG-CE2 3.29Å |
| 1112 | D | 88.1 | Confident | 74 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.7 | 172.9 | -70.8 | -13.7 | 0 | 0 | 0 | 109.5 | R1091 I1114 L1191 | R1091-D1112 WeakPolarHBondContact CB-OD1 3.43Å; R1091-D1112 WeakPolarHBondContact CG-OD1 2.88Å; R1091-D1112 IonicContact CZ-OD1 2.76Å; R1091-D1112 IonicContact CZ-OD2 3.93Å; R1091-D1112 IonicContact NE-OD1 3.64Å; R1091-D1112 PolarHBondContact NE-OD1 3.28Å; R1091-D1112 IonicContact NE-OD2 2.68Å; R1091-D1112 IonicContact NH2-OD1 3.83Å; R1091-D1112 PolarHBondContact NH2-OD1 3.09Å; R1091-D1112 IonicContact NH2-OD2 3.67Å; R1091-D1112 PolarHBondContact NH2-OD2 3.33Å; D1112-I1114 HydrophobicContact CB-CD1 4.34Å; D1112-L1191 HydrophobicContact CB-CD1 4.08Å |
| 1113 | Y | 84.8 | Confident | 72.8 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 6% | 0.059 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 98.6 | 176.5 | -70.7 | -91.3 | 0 | 0 | 0 | 107.9 | G1089 F1090 I1092 Q1111 S1162 I1164 V1173 N1174 | G1089-Y1113 WeakPolarHBondContact CA-O 3.25Å; F1090-Y1113 PolarHBondContact N-O 2.81Å; F1090-Y1113 PolarHBondContact O-N 2.92Å; I1092-Y1113 HydrophobicContact CB-CE2 4.41Å; I1092-Y1113 HydrophobicContact CD1-CD2 3.96Å; I1092-Y1113 HydrophobicContact CD1-CE2 3.63Å; I1092-Y1113 HydrophobicContact CG1-CD2 3.94Å; I1092-Y1113 HydrophobicContact CG1-CE2 3.93Å; Q1111-Y1113 HydrophobicContact CB-CD2 4.39Å; Q1111-Y1113 HydrophobicContact CB-CE2 3.78Å; Q1111-Y1113 HydrophobicContact CG-CD2 3.87Å; Q1111-Y1113 HydrophobicContact CG-CE1 4.4Å; Q1111-Y1113 HydrophobicContact CG-CE2 3.29Å; Y1113-S1162 VanDerWaalsContact CD1-O 3.29Å; Y1113-S1162 WeakPolarHBondContact CD1-O 3.4Å; Y1113-I1164 HydrophobicContact CD1-CG1 4.26Å; Y1113-I1164 HydrophobicContact CG-CG1 4.26Å; Y1113-V1173 HydrophobicContact CD1-CG1 3.98Å; Y1113-V1173 HydrophobicContact CD2-CG1 4.19Å; Y1113-V1173 HydrophobicContact CE1-CG1 3.42Å; Y1113-V1173 VanDerWaalsContact CE1-CG1 3.42Å; Y1113-V1173 HydrophobicContact CE2-CG1 3.65Å; Y1113-V1173 HydrophobicContact CG-CG1 4.33Å; Y1113-V1173 WeakPolarHBondContact OH-CG1 3.32Å; Y1113-N1174 PolarHBondContact OH-O 2.84Å |
| 1114 | I | 81.5 | Confident | 71.1 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 41% | 0.41 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.8 | -177.3 | -56.8 | -48.5 | 0 | 0 | 0 | 109.5 | Q1088 D1112 L1191 | Q1088-I1114 HydrophobicContact CG-CD1 4.06Å; Q1088-I1114 HydrophobicContact CG-CG2 4.08Å; D1112-I1114 HydrophobicContact CB-CD1 4.34Å; I1114-L1191 HydrophobicContact CD1-CD1 3.93Å |
| 1115 | L | 73.1 | Confident | 69.2 | Low | 36 Ų | 36 | 79.7 Ų | 79.7 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | trans | -90.9 | 116 | 179.2 | -71.4 | 166.5 | 0 | 0 | 0 | 110.2 | F1087 Q1088 F1090 Q1117 I1164 Y1171 | F1087-L1115 HydrophobicContact CE1-CD1 3.55Å; F1087-L1115 HydrophobicContact CZ-CD1 3.73Å; Q1088-L1115 PolarHBondContact O-N 2.94Å; F1090-L1115 HydrophobicContact CE2-CD1 4.33Å; L1115-Q1117 PolarHBondContact O-N 2.89Å; L1115-Q1117 VanDerWaalsContact O-N 3.09Å; L1115-I1164 HydrophobicContact CD2-CB 4.04Å; L1115-I1164 HydrophobicContact CD2-CD1 4.01Å; L1115-I1164 HydrophobicContact CD2-CG1 4.27Å; L1115-I1164 HydrophobicContact CG-CD1 4.24Å; L1115-Y1171 HydrophobicContact CD1-CE1 4.45Å | ||
| 1116 | E | 63.1 | Low | 67.1 | Low | 182 Ų | 182 | 79.7 Ų | 79.7 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -52.3 | -34.5 | -178.9 | -64.9 | -165.8 | 136.8 | 0 | 0 | 113.9 | ||
| 1117 | Q | 59.4 | Low | 64.8 | Low | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -130 | 122.1 | 167.2 | -65 | -168.9 | 41.6 | 0 | 0 | 109.6 | L1115 | L1115-Q1117 PolarHBondContact O-N 2.89Å; L1115-Q1117 VanDerWaalsContact O-N 3.09Å |
| 1118 | P | 59.7 | Low | 62.4 | Low | 41 Ų | 41 | 80.4 Ų | 80.4 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | trans | -66.5 | 146.4 | 172.7 | 28.2 | -34.6 | 0 | 0 | 0 | 110.3 | F1087 F1123 | F1087-P1118 HydrophobicContact CD1-CB 4.18Å; P1118-F1123 HydrophobicContact CB-CD2 3.85Å; P1118-F1123 HydrophobicContact CB-CE2 3.59Å; P1118-F1123 HydrophobicContact CG-CD2 3.65Å; P1118-F1123 HydrophobicContact CG-CE2 3.58Å | ||
| 1119 | P | 63.3 | Low | 59.4 | Low | 27 Ų | 27 | 87.3 Ų | 87.3 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | trans | -55.7 | 144.6 | -175.2 | -27 | 34.7 | 0 | 0 | 0 | 113.1 | F1087 W1121 S1122 | F1087-P1119 HydrophobicContact CE1-CG 4.2Å; P1119-W1121 HydrophobicContact CB-CD2 3.93Å; P1119-W1121 HydrophobicContact CB-CG 4.22Å; P1119-W1121 HydrophobicContact CB-CH2 4.44Å; P1119-W1121 HydrophobicContact CB-CZ2 3.68Å; P1119-W1121 HydrophobicContact CG-CH2 4.33Å; P1119-W1121 HydrophobicContact CG-CZ2 3.74Å; P1119-W1121 PolarHBondContact O-N 3.11Å; P1119-S1122 WeakPolarHBondContact O-CB 3.18Å; P1119-S1122 PolarHBondContact O-N 3.13Å; P1119-S1122 PolarHBondContact O-OG 2.79Å | ||
| 1120 | S | 58.3 | Low | 56.5 | Low | 106 Ų | 106 | 86.7 Ų | 86.7 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.3 | -175.9 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1121 | W | 58.9 | Low | 53.4 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.9 | 176 | 52.2 | -104.1 | 0 | 0 | 0 | 114 | M1073 I1074 F1079 P1119 F1123 | M1073-W1121 HydrophobicContact CG-CH2 4.4Å; M1073-W1121 HydrophobicContact CG-CZ2 3.64Å; M1073-W1121 HydrophobicContact SD-CZ2 3.59Å; M1073-W1121 VanDerWaalsContact SD-CZ2 3.59Å; M1073-W1121 PolarHBondContact SD-NE1 2.72Å; M1073-W1121 VanDerWaalsContact SD-NE1 3.38Å; I1074-W1121 VanDerWaalsContact O-CH2 3.31Å; I1074-W1121 WeakPolarHBondContact O-CH2 3.04Å; I1074-W1121 WeakPolarHBondContact O-CZ3 3.33Å; F1079-W1121 HydrophobicContact CD1-CZ3 4.06Å; F1079-W1121 HydrophobicContact CD2-CH2 4.45Å; F1079-W1121 AromaticContact CD2-CZ3 3.71Å; F1079-W1121 HydrophobicContact CD2-CZ3 3.71Å; F1079-W1121 HydrophobicContact CE1-CZ3 4.02Å; F1079-W1121 HydrophobicContact CE2-CH2 4.07Å; F1079-W1121 AromaticContact CE2-CZ3 3.64Å; F1079-W1121 HydrophobicContact CE2-CZ3 3.64Å; F1079-W1121 HydrophobicContact CG-CE3 4.49Å; F1079-W1121 AromaticContact CG-CZ3 3.92Å; F1079-W1121 HydrophobicContact CG-CZ3 3.92Å; F1079-W1121 HydrophobicContact CZ-CH2 4.31Å; F1079-W1121 AromaticContact CZ-CZ3 3.8Å; F1079-W1121 HydrophobicContact CZ-CZ3 3.8Å; P1119-W1121 HydrophobicContact CB-CD2 3.93Å; P1119-W1121 HydrophobicContact CB-CG 4.22Å; P1119-W1121 HydrophobicContact CB-CH2 4.44Å; P1119-W1121 HydrophobicContact CB-CZ2 3.68Å; P1119-W1121 HydrophobicContact CG-CH2 4.33Å; P1119-W1121 HydrophobicContact CG-CZ2 3.74Å; P1119-W1121 PolarHBondContact O-N 3.11Å; W1121-F1123 VanDerWaalsContact C-N 3.28Å; W1121-F1123 PolarHBondContact O-N 2.8Å |
| 1122 | S | 53.7 | Low | 50.5 | Low | 3 Ų | 3 | 91.3 Ų | 91.3 | 2% | 0.021 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -19.8 | 178.8 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | P1119 | P1119-S1122 WeakPolarHBondContact O-CB 3.18Å; P1119-S1122 PolarHBondContact O-N 3.13Å; P1119-S1122 PolarHBondContact O-OG 2.79Å |
| 1123 | F | 52.6 | Low | 47.6 | Very low | 41 Ų | 41 | 96.7 Ų | 96.7 | 18% | 0.18 | 50% | 0.495 | C | S | . | . | trans | -133.9 | 68.4 | -179.9 | -69.9 | -66.1 | 0 | 0 | 0 | 113.9 | I1086 P1118 W1121 N1125 L1126 | I1086-F1123 HydrophobicContact CB-CE1 4.43Å; I1086-F1123 HydrophobicContact CB-CZ 3.98Å; I1086-F1123 HydrophobicContact CG1-CE1 4.2Å; I1086-F1123 HydrophobicContact CG1-CZ 4.24Å; I1086-F1123 HydrophobicContact CG2-CE1 4.28Å; I1086-F1123 HydrophobicContact CG2-CE2 4.19Å; I1086-F1123 HydrophobicContact CG2-CZ 3.52Å; P1118-F1123 HydrophobicContact CB-CD2 3.85Å; P1118-F1123 HydrophobicContact CB-CE2 3.59Å; P1118-F1123 HydrophobicContact CG-CD2 3.65Å; P1118-F1123 HydrophobicContact CG-CE2 3.58Å; W1121-F1123 VanDerWaalsContact C-N 3.28Å; W1121-F1123 PolarHBondContact O-N 2.8Å; F1123-N1125 PolarHBondContact O-N 2.79Å; F1123-L1126 HydrophobicContact CB-CB 4.13Å; F1123-L1126 HydrophobicContact CD1-CB 4.35Å; F1123-L1126 HydrophobicContact CD1-CD1 3.98Å; F1123-L1126 HydrophobicContact CE1-CD1 4.45Å; F1123-L1126 PolarHBondContact O-N 3.33Å | ||
| 1124 | P | 39.4 | Very low | 44.9 | Very low | 65 Ų | 65 | 101.8 Ų | 101.8 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.2 | -176.9 | -25.4 | 35.2 | 0 | 0 | 0 | 115.1 | ||
| 1125 | N | 38.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 105 Ų | 105 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -1.6 | -173.6 | -64.6 | -51.3 | 0 | 0 | 0 | 114.7 | F1123 | F1123-N1125 PolarHBondContact O-N 2.79Š|
| 1126 | L | 35.2 | Very low | 40.2 | Very low | 103 Ų | 103 | 108.5 Ų | 108.5 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -109.2 | 30.7 | -175.7 | -83.3 | 166.9 | 0 | 0 | 0 | 114.5 | F1123 | F1123-L1126 HydrophobicContact CB-CB 4.13Å; F1123-L1126 HydrophobicContact CD1-CB 4.35Å; F1123-L1126 HydrophobicContact CD1-CD1 3.98Å; F1123-L1126 HydrophobicContact CE1-CD1 4.45Å; F1123-L1126 PolarHBondContact O-N 3.33Å |
| 1127 | R | 26.1 | Very low | 38.8 | Very low | 175 Ų | 175 | 105.2 Ų | 105.2 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | trans | -127.6 | 57.1 | 156 | -68.2 | -164.1 | -172.3 | -159.4 | 3.7 | 111.7 | ||||
| 1128 | R | 26.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 105.8 Ų | 105.8 | 51% | 0.506 | 54% | 0.544 | S | S | . | . | trans | -133.8 | 52.1 | 170.4 | -79.5 | -168.1 | 173 | -139.9 | -6.5 | 113.1 | T1888 T1889 | R1128-T1888 VanDerWaalsContact CZ-O 3.28Å; R1128-T1888 PolarHBondContact NH1-O 3.3Å; R1128-T1888 PolarHBondContact NH1-OG1 3.49Å; R1128-T1888 PolarHBondContact NH2-O 3.02Å; R1128-T1889 PolarHBondContact NH1-OG1 3.44Å | ||
| 1129 | M | 23.3 | Very low | 36.3 | Very low | 194 Ų | 194 | 107.5 Ų | 107.5 | 96% | 0.956 | 56% | 0.555 | S | S | * | * | trans | -133.4 | 50.1 | 155.5 | -142.8 | 168.4 | -169.4 | 0 | 0 | 110.8 | ||||
| 1130 | S | 24.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -58.6 | 150.6 | 157.7 | 52 | 0 | 0 | 0 | 0 | 110 | ||||
| 1131 | S | 24.9 | Very low | 33.3 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 69% | 0.692 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -45.8 | 158.4 | 165.3 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1132 | Q | 26.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 116 Ų | 116 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | trans | 90.6 | 97.4 | 174.4 | -53.8 | 172.7 | -10 | 0 | 0 | 116.3 | ||||
| 1133 | I | 26.4 | Very low | 30.7 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -95.1 | 118.1 | 135.3 | -66.4 | 176.9 | 0 | 0 | 0 | 105.7 | ||||
| 1134 | F | 27.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 54% | 0.535 | 65% | 0.654 | S | S | . | * | trans | -131.7 | 113.8 | 176.6 | -126.6 | -61.6 | 0 | 0 | 0 | 109.4 | T1893 | F1134-T1893 HydrophobicContact CB-CG2 3.93Å; F1134-T1893 HydrophobicContact CD1-CG2 3.25Å; F1134-T1893 HydrophobicContact CD2-CG2 3.85Å; F1134-T1893 HydrophobicContact CE1-CG2 3.54Å; F1134-T1893 HydrophobicContact CE2-CG2 4.11Å; F1134-T1893 HydrophobicContact CG-CG2 3.41Å; F1134-T1893 VanDerWaalsContact CG-CG2 3.41Å; F1134-T1893 HydrophobicContact CZ-CG2 3.96Å | ||
| 1135 | L | 28.6 | Very low | 29.1 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -140.2 | 129 | 164.2 | -80.2 | 158 | 0 | 0 | 0 | 103.1 | ||||
| 1136 | D | 28.3 | Very low | 28.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | cis | -133 | 172.2 | 24.1 | -79.7 | -47.2 | 0 | 0 | 0 | 115.5 | ||||
| 1137 | N | 33.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | trans | 79.5 | 100.9 | 150.3 | -69.8 | -38.8 | 0 | 0 | 0 | 121.3 | T1893 | N1137-T1893 CarbonylContact O-C 3.14Š| ||
| 1138 | Q | 30.8 | Very low | 28.4 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 65% | 0.654 | 71% | 0.705 | S | S | * | * | trans | 81.4 | 155.1 | 130 | -66.2 | -71.1 | -46.4 | 0 | 0 | 119.5 | ||||
| 1139 | P | 36.3 | Very low | 28.4 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 50% | 0.5 | 72% | 0.715 | S | S | . | * | trans | -120.9 | 177.4 | -161.8 | 43.3 | -32.1 | 0 | 0 | 0 | 115 | T1892 | P1139-T1892 HydrophobicContact CB-CG2 3.88Š| ||
| 1140 | I | 31 | Very low | 28.6 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | 179.7 | 132.1 | 129.1 | -94.4 | 156.8 | 0 | 0 | 0 | 110.9 | |||||
| 1141 | N | 27.8 | Very low | 29 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 23.1 | 148.2 | 147.3 | -59.2 | -7.3 | 0 | 0 | 0 | 121.7 | ||||
| 1142 | N | 28.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | cis | -174 | 161.4 | -3.6 | -109.7 | -13.2 | 0 | 0 | 0 | 110.5 | ||||
| 1143 | N | 29.5 | Very low | 29.3 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | 68.5 | 148.7 | 146.9 | -67.5 | -7 | 0 | 0 | 0 | 118.5 | ||||
| 1144 | V | 28.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | cis | -162.2 | 145 | -0.7 | 114.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1145 | V | 29.3 | Very low | 29.1 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | trans | 50.7 | 116.8 | 148.6 | 173.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1146 | H | 29.4 | Very low | 29 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | 66.1 | 108.5 | 65.6 | -83.6 | -66.4 | 0 | 0 | 0 | 118.3 | |||||
| 1147 | T | 29.4 | Very low | 28.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -174.2 | 122.2 | 135.6 | 27.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1148 | K | 26 | Very low | 28.5 | Very low | 210 Ų | 210 | 129 Ų | 129 | 91% | 0.913 | 74% | 0.738 | S | S | * | * | 64.9 | 114.2 | 75 | -80.3 | -167.6 | 172.7 | -175.2 | 0 | 115.9 | |||||
| 1149 | G | 27.2 | Very low | 28.3 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 148.2 | 111.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1150 | I | 25.7 | Very low | 28.1 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | 84.4 | 143.8 | 139.1 | -59.5 | 170 | 0 | 0 | 0 | 118.5 | ||||
| 1151 | P | 34.8 | Very low | 28.3 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -127.1 | -151.9 | -161.6 | 36.8 | -14 | 0 | 0 | 0 | 114.8 | ||||
| 1152 | V | 25.1 | Very low | 29.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | trans | 90.4 | 139.8 | 166.2 | -175.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1153 | P | 31.1 | Very low | 30.9 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | cis | -144.5 | -157.1 | -35.2 | 44.7 | -24.6 | 0 | 0 | 0 | 114.5 | ||||
| 1154 | M | 25.7 | Very low | 33.1 | Very low | 162 Ų | 162 | 115.7 Ų | 115.7 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | trans | 71.8 | 112.2 | 156.4 | -80.7 | -174.3 | -72.4 | 0 | 0 | 119.1 | ||||
| 1155 | S | 25 | Very low | 35.4 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | 81.3 | 137.6 | 88.7 | 80.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1156 | S | 25.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | cis | -161.6 | 166.1 | 13.6 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1157 | T | 26.1 | Very low | 39.9 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 82% | 0.816 | 64% | 0.643 | S | S | * | * | trans | 67.2 | 142.4 | 175.5 | 72.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1158 | T | 26 | Very low | 42.2 | Very low | 136 Ų | 136 | 112.1 Ų | 112.1 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | cis | -99.8 | 151.7 | -11.8 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | D1160 | T1158-D1160 PolarHBondContact O-N 3.28Š| ||
| 1159 | I | 25.2 | Very low | 44.8 | Very low | 134 Ų | 134 | 106.5 Ų | 106.5 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | trans | -88.1 | 111.2 | 175.3 | -60.3 | 176.4 | 0 | 0 | 0 | 108.4 | S1161 | I1159-S1161 PolarHBondContact O-N 2.68Å; I1159-S1161 VanDerWaalsContact O-N 3.16Å | ||
| 1160 | D | 32.1 | Very low | 47.6 | Very low | 99 Ų | 99 | 106.1 Ų | 106.1 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | trans | -64.8 | 109.9 | 165.7 | -174.8 | -17.4 | 0 | 0 | 0 | 109 | T1158 S1162 N1163 | T1158-D1160 PolarHBondContact O-N 3.28Å; D1160-S1162 VanDerWaalsContact CG-OG 3.31Å; D1160-S1162 PolarHBondContact O-N 2.79Å; D1160-S1162 VanDerWaalsContact O-N 3.14Å; D1160-S1162 WeakPolarHBondContact OD1-CB 3.41Å; D1160-S1162 PolarHBondContact OD1-N 3.03Å; D1160-S1162 PolarHBondContact OD1-OG 2.74Å; D1160-N1163 PolarHBondContact OD2-ND2 3.33Å | ||
| 1161 | S | 37.2 | Very low | 50.6 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | 0.7 | -171 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | I1159 | I1159-S1161 PolarHBondContact O-N 2.68Å; I1159-S1161 VanDerWaalsContact O-N 3.16Å |
| 1162 | S | 50.8 | Low | 53.2 | Low | 68 Ų | 68 | 93.9 Ų | 93.9 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -19.2 | -178.3 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | Y1113 D1160 | Y1113-S1162 VanDerWaalsContact CD1-O 3.29Å; Y1113-S1162 WeakPolarHBondContact CD1-O 3.4Å; D1160-S1162 VanDerWaalsContact CG-OG 3.31Å; D1160-S1162 PolarHBondContact O-N 2.79Å; D1160-S1162 VanDerWaalsContact O-N 3.14Å; D1160-S1162 WeakPolarHBondContact OD1-CB 3.41Å; D1160-S1162 PolarHBondContact OD1-N 3.03Å; D1160-S1162 PolarHBondContact OD1-OG 2.74Å |
| 1163 | N | 60.5 | Low | 56.2 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 141.5 | -164.6 | -81.3 | -61.3 | 0 | 0 | 0 | 114.7 | D1160 | D1160-N1163 PolarHBondContact OD2-ND2 3.33Š|
| 1164 | I | 73.9 | Confident | 58.8 | Low | 24 Ų | 24 | 85.5 Ų | 85.5 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 124 | 166.3 | -49.6 | -170.5 | 0 | 0 | 0 | 109.1 | F1090 Y1113 L1115 Y1171 V1173 | F1090-I1164 HydrophobicContact CD2-CD1 3.68Å; F1090-I1164 HydrophobicContact CE2-CD1 4.45Å; Y1113-I1164 HydrophobicContact CD1-CG1 4.26Å; Y1113-I1164 HydrophobicContact CG-CG1 4.26Å; L1115-I1164 HydrophobicContact CD2-CB 4.04Å; L1115-I1164 HydrophobicContact CD2-CD1 4.01Å; L1115-I1164 HydrophobicContact CD2-CG1 4.27Å; L1115-I1164 HydrophobicContact CG-CD1 4.24Å; I1164-Y1171 HydrophobicContact CG2-CD1 3.76Å; I1164-Y1171 HydrophobicContact CG2-CG 4.21Å; I1164-V1173 HydrophobicContact CB-CG2 4.1Å; I1164-V1173 HydrophobicContact CD1-CG2 4.37Å; I1164-V1173 HydrophobicContact CG1-CG2 3.79Å; I1164-V1173 HydrophobicContact CG2-CG2 3.87Å |
| 1165 | Q | 77.1 | Confident | 61.6 | Low | 106 Ų | 106 | 77.9 Ų | 77.9 | 50% | 0.495 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.9 | 170.4 | -65.3 | 178.6 | -19.7 | 0 | 0 | 109.6 | Y1171 I1172 | Q1165-Y1171 CarbonylContact O-C 3.52Å; Q1165-Y1171 WeakPolarHBondContact O-CA 3.02Å; Q1165-I1172 HydrophobicContact CB-CB 4.28Å; Q1165-I1172 PolarHBondContact N-O 3.28Å; Q1165-I1172 PolarHBondContact O-N 3.3Å |
| 1166 | Y | 76.6 | Confident | 64.4 | Low | 110 Ų | 110 | 75 Ų | 75 | 43% | 0.431 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.3 | 172.7 | -178 | -87 | 0 | 0 | 0 | 109.4 | M1073 D1169 Y1170 Y1171 | M1073-Y1166 HydrophobicContact CB-CE2 4.11Å; M1073-Y1166 VanDerWaalsContact CE-OH 3.32Å; M1073-Y1166 WeakPolarHBondContact CE-OH 3.04Å; M1073-Y1166 HydrophobicContact CG-CE2 4.22Å; M1073-Y1166 HydrophobicContact SD-CE2 3.76Å; M1073-Y1166 PolarHBondContact SD-OH 3.34Å; Y1166-D1169 WeakPolarHBondContact OH-CA 3.18Å; Y1166-D1169 PolarHBondContact OH-OD1 2.12Å; Y1166-Y1170 WeakPolarHBondContact CA-O 3.49Å; Y1166-Y1171 AromaticContact CD2-CD1 3.94Å; Y1166-Y1171 HydrophobicContact CD2-CD1 3.94Å; Y1166-Y1171 AromaticContact CD2-CE1 3.74Å; Y1166-Y1171 HydrophobicContact CD2-CE1 3.74Å; Y1166-Y1171 HydrophobicContact CE2-CE1 4.36Å |
| 1167 | E | 76.9 | Confident | 66.8 | Low | 114 Ų | 114 | 77.6 Ų | 77.6 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.1 | -178.6 | -148.5 | -175.3 | -160.8 | 0 | 0 | 111.1 | D1169 Y1170 I1172 | E1167-D1169 VanDerWaalsContact C-N 3.29Å; E1167-D1169 PolarHBondContact O-N 3.5Å; E1167-Y1170 PolarHBondContact N-O 2.99Å; E1167-Y1170 PolarHBondContact O-N 3.41Å; E1167-I1172 HydrophobicContact CB-CD1 3.93Å |
| 1168 | N | 78.4 | Confident | 69.4 | Low | 132 Ų | 132 | 71.4 Ų | 71.4 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.3 | 173.9 | -56.4 | -53.7 | 0 | 0 | 0 | 115.4 | Y1170 | N1168-Y1170 VanDerWaalsContact C-N 3.29Å; N1168-Y1170 VanDerWaalsContact O-CD2 3.26Å; N1168-Y1170 WeakPolarHBondContact O-CD2 2.99Å; N1168-Y1170 PolarHBondContact O-N 2.95Å |
| 1169 | D | 80 | Confident | 71.9 | Confident | 93 Ų | 93 | 67 Ų | 67 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 20.6 | -175.1 | -56.6 | -27.6 | 0 | 0 | 0 | 116 | M1073 Y1166 E1167 | M1073-D1169 PolarHBondContact N-O 2.82Å; Y1166-D1169 WeakPolarHBondContact OH-CA 3.18Å; Y1166-D1169 PolarHBondContact OH-OD1 2.12Å; E1167-D1169 VanDerWaalsContact C-N 3.29Å; E1167-D1169 PolarHBondContact O-N 3.5Å |
| 1170 | Y | 87.4 | Confident | 74.6 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.8 | 167.6 | -65.1 | -96.3 | 0 | 0 | 0 | 111.6 | E1056 K1058 W1071 K1072 Y1166 E1167 N1168 | E1056-Y1170 HydrophobicContact CB-CE1 4.42Å; E1056-Y1170 PolarHBondContact OE2-OH 2.75Å; K1058-Y1170 PolarHBondContact NZ-OH 3.49Å; W1071-Y1170 CarbonylContact O-C 3.58Å; W1071-Y1170 VanDerWaalsContact O-CA 3.26Å; W1071-Y1170 WeakPolarHBondContact O-CA 3.49Å; K1072-Y1170 HydrophobicContact CB-CD1 4.14Å; K1072-Y1170 HydrophobicContact CB-CE1 3.94Å; K1072-Y1170 HydrophobicContact CG-CE1 4.33Å; Y1166-Y1170 WeakPolarHBondContact CA-O 3.49Å; E1167-Y1170 PolarHBondContact N-O 2.99Å; E1167-Y1170 PolarHBondContact O-N 3.41Å; N1168-Y1170 VanDerWaalsContact C-N 3.29Å; N1168-Y1170 VanDerWaalsContact O-CD2 3.26Å; N1168-Y1170 WeakPolarHBondContact O-CD2 2.99Å; N1168-Y1170 PolarHBondContact O-N 2.95Å |
| 1171 | Y | 87.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.5 | 157.2 | -61.7 | -71.7 | 0 | 0 | 0 | 108.6 | S1070 W1071 M1073 F1090 L1115 I1164 Q1165 Y1166 | S1070-Y1171 CarbonylContact C-O 3.27Å; S1070-Y1171 WeakPolarHBondContact CA-O 3.5Å; S1070-Y1171 WeakPolarHBondContact CB-O 3.44Å; W1071-Y1171 AromaticContact CD1-CD2 3.79Å; W1071-Y1171 PolarHBondContact N-O 2.82Å; W1071-Y1171 AromaticContact NE1-CD2 3.49Å; W1071-Y1171 AromaticContact NE1-CG 3.89Å; W1071-Y1171 PolarHBondContact O-N 3.38Å; M1073-Y1171 HydrophobicContact CB-CE2 4.3Å; M1073-Y1171 HydrophobicContact CG-CE2 4.3Å; F1090-Y1171 HydrophobicContact CE2-CD1 4.21Å; F1090-Y1171 AromaticContact CE2-CD2 3.79Å; F1090-Y1171 HydrophobicContact CE2-CD2 3.79Å; F1090-Y1171 HydrophobicContact CE2-CE1 4.18Å; F1090-Y1171 AromaticContact CE2-CE2 3.74Å; F1090-Y1171 HydrophobicContact CE2-CE2 3.74Å; F1090-Y1171 HydrophobicContact CE2-CG 4.02Å; F1090-Y1171 AromaticContact CE2-CZ 3.95Å; F1090-Y1171 AromaticContact CZ-CD2 3.64Å; F1090-Y1171 HydrophobicContact CZ-CD2 3.64Å; F1090-Y1171 AromaticContact CZ-CE2 3.49Å; F1090-Y1171 HydrophobicContact CZ-CE2 3.49Å; F1090-Y1171 VanDerWaalsContact CZ-CE2 3.49Å; F1090-Y1171 HydrophobicContact CZ-CG 4.33Å; L1115-Y1171 HydrophobicContact CD1-CE1 4.45Å; I1164-Y1171 HydrophobicContact CG2-CD1 3.76Å; I1164-Y1171 HydrophobicContact CG2-CG 4.21Å; Q1165-Y1171 CarbonylContact O-C 3.52Å; Q1165-Y1171 WeakPolarHBondContact O-CA 3.02Å; Y1166-Y1171 AromaticContact CD2-CD1 3.94Å; Y1166-Y1171 HydrophobicContact CD2-CD1 3.94Å; Y1166-Y1171 AromaticContact CD2-CE1 3.74Å; Y1166-Y1171 HydrophobicContact CD2-CE1 3.74Å; Y1166-Y1171 HydrophobicContact CE2-CE1 4.36Å |
| 1172 | I | 88.9 | Confident | 79.3 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.4 | -179.3 | -56.2 | 177.5 | 0 | 0 | 0 | 108.1 | L1060 T1068 L1069 Q1165 E1167 | L1060-I1172 HydrophobicContact CD1-CD1 4.17Å; L1060-I1172 HydrophobicContact CD1-CG1 4.33Å; L1060-I1172 HydrophobicContact CD1-CG2 3.88Å; T1068-I1172 HydrophobicContact CG2-CG2 3.9Å; L1069-I1172 WeakPolarHBondContact O-CA 3.02Å; Q1165-I1172 HydrophobicContact CB-CB 4.28Å; Q1165-I1172 PolarHBondContact N-O 3.28Å; Q1165-I1172 PolarHBondContact O-N 3.3Å; E1167-I1172 HydrophobicContact CB-CD1 3.93Å |
| 1173 | V | 87.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.5 | -177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | T1068 L1069 W1071 I1092 Y1113 I1164 | T1068-V1173 CarbonylContact C-O 3.08Å; T1068-V1173 WeakPolarHBondContact CA-O 3.35Å; L1069-V1173 PolarHBondContact N-O 2.7Å; L1069-V1173 PolarHBondContact O-N 2.84Å; W1071-V1173 HydrophobicContact CH2-CB 4.11Å; W1071-V1173 HydrophobicContact CH2-CG2 3.49Å; W1071-V1173 VanDerWaalsContact CH2-CG2 3.49Å; W1071-V1173 HydrophobicContact CZ2-CG2 4.34Å; W1071-V1173 HydrophobicContact CZ3-CB 4.17Å; W1071-V1173 HydrophobicContact CZ3-CG2 4.01Å; I1092-V1173 HydrophobicContact CD1-CB 4.05Å; I1092-V1173 HydrophobicContact CD1-CG1 3.66Å; I1092-V1173 HydrophobicContact CD1-CG2 4.48Å; Y1113-V1173 HydrophobicContact CD1-CG1 3.98Å; Y1113-V1173 HydrophobicContact CD2-CG1 4.19Å; Y1113-V1173 HydrophobicContact CE1-CG1 3.42Å; Y1113-V1173 VanDerWaalsContact CE1-CG1 3.42Å; Y1113-V1173 HydrophobicContact CE2-CG1 3.65Å; Y1113-V1173 HydrophobicContact CG-CG1 4.33Å; Y1113-V1173 WeakPolarHBondContact OH-CG1 3.32Å; I1164-V1173 HydrophobicContact CB-CG2 4.1Å; I1164-V1173 HydrophobicContact CD1-CG2 4.37Å; I1164-V1173 HydrophobicContact CG1-CG2 3.79Å; I1164-V1173 HydrophobicContact CG2-CG2 3.87Å |
| 1174 | N | 86.4 | Confident | 82.6 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 112.5 | 171.4 | -165.2 | 40.3 | 0 | 0 | 0 | 110.5 | N1066 T1068 Y1113 N1176 | N1066-N1174 PolarHBondContact ND2-ND2 3.02Å; T1068-N1174 PolarHBondContact OG1-OD1 2.77Å; Y1113-N1174 PolarHBondContact OH-O 2.84Å; N1174-N1176 PolarHBondContact ND2-OD1 2.84Å; N1174-N1176 PolarHBondContact O-ND2 3.32Å |
| 1175 | L | 85.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.5 | 179.8 | -172.2 | 68.3 | 0 | 0 | 0 | 109.3 | N1066 I1067 L1069 I1092 W1094 L1178 I1186 | N1066-L1175 CarbonylContact C-O 3.37Å; N1066-L1175 WeakPolarHBondContact CA-O 3.09Å; N1066-L1175 WeakPolarHBondContact CB-O 2.94Å; I1067-L1175 PolarHBondContact N-O 2.55Å; I1067-L1175 WeakPolarHBondContact O-CB 3.2Å; I1067-L1175 PolarHBondContact O-N 2.96Å; L1069-L1175 HydrophobicContact CD1-CB 4.23Å; L1069-L1175 HydrophobicContact CD1-CD2 4.14Å; I1092-L1175 HydrophobicContact CG2-CD2 4.36Å; W1094-L1175 HydrophobicContact CD2-CD2 3.99Å; W1094-L1175 HydrophobicContact CE3-CD1 4.13Å; W1094-L1175 HydrophobicContact CE3-CD2 4.08Å; W1094-L1175 HydrophobicContact CG-CD2 4.4Å; W1094-L1175 HydrophobicContact CH2-CD1 3.72Å; W1094-L1175 HydrophobicContact CZ2-CD1 4.17Å; W1094-L1175 HydrophobicContact CZ3-CD1 3.68Å; W1094-L1175 HydrophobicContact CZ3-CD2 4.45Å; L1175-L1178 HydrophobicContact CD2-CD1 4.25Å; L1175-L1178 HydrophobicContact CD2-CD2 3.97Å; L1175-L1178 HydrophobicContact CG-CD1 4.33Å; L1175-L1178 HydrophobicContact CG-CD2 4.06Å; L1175-L1178 HydrophobicContact CG-CG 4.45Å; L1175-I1186 HydrophobicContact CD2-CD1 4.47Å |
| 1176 | N | 82.8 | Confident | 84.1 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -109 | -178.1 | -173.3 | -57.6 | -79 | 0 | 0 | 0 | 112.1 | N1065 N1066 N1174 L1178 | N1065-N1176 CarbonylContact O-C 3.55Å; N1066-N1176 HydrophobicContact CB-CB 4.35Å; N1066-N1176 VanDerWaalsContact CB-OD1 3.23Å; N1066-N1176 WeakPolarHBondContact CB-OD1 3.37Å; N1066-N1176 PolarHBondContact ND2-OD1 2.89Å; N1066-N1176 VanDerWaalsContact ND2-OD1 3.09Å; N1174-N1176 PolarHBondContact ND2-OD1 2.84Å; N1174-N1176 PolarHBondContact O-ND2 3.32Å; N1176-L1178 PolarHBondContact O-N 3.33Å | ||
| 1177 | E | 75.4 | Confident | 84.9 | Confident | 153 Ų | 153 | 46.2 Ų | 46.2 | 72% | 0.715 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 55.9 | 31.2 | 179.8 | -59.3 | -177 | -172.7 | 0 | 0 | 114 | N1065 | N1065-E1177 PolarHBondContact O-N 3.16Å; N1065-E1177 VanDerWaalsContact O-N 3.08Å |
| 1178 | L | 81.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -80 | 142.9 | 175.4 | -58.5 | -179.8 | 0 | 0 | 0 | 110.3 | N1065 I1067 W1094 L1175 N1176 L1184 T1207 | N1065-L1178 WeakPolarHBondContact CA-O 3.48Å; N1065-L1178 PolarHBondContact O-N 2.75Å; I1067-L1178 HydrophobicContact CB-CD1 3.81Å; I1067-L1178 HydrophobicContact CD1-CD1 3.78Å; I1067-L1178 HydrophobicContact CG1-CD1 3.59Å; W1094-L1178 HydrophobicContact CZ2-CD2 4.17Å; W1094-L1178 VanDerWaalsContact NE1-CD2 3.29Å; L1175-L1178 HydrophobicContact CD2-CD1 4.25Å; L1175-L1178 HydrophobicContact CD2-CD2 3.97Å; L1175-L1178 HydrophobicContact CG-CD1 4.33Å; L1175-L1178 HydrophobicContact CG-CD2 4.06Å; L1175-L1178 HydrophobicContact CG-CG 4.45Å; N1176-L1178 PolarHBondContact O-N 3.33Å; L1178-L1184 HydrophobicContact CB-CD1 4.29Å; L1178-L1184 HydrophobicContact CD1-CD1 3.9Å; L1178-L1184 HydrophobicContact CD2-CD1 3.88Å; L1178-L1184 HydrophobicContact CG-CD1 4.25Å; L1178-T1207 HydrophobicContact CB-CG2 4.17Å; L1178-T1207 HydrophobicContact CD1-CG2 4.4Å |
| 1179 | P | 78.6 | Confident | 86.4 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 29% | 0.286 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 135.1 | 172.5 | 29.9 | -33.2 | 0 | 0 | 0 | 110.1 | S1064 T1182 T1207 | S1064-P1179 CarbonylContact O-C 3.59Å; P1179-T1182 HydrophobicContact CG-CG2 4Å; P1179-T1182 PolarHBondContact O-OG1 3.1Å; P1179-T1207 WeakPolarHBondContact O-CB 3.28Å; P1179-T1207 PolarHBondContact O-OG1 2.75Å |
| 1180 | G | 81.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 160 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1064 T1182 T1207 K1208 N1239 | S1064-G1180 VanDerWaalsContact O-CA 3.26Å; S1064-G1180 WeakPolarHBondContact O-CA 3.1Å; S1064-G1180 PolarHBondContact O-N 2.87Å; G1180-T1182 PolarHBondContact O-N 2.85Å; G1180-T1182 VanDerWaalsContact O-N 3.17Å; G1180-T1182 PolarHBondContact O-OG1 3.38Å; G1180-T1207 VanDerWaalsContact C-OG1 3.3Å; G1180-T1207 WeakPolarHBondContact CA-OG1 3.14Å; G1180-K1208 CarbonylContact C-O 3.59Å; G1180-K1208 WeakPolarHBondContact CA-O 2.98Å; G1180-N1239 CarbonylContact C-O 3.47Å; G1180-N1239 WeakPolarHBondContact CA-O 3.18Å; G1180-N1239 PolarHBondContact N-OD1 3.41Å; G1180-N1239 VanDerWaalsContact N-OD1 3.1Å |
| 1181 | K | 83.5 | Confident | 87 | Confident | 92 Ų | 92 | 29.4 Ų | 29.4 | 40% | 0.4 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 35.5 | 177.5 | -155.2 | -174.5 | -166.9 | 160.5 | 0 | 113.8 | T1207 K1208 E1209 E1241 | K1181-T1207 WeakPolarHBondContact CA-O 3.19Å; K1181-T1207 PolarHBondContact N-O 3.09Å; K1181-T1207 PolarHBondContact N-OG1 2.65Å; K1181-T1207 VanDerWaalsContact N-OG1 3.16Å; K1181-K1208 PolarHBondContact N-O 3.27Å; K1181-E1209 HydrophobicContact CB-CB 4.41Å; K1181-E1209 HydrophobicContact CB-CG 4.33Å; K1181-E1209 HydrophobicContact CD-CG 4.26Å; K1181-E1209 VanDerWaalsContact CD-OE2 3.24Å; K1181-E1209 WeakPolarHBondContact CD-OE2 3.48Å; K1181-E1209 WeakPolarHBondContact CE-OE2 2.91Å; K1181-E1209 IonicContact NZ-OE2 3.92Å; K1181-E1209 PolarHBondContact NZ-OE2 2.8Å; K1181-E1241 IonicContact NZ-OE2 3.26Å; K1181-E1241 PolarHBondContact NZ-OE2 3.05Å |
| 1182 | T | 84.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | trans | -125.9 | 133.6 | -173 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | P1179 G1180 L1184 E1206 T1207 | P1179-T1182 HydrophobicContact CG-CG2 4Å; P1179-T1182 PolarHBondContact O-OG1 3.1Å; G1180-T1182 PolarHBondContact O-N 2.85Å; G1180-T1182 VanDerWaalsContact O-N 3.17Å; G1180-T1182 PolarHBondContact O-OG1 3.38Å; T1182-L1184 HydrophobicContact CG2-CD2 3.74Å; T1182-E1206 WeakPolarHBondContact O-CA 2.96Å; T1182-T1207 PolarHBondContact N-OG1 2.78Å; T1182-T1207 PolarHBondContact O-N 2.81Å; T1182-T1207 PolarHBondContact O-OG1 3.12Å | ||
| 1183 | K | 88.8 | Confident | 86.5 | Confident | 75 Ų | 75 | 33 Ų | 33 | 33% | 0.326 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 127 | 170.2 | -64.3 | -179.8 | -160.8 | 146.6 | 0 | 110.5 | N1096 A1097 D1098 V1205 E1206 | N1096-K1183 CarbonylContact C-O 3.43Å; N1096-K1183 VanDerWaalsContact CA-O 3.27Å; N1096-K1183 WeakPolarHBondContact CA-O 3.24Å; N1096-K1183 PolarHBondContact OD1-O 3.09Å; N1096-K1183 VanDerWaalsContact OD1-O 3.13Å; A1097-K1183 HydrophobicContact CB-CB 3.95Å; A1097-K1183 PolarHBondContact N-O 2.76Å; D1098-K1183 IonicContact OD1-NZ 2.75Å; D1098-K1183 PolarHBondContact OD1-NZ 3.37Å; D1098-K1183 IonicContact OD2-NZ 3.83Å; K1183-V1205 CarbonylContact C-O 3.47Å; K1183-V1205 WeakPolarHBondContact CA-O 3.25Å; K1183-E1206 WeakPolarHBondContact CE-OE2 3.32Å; K1183-E1206 HydrophobicContact CG-CB 4.08Å; K1183-E1206 HydrophobicContact CG-CG 3.74Å; K1183-E1206 WeakPolarHBondContact CG-OE2 3.37Å |
| 1184 | L | 90.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.4 | -178.6 | -55.3 | 178.8 | 0 | 0 | 0 | 109.6 | I1067 C1095 L1178 T1182 I1186 I1204 V1205 T1207 | I1067-L1184 HydrophobicContact CD1-CD1 4.21Å; C1095-L1184 CarbonylContact O-C 3.35Å; C1095-L1184 WeakPolarHBondContact O-CA 3.03Å; L1178-L1184 HydrophobicContact CB-CD1 4.29Å; L1178-L1184 HydrophobicContact CD1-CD1 3.9Å; L1178-L1184 HydrophobicContact CD2-CD1 3.88Å; L1178-L1184 HydrophobicContact CG-CD1 4.25Å; T1182-L1184 HydrophobicContact CG2-CD2 3.74Å; L1184-I1186 HydrophobicContact CB-CD1 4.16Å; L1184-I1186 HydrophobicContact CB-CG1 3.96Å; L1184-I1204 WeakPolarHBondContact O-CA 3.34Å; L1184-V1205 HydrophobicContact CB-CG1 4.26Å; L1184-V1205 PolarHBondContact N-O 3.28Å; L1184-V1205 PolarHBondContact O-N 2.96Å; L1184-T1207 HydrophobicContact CD1-CG2 3.89Å |
| 1185 | K | 91 | Very high | 86.2 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.8 | 167 | 178.2 | -168.4 | 169.3 | -164.3 | 0 | 106.1 | W1094 C1095 A1097 N1101 W1187 V1202 I1203 I1204 | W1094-K1185 CarbonylContact C-O 3.3Å; W1094-K1185 WeakPolarHBondContact CA-O 3.24Å; W1094-K1185 WeakPolarHBondContact CB-O 3.46Å; C1095-K1185 PolarHBondContact N-O 2.9Å; C1095-K1185 PolarHBondContact O-N 3.47Å; A1097-K1185 HydrophobicContact CB-CB 3.92Å; N1101-K1185 PolarHBondContact OD1-NZ 3.49Å; K1185-W1187 HydrophobicContact CB-CZ3 4.38Å; K1185-W1187 HydrophobicContact CD-CZ3 3.99Å; K1185-W1187 HydrophobicContact CG-CE3 4.09Å; K1185-W1187 HydrophobicContact CG-CZ3 3.86Å; K1185-W1187 WeakPolarHBondContact O-CZ3 3.41Å; K1185-V1202 HydrophobicContact CD-CG1 4.24Å; K1185-V1202 HydrophobicContact CG-CG1 3.4Å; K1185-I1203 CarbonylContact C-O 3.52Å; K1185-I1203 WeakPolarHBondContact CA-O 3.34Å; K1185-I1204 HydrophobicContact CB-CG1 4.38Å; K1185-I1204 HydrophobicContact CG-CG1 4.44Å |
| 1186 | I | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137 | -169.3 | -48.4 | -177 | 0 | 0 | 0 | 110.1 | I1067 L1069 I1092 E1093 W1094 L1175 L1184 I1203 V1205 | I1067-I1186 HydrophobicContact CD1-CD1 4.26Å; L1069-I1186 HydrophobicContact CD1-CG2 3.98Å; L1069-I1186 HydrophobicContact CD2-CG2 4.28Å; I1092-I1186 HydrophobicContact CG2-CG2 3.86Å; E1093-I1186 WeakPolarHBondContact O-CA 3.09Å; W1094-I1186 HydrophobicContact CB-CB 4.31Å; W1094-I1186 HydrophobicContact CB-CG1 3.87Å; W1094-I1186 HydrophobicContact CB-CG2 4.34Å; L1175-I1186 HydrophobicContact CD2-CD1 4.47Å; L1184-I1186 HydrophobicContact CB-CD1 4.16Å; L1184-I1186 HydrophobicContact CB-CG1 3.96Å; I1186-I1203 PolarHBondContact N-O 3.39Å; I1186-I1203 PolarHBondContact O-N 2.97Å; I1186-V1205 HydrophobicContact CD1-CG1 3.55Å; I1186-V1205 HydrophobicContact CG1-CG1 4.2Å |
| 1187 | W | 93.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166.1 | 173.1 | 60.9 | 94.4 | 0 | 0 | 0 | 111.4 | E1093 K1108 K1185 E1199 V1202 | E1093-W1187 HydrophobicContact CB-CD2 4.18Å; E1093-W1187 HydrophobicContact CB-CH2 4.41Å; E1093-W1187 HydrophobicContact CB-CZ2 3.67Å; E1093-W1187 PolarHBondContact N-O 2.8Å; E1093-W1187 PolarHBondContact O-N 2.9Å; E1093-W1187 PolarHBondContact OE2-NE1 2.82Å; K1108-W1187 HydrophobicContact CB-CH2 4.47Å; K1108-W1187 HydrophobicContact CD-CH2 4.39Å; K1108-W1187 HydrophobicContact CD-CZ2 3.96Å; K1185-W1187 HydrophobicContact CB-CZ3 4.38Å; K1185-W1187 HydrophobicContact CD-CZ3 3.99Å; K1185-W1187 HydrophobicContact CG-CE3 4.09Å; K1185-W1187 HydrophobicContact CG-CZ3 3.86Å; K1185-W1187 WeakPolarHBondContact O-CZ3 3.41Å; W1187-E1199 HydrophobicContact CB-CB 4.48Å; W1187-E1199 HydrophobicContact CG-CB 4.2Å; W1187-V1202 HydrophobicContact CB-CG2 4.11Å; W1187-V1202 HydrophobicContact CE3-CG1 4.29Å |
| 1188 | V | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.6 | -176.7 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | P1054 L1057 W1071 F1090 R1091 I1092 S1200 | P1054-V1188 HydrophobicContact CB-CB 4.35Å; P1054-V1188 HydrophobicContact CB-CG1 4.39Å; P1054-V1188 HydrophobicContact CG-CB 3.93Å; P1054-V1188 HydrophobicContact CG-CG1 3.8Å; P1054-V1188 WeakPolarHBondContact CG-O 3.39Å; L1057-V1188 HydrophobicContact CD1-CG2 3.67Å; L1057-V1188 HydrophobicContact CD2-CG2 4.06Å; W1071-V1188 HydrophobicContact CD2-CG1 4.4Å; W1071-V1188 HydrophobicContact CE3-CG2 4.06Å; W1071-V1188 HydrophobicContact CH2-CG1 4.21Å; W1071-V1188 HydrophobicContact CZ2-CG1 4.05Å; W1071-V1188 HydrophobicContact CZ3-CG1 4.48Å; W1071-V1188 HydrophobicContact CZ3-CG2 4.06Å; F1090-V1188 HydrophobicContact CB-CG1 4.01Å; F1090-V1188 HydrophobicContact CD1-CG1 4.02Å; F1090-V1188 HydrophobicContact CG-CG1 4.41Å; R1091-V1188 CarbonylContact O-C 3.18Å; R1091-V1188 VanDerWaalsContact O-CA 3.31Å; R1091-V1188 WeakPolarHBondContact O-CA 3.49Å; I1092-V1188 HydrophobicContact CG1-CG1 4.45Å; I1092-V1188 HydrophobicContact CG1-CG2 4.15Å; I1092-V1188 HydrophobicContact CG2-CG2 4.44Å; V1188-S1200 PolarHBondContact N-OG 2.93Å; V1188-S1200 WeakPolarHBondContact O-CB 3.13Å; V1188-S1200 PolarHBondContact O-N 2.96Å; V1188-S1200 PolarHBondContact O-OG 3.09Å |
| 1189 | R | 93.8 | Very high | 87.8 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.5 | 171.6 | -60 | 178 | -174.4 | -78.8 | -10.7 | 110 | F1090 R1091 E1093 A1196 G1197 E1199 | F1090-R1189 CarbonylContact C-O 3.5Å; F1090-R1189 WeakPolarHBondContact CA-O 2.86Å; R1091-R1189 HydrophobicContact CB-CB 4.41Å; R1091-R1189 PolarHBondContact N-O 3.07Å; R1091-R1189 PolarHBondContact O-N 3.13Å; E1093-R1189 IonicContact OE2-CZ 3.31Å; E1093-R1189 IonicContact OE2-NE 2.7Å; E1093-R1189 PolarHBondContact OE2-NE 2.81Å; E1093-R1189 IonicContact OE2-NH2 2.6Å; E1093-R1189 PolarHBondContact OE2-NH2 2.57Å; R1189-A1196 HydrophobicContact CB-CB 4.12Å; R1189-G1197 VanDerWaalsContact CD-O 3.3Å; R1189-G1197 WeakPolarHBondContact CD-O 3.43Å; R1189-G1197 WeakPolarHBondContact CG-O 2.96Å; R1189-G1197 PolarHBondContact NH1-O 2.52Å; R1189-E1199 IonicContact CZ-OE2 3.87Å; R1189-E1199 IonicContact NH1-OE2 2.83Å; R1189-E1199 IonicContact NH2-OE2 3.39Å; R1189-E1199 PolarHBondContact NH2-OE2 2.94Å |
| 1190 | I | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140.1 | 169.2 | -75.7 | 165.7 | 0 | 0 | 0 | 109.5 | P1050 L1052 P1054 I1074 M1083 F1087 F1090 A1196 G1197 | P1050-I1190 HydrophobicContact CB-CG2 4.22Å; L1052-I1190 HydrophobicContact CB-CD1 3.6Å; P1054-I1190 HydrophobicContact CG-CD1 4.48Å; P1054-I1190 HydrophobicContact CG-CG1 4.04Å; I1074-I1190 HydrophobicContact CD1-CD1 3.56Å; I1074-I1190 HydrophobicContact CD1-CG1 4.17Å; I1074-I1190 HydrophobicContact CG1-CD1 3.77Å; M1083-I1190 HydrophobicContact CE-CG2 3.38Å; M1083-I1190 HydrophobicContact SD-CG2 3.71Å; F1087-I1190 HydrophobicContact CD2-CG2 4.07Å; F1087-I1190 HydrophobicContact CE2-CG2 4.16Å; F1090-I1190 HydrophobicContact CD1-CG1 3.93Å; F1090-I1190 HydrophobicContact CE1-CD1 4.44Å; F1090-I1190 HydrophobicContact CE1-CG1 3.62Å; I1190-A1196 CarbonylContact O-C 3.31Å; I1190-A1196 WeakPolarHBondContact O-CA 3.13Å; I1190-G1197 PolarHBondContact O-N 3Å |
| 1191 | L | 90.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.1 | 177.6 | -66.7 | 173.2 | 0 | 0 | 0 | 111.7 | M1083 Q1088 G1089 R1091 D1112 I1114 A1196 | M1083-L1191 VanDerWaalsContact CE-C 3.47Å; M1083-L1191 WeakPolarHBondContact CE-O 2.78Å; Q1088-L1191 HydrophobicContact CB-CB 4.47Å; Q1088-L1191 PolarHBondContact N-O 3.02Å; G1089-L1191 PolarHBondContact O-N 2.78Å; R1091-L1191 HydrophobicContact CB-CD1 4.2Å; R1091-L1191 HydrophobicContact CB-CD2 4Å; R1091-L1191 HydrophobicContact CB-CG 4.13Å; D1112-L1191 HydrophobicContact CB-CD1 4.08Å; I1114-L1191 HydrophobicContact CD1-CD1 3.93Å; L1191-A1196 HydrophobicContact CD2-CB 3.78Å |
| 1192 | N | 85.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | trans | -96.2 | -172.5 | 148 | 69.8 | 26.6 | 0 | 0 | 0 | 110.4 | E1047 D1048 P1050 M1083 I1086 Q1088 Q1194 Y1195 | E1047-N1192 VanDerWaalsContact OE2-CB 3.23Å; E1047-N1192 WeakPolarHBondContact OE2-CB 3.44Å; E1047-N1192 PolarHBondContact OE2-OD1 2.95Å; D1048-N1192 PolarHBondContact O-ND2 2.66Å; P1050-N1192 HydrophobicContact CG-CB 4.21Å; M1083-N1192 HydrophobicContact CE-CB 3.6Å; M1083-N1192 PolarHBondContact O-ND2 2.96Å; I1086-N1192 WeakPolarHBondContact O-CA 2.93Å; I1086-N1192 WeakPolarHBondContact O-CB 3.27Å; Q1088-N1192 PolarHBondContact OE1-O 2.74Å; N1192-Q1194 PolarHBondContact O-N 3Å; N1192-Q1194 PolarHBondContact OD1-N 3.25Å; N1192-Y1195 PolarHBondContact N-O 3.28Å; N1192-Y1195 VanDerWaalsContact N-O 3.08Å; N1192-Y1195 WeakPolarHBondContact OD1-CA 3.27Å; N1192-Y1195 PolarHBondContact OD1-N 3.46Å; N1192-Y1195 PolarHBondContact OD1-O 3.21Å | ||
| 1193 | I | 80.3 | Confident | 89.3 | Confident | 99 Ų | 99 | 38.5 Ų | 38.5 | 51% | 0.508 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -63.2 | -26.1 | -172.6 | -71.7 | 176.2 | 0 | 0 | 0 | 112.3 | E1047 I1086 | E1047-I1193 WeakPolarHBondContact OE2-CB 3.33Å; E1047-I1193 PolarHBondContact OE2-N 2.92Å; I1086-I1193 HydrophobicContact CB-CD1 3.67Å; I1086-I1193 HydrophobicContact CB-CG1 3.97Å; I1086-I1193 HydrophobicContact CD1-CD1 3.81Å; I1086-I1193 HydrophobicContact CG1-CD1 4.16Å; I1086-I1193 HydrophobicContact CG2-CD1 3.9Å; I1086-I1193 HydrophobicContact CG2-CG1 4.19Å; I1086-I1193 PolarHBondContact O-N 2.88Å |
| 1194 | Q | 79.2 | Confident | 89.3 | Confident | 89 Ų | 89 | 40.4 Ų | 40.4 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -126.5 | -18.3 | -170.3 | -163.5 | 169.6 | 5.7 | 0 | 0 | 114.9 | N935 N1192 | N935-Q1194 PolarHBondContact O-NE2 3.32Å; N935-Q1194 PolarHBondContact O-OE1 2.69Å; N1192-Q1194 PolarHBondContact O-N 3Å; N1192-Q1194 PolarHBondContact OD1-N 3.25Å |
| 1195 | Y | 88.3 | Confident | 89.3 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 22% | 0.216 | 21% | 0.211 | C | C | . | . | trans | -135.9 | 137.8 | -173.4 | -60.1 | -77.4 | 0 | 0 | 0 | 112.9 | P937 E1047 I1049 N1192 | P937-Y1195 WeakPolarHBondContact CD-OH 3.02Å; E1047-Y1195 HydrophobicContact CB-CD2 4.28Å; E1047-Y1195 HydrophobicContact CB-CE2 4.45Å; E1047-Y1195 WeakPolarHBondContact O-CE2 2.83Å; I1049-Y1195 HydrophobicContact CG1-CD1 4.06Å; I1049-Y1195 HydrophobicContact CG1-CG 4.25Å; N1192-Y1195 PolarHBondContact N-O 3.28Å; N1192-Y1195 VanDerWaalsContact N-O 3.08Å; N1192-Y1195 WeakPolarHBondContact OD1-CA 3.27Å; N1192-Y1195 PolarHBondContact OD1-N 3.46Å; N1192-Y1195 PolarHBondContact OD1-O 3.21Å | ||
| 1196 | A | 88.6 | Confident | 89.2 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1189 I1190 L1191 | R1189-A1196 HydrophobicContact CB-CB 4.12Å; I1190-A1196 CarbonylContact O-C 3.31Å; I1190-A1196 WeakPolarHBondContact O-CA 3.13Å; L1191-A1196 HydrophobicContact CD2-CB 3.78Å |
| 1197 | G | 88.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -172.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1189 I1190 | R1189-G1197 VanDerWaalsContact CD-O 3.3Å; R1189-G1197 WeakPolarHBondContact CD-O 3.43Å; R1189-G1197 WeakPolarHBondContact CG-O 2.96Å; R1189-G1197 PolarHBondContact NH1-O 2.52Å; I1190-G1197 PolarHBondContact O-N 3Å |
| 1198 | P | 91.4 | Very high | 88.6 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 154.7 | 168.7 | 26.1 | -33.9 | 0 | 0 | 0 | 111.6 | P1050 T1053 | P1050-P1198 WeakPolarHBondContact O-CD 3.19Å; T1053-P1198 HydrophobicContact CG2-CB 3.79Å; T1053-P1198 HydrophobicContact CG2-CG 3.54Å |
| 1199 | E | 89.6 | Confident | 88.3 | Confident | 95 Ų | 95 | 51.3 Ų | 51.3 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 146.8 | 175.2 | 56.8 | -152 | -132.8 | 0 | 0 | 112.2 | T1053 W1187 R1189 | T1053-E1199 VanDerWaalsContact CG2-O 3.29Å; T1053-E1199 WeakPolarHBondContact CG2-O 3.04Å; W1187-E1199 HydrophobicContact CB-CB 4.48Å; W1187-E1199 HydrophobicContact CG-CB 4.2Å; R1189-E1199 IonicContact CZ-OE2 3.87Å; R1189-E1199 IonicContact NH1-OE2 2.83Å; R1189-E1199 IonicContact NH2-OE2 3.39Å; R1189-E1199 PolarHBondContact NH2-OE2 2.94Å |
| 1200 | S | 91.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | trans | -65.9 | 175.4 | 164.8 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | P1054 V1188 V1202 | P1054-S1200 WeakPolarHBondContact O-CB 3.03Å; V1188-S1200 PolarHBondContact N-OG 2.93Å; V1188-S1200 WeakPolarHBondContact O-CB 3.13Å; V1188-S1200 PolarHBondContact O-N 2.96Å; V1188-S1200 PolarHBondContact O-OG 3.09Å; S1200-V1202 PolarHBondContact O-N 3.03Å | ||
| 1201 | D | 86.9 | Confident | 87.6 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | trans | -48.8 | 139.9 | 157.4 | -59.2 | -57.6 | 0 | 0 | 0 | 110.5 | L1057 | L1057-D1201 WeakPolarHBondContact CD2-O 2.94Š| ||
| 1202 | V | 89.5 | Confident | 87.3 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -95 | 133.3 | -175.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | K1185 W1187 S1200 | K1185-V1202 HydrophobicContact CD-CG1 4.24Å; K1185-V1202 HydrophobicContact CG-CG1 3.4Å; W1187-V1202 HydrophobicContact CB-CG2 4.11Å; W1187-V1202 HydrophobicContact CE3-CG1 4.29Å; S1200-V1202 PolarHBondContact O-N 3.03Å | ||
| 1203 | I | 91.4 | Very high | 87.1 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.2 | 172.4 | -58.3 | -179.3 | 0 | 0 | 0 | 110.1 | L1057 I1059 K1185 I1186 | L1057-I1203 HydrophobicContact CB-CD1 4.27Å; L1057-I1203 HydrophobicContact CD2-CD1 4.03Å; L1057-I1203 HydrophobicContact CD2-CG1 4.11Å; L1057-I1203 HydrophobicContact CG-CD1 3.72Å; L1057-I1203 HydrophobicContact CG-CG1 4.3Å; I1059-I1203 HydrophobicContact CD1-CG2 3.63Å; I1059-I1203 HydrophobicContact CG1-CD1 4.15Å; I1059-I1203 HydrophobicContact CG1-CG2 4.26Å; K1185-I1203 CarbonylContact C-O 3.52Å; K1185-I1203 WeakPolarHBondContact CA-O 3.34Å; I1186-I1203 PolarHBondContact N-O 3.39Å; I1186-I1203 PolarHBondContact O-N 2.97Å |
| 1204 | I | 90.4 | Very high | 87.4 | Confident | 116 Ų | 116 | 56 Ų | 56 | 60% | 0.595 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.9 | 167.4 | -61.2 | 174.1 | 0 | 0 | 0 | 108.7 | A1097 L1184 K1185 | A1097-I1204 HydrophobicContact CB-CG1 4.41Å; A1097-I1204 HydrophobicContact CB-CG2 3.77Å; L1184-I1204 WeakPolarHBondContact O-CA 3.34Å; K1185-I1204 HydrophobicContact CB-CG1 4.38Å; K1185-I1204 HydrophobicContact CG-CG1 4.44Å |
| 1205 | V | 90 | Very high | 87.6 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 144.1 | -174.1 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | I1059 I1062 I1067 K1183 L1184 I1186 | I1059-V1205 HydrophobicContact CD1-CB 3.56Å; I1059-V1205 HydrophobicContact CD1-CG1 3.69Å; I1059-V1205 HydrophobicContact CD1-CG2 3.72Å; I1062-V1205 HydrophobicContact CD1-CG2 3.47Å; I1062-V1205 VanDerWaalsContact CD1-CG2 3.47Å; I1062-V1205 HydrophobicContact CG1-CG2 3.86Å; I1062-V1205 HydrophobicContact CG2-CG2 4.37Å; I1067-V1205 HydrophobicContact CD1-CB 4.4Å; I1067-V1205 HydrophobicContact CD1-CG1 3.58Å; I1067-V1205 HydrophobicContact CD1-CG2 3.89Å; K1183-V1205 CarbonylContact C-O 3.47Å; K1183-V1205 WeakPolarHBondContact CA-O 3.25Å; L1184-V1205 HydrophobicContact CB-CG1 4.26Å; L1184-V1205 PolarHBondContact N-O 3.28Å; L1184-V1205 PolarHBondContact O-N 2.96Å; I1186-V1205 HydrophobicContact CD1-CG1 3.55Å; I1186-V1205 HydrophobicContact CG1-CG1 4.2Å |
| 1206 | E | 88.8 | Confident | 87 | Confident | 110 Ų | 110 | 51.1 Ų | 51.1 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.9 | 178 | -160.8 | 166.5 | 140.5 | 0 | 0 | 110.4 | I1062 T1182 K1183 | I1062-E1206 WeakPolarHBondContact CG2-O 3.03Å; T1182-E1206 WeakPolarHBondContact O-CA 2.96Å; K1183-E1206 WeakPolarHBondContact CE-OE2 3.32Å; K1183-E1206 HydrophobicContact CG-CB 4.08Å; K1183-E1206 HydrophobicContact CG-CG 3.74Å; K1183-E1206 WeakPolarHBondContact CG-OE2 3.37Å |
| 1207 | T | 86.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.7 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | I1067 L1178 P1179 G1180 K1181 T1182 L1184 | I1067-T1207 HydrophobicContact CD1-CG2 3.95Å; I1067-T1207 HydrophobicContact CG1-CG2 4.41Å; L1178-T1207 HydrophobicContact CB-CG2 4.17Å; L1178-T1207 HydrophobicContact CD1-CG2 4.4Å; P1179-T1207 WeakPolarHBondContact O-CB 3.28Å; P1179-T1207 PolarHBondContact O-OG1 2.75Å; G1180-T1207 VanDerWaalsContact C-OG1 3.3Å; G1180-T1207 WeakPolarHBondContact CA-OG1 3.14Å; K1181-T1207 WeakPolarHBondContact CA-O 3.19Å; K1181-T1207 PolarHBondContact N-O 3.09Å; K1181-T1207 PolarHBondContact N-OG1 2.65Å; K1181-T1207 VanDerWaalsContact N-OG1 3.16Å; T1182-T1207 PolarHBondContact N-OG1 2.78Å; T1182-T1207 PolarHBondContact O-N 2.81Å; T1182-T1207 PolarHBondContact O-OG1 3.12Å; L1184-T1207 HydrophobicContact CD1-CG2 3.89Å |
| 1208 | K | 87.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 57 Ų | 57 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -67 | 160.3 | 175.5 | -64 | 174.3 | -177.6 | 153.3 | 0 | 110.6 | I1062 N1063 S1064 G1180 K1181 | I1062-K1208 WeakPolarHBondContact O-CE 3.44Å; I1062-K1208 PolarHBondContact O-NZ 2.61Å; N1063-K1208 PolarHBondContact O-N 3.03Å; S1064-K1208 WeakPolarHBondContact CA-O 3.3Å; S1064-K1208 WeakPolarHBondContact CB-O 3.48Å; G1180-K1208 CarbonylContact C-O 3.59Å; G1180-K1208 WeakPolarHBondContact CA-O 2.98Å; K1181-K1208 PolarHBondContact N-O 3.27Å |
| 1209 | E | 86.2 | Confident | 85.7 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 145.7 | 166.7 | -157.9 | 170.7 | 127.5 | 0 | 0 | 110 | S1064 K1181 G1240 S1302 V1303 | S1064-E1209 WeakPolarHBondContact CB-O 3.17Å; K1181-E1209 HydrophobicContact CB-CB 4.41Å; K1181-E1209 HydrophobicContact CB-CG 4.33Å; K1181-E1209 HydrophobicContact CD-CG 4.26Å; K1181-E1209 VanDerWaalsContact CD-OE2 3.24Å; K1181-E1209 WeakPolarHBondContact CD-OE2 3.48Å; K1181-E1209 WeakPolarHBondContact CE-OE2 2.91Å; K1181-E1209 IonicContact NZ-OE2 3.92Å; K1181-E1209 PolarHBondContact NZ-OE2 2.8Å; E1209-G1240 VanDerWaalsContact CG-CA 3.49Å; E1209-S1302 WeakPolarHBondContact OE1-CB 3.26Å; E1209-S1302 PolarHBondContact OE1-N 3.19Å; E1209-S1302 PolarHBondContact OE1-OG 2.96Å; E1209-V1303 HydrophobicContact CB-CG2 3.92Å; E1209-V1303 HydrophobicContact CG-CG2 4.03Å; E1209-V1303 WeakPolarHBondContact O-CG2 3.36Å |
| 1210 | G | 82.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | trans | -132.1 | -176.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1239 T1301 | G1210-N1239 PolarHBondContact N-O 2.69Å; G1210-T1301 WeakPolarHBondContact O-CB 2.95Å; G1210-T1301 PolarHBondContact O-OG1 2.76Å | ||
| 1211 | V | 85.7 | Confident | 84.6 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 150.2 | 174.4 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | N1239 V1303 R1305 | V1211-N1239 WeakPolarHBondContact O-CB 3.24Å; V1211-N1239 PolarHBondContact O-ND2 2.77Å; V1211-V1303 HydrophobicContact CG1-CB 3.97Å; V1211-V1303 HydrophobicContact CG1-CG1 3.8Å; V1211-R1305 WeakPolarHBondContact CG1-O 2.88Å |
| 1212 | P | 85.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 159.8 | 179.3 | -26.7 | 37.9 | 0 | 0 | 0 | 114.4 | L1238 L1242 A1299 T1301 G1306 | P1212-L1238 WeakPolarHBondContact CA-O 2.9Å; P1212-L1242 HydrophobicContact CG-CD1 4.05Å; P1212-A1299 HydrophobicContact CB-CB 3.64Å; P1212-A1299 HydrophobicContact CG-CB 3.93Å; P1212-T1301 HydrophobicContact CG-CG2 3.53Å; P1212-G1306 WeakPolarHBondContact O-CA 3.46Å |
| 1213 | E | 82 | Confident | 83.2 | Confident | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 160.9 | 159.5 | -168.4 | -174.5 | -175.4 | 0 | 0 | 111.4 | P1235 I1237 | E1213-P1235 HydrophobicContact CB-CB 4.16Å; E1213-P1235 WeakPolarHBondContact O-CB 3.32Å; E1213-P1235 WeakPolarHBondContact O-CG 3Å; E1213-I1237 HydrophobicContact CB-CB 4.12Å; E1213-I1237 WeakPolarHBondContact CB-O 3.48Å; E1213-I1237 PolarHBondContact N-O 3.19Å; E1213-I1237 PolarHBondContact OE2-N 3.05Å |
| 1214 | K | 86.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 46% | 0.461 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 147.2 | 171.7 | 65.8 | -166.1 | 173.2 | -160 | 0 | 112.5 | E1307 | K1214-E1307 WeakPolarHBondContact CA-O 3.11Å; K1214-E1307 HydrophobicContact CB-CB 3.85Å |
| 1215 | V | 82.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 130.1 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | W1232 I1233 P1235 Y1245 I1297 A1299 N1309 | V1215-W1232 HydrophobicContact CG1-CB 3.59Å; V1215-W1232 VanDerWaalsContact CG1-CD1 3.47Å; V1215-W1232 HydrophobicContact CG1-CG 3.78Å; V1215-I1233 WeakPolarHBondContact CG1-O 3.17Å; V1215-P1235 HydrophobicContact CG2-CG 4.25Å; V1215-Y1245 HydrophobicContact CG2-CD1 4.12Å; V1215-Y1245 HydrophobicContact CG2-CE1 4.18Å; V1215-I1297 HydrophobicContact CB-CG2 3.91Å; V1215-I1297 HydrophobicContact CG1-CD1 4.46Å; V1215-I1297 HydrophobicContact CG1-CG2 4.27Å; V1215-I1297 HydrophobicContact CG2-CG1 4.26Å; V1215-I1297 HydrophobicContact CG2-CG2 3.96Å; V1215-A1299 HydrophobicContact CG2-CB 4.01Å; V1215-N1309 HydrophobicContact CB-CB 4.46Å; V1215-N1309 VanDerWaalsContact O-CB 3.27Å; V1215-N1309 WeakPolarHBondContact O-CB 3.38Å; V1215-N1309 PolarHBondContact O-ND2 2.99Å |
| 1216 | S | 75.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 157.3 | 178.3 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | L1218 I1233 | S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 2.76Å; S1216-L1218 VanDerWaalsContact O-N 3.15Å; S1216-I1233 PolarHBondContact N-O 2.89Å; S1216-I1233 PolarHBondContact O-N 3.02Å; S1216-I1233 WeakPolarHBondContact OG-CB 3.45Å; S1216-I1233 WeakPolarHBondContact OG-CG2 2.99Å |
| 1217 | E | 76.7 | Confident | 80.9 | Confident | 136 Ų | 136 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 47 | 43.1 | 174 | -62.1 | -172.2 | -150.5 | 0 | 0 | 116.7 | T1219 I1233 | E1217-T1219 WeakPolarHBondContact O-CG2 2.79Å; E1217-T1219 PolarHBondContact O-N 2.91Å; E1217-T1219 VanDerWaalsContact O-N 3.14Å; E1217-T1219 PolarHBondContact O-OG1 3.22Å; E1217-T1219 VanDerWaalsContact O-OG1 3.1Å; E1217-I1233 HydrophobicContact CB-CD1 3.83Å; E1217-I1233 HydrophobicContact CB-CG1 4.08Å; E1217-I1233 HydrophobicContact CG-CD1 3.98Å |
| 1218 | L | 86.2 | Confident | 80.7 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 117.1 | 169.9 | -178.9 | 64.2 | 0 | 0 | 0 | 110.6 | S1216 V1230 W1232 I1297 N1309 V1311 | S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 2.76Å; S1216-L1218 VanDerWaalsContact O-N 3.15Å; L1218-V1230 HydrophobicContact CD1-CG1 3.5Å; L1218-W1232 HydrophobicContact CD1-CB 4.18Å; L1218-W1232 HydrophobicContact CD1-CE3 4.35Å; L1218-I1297 HydrophobicContact CD1-CG2 4.06Å; L1218-I1297 HydrophobicContact CD2-CG2 3.83Å; L1218-I1297 HydrophobicContact CG-CG2 4.4Å; L1218-N1309 HydrophobicContact CB-CB 4.41Å; L1218-N1309 HydrophobicContact CD2-CB 4.42Å; L1218-V1311 HydrophobicContact CD2-CB 4.07Å; L1218-V1311 HydrophobicContact CD2-CG1 3.76Å; L1218-V1311 HydrophobicContact CG-CB 4.26Å; L1218-V1311 HydrophobicContact CG-CG1 3.91Å |
| 1219 | T | 80.2 | Confident | 80.6 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.5 | -168.2 | 40.3 | 0 | 0 | 0 | 0 | 111.2 | E1217 V1230 S1231 | E1217-T1219 WeakPolarHBondContact O-CG2 2.79Å; E1217-T1219 PolarHBondContact O-N 2.91Å; E1217-T1219 VanDerWaalsContact O-N 3.14Å; E1217-T1219 PolarHBondContact O-OG1 3.22Å; E1217-T1219 VanDerWaalsContact O-OG1 3.1Å; T1219-V1230 CarbonylContact O-C 2.8Å; T1219-V1230 WeakPolarHBondContact O-CA 3.36Å; T1219-V1230 WeakPolarHBondContact O-CG1 3.13Å; T1219-S1231 PolarHBondContact N-O 3.04Å; T1219-S1231 PolarHBondContact O-N 2.98Å; T1219-S1231 PolarHBondContact OG1-O 2.86Å; T1219-S1231 VanDerWaalsContact OG1-O 3.11Å; T1219-S1231 PolarHBondContact OG1-OG 3Å |
| 1220 | I | 79 | Confident | 80.6 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 23% | 0.226 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.3 | 172.4 | -68.3 | 175.5 | 0 | 0 | 0 | 108.4 | F1222 I1223 I1228 E1229 V1230 V1311 F1313 | I1220-F1222 WeakPolarHBondContact CG2-O 2.7Å; I1220-I1223 HydrophobicContact CG2-CD1 4.39Å; I1220-I1223 HydrophobicContact CG2-CG1 3.81Å; I1220-I1228 HydrophobicContact CD1-CD1 4.19Å; I1220-I1228 HydrophobicContact CG1-CD1 4.47Å; I1220-E1229 CarbonylContact C-O 3.58Å; I1220-E1229 WeakPolarHBondContact CA-O 2.92Å; I1220-E1229 WeakPolarHBondContact CG2-O 3Å; I1220-V1230 HydrophobicContact CG1-CG2 4.48Å; I1220-V1311 HydrophobicContact CD1-CB 4.47Å; I1220-V1311 HydrophobicContact CD1-CG1 3.79Å; I1220-V1311 HydrophobicContact CD1-CG2 3.84Å; I1220-V1311 HydrophobicContact CG1-CG1 3.96Å; I1220-V1311 HydrophobicContact CG1-CG2 4.1Å; I1220-F1313 HydrophobicContact CD1-CB 3.54Å; I1220-F1313 HydrophobicContact CD1-CD1 3.53Å; I1220-F1313 HydrophobicContact CD1-CE1 4.43Å; I1220-F1313 HydrophobicContact CD1-CG 3.7Å |
| 1221 | T | 77.3 | Confident | 80.7 | Confident | 50 Ų | 50 | 35.5 Ų | 35.5 | 31% | 0.307 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -16.8 | -175.9 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | E1229 S1231 | T1221-E1229 PolarHBondContact N-O 3.18Å; T1221-E1229 VanDerWaalsContact OG1-CB 3.28Å; T1221-E1229 WeakPolarHBondContact OG1-CB 3.24Å; T1221-E1229 PolarHBondContact OG1-O 3.07Å; T1221-S1231 VanDerWaalsContact CG2-OG 3.26Å; T1221-S1231 WeakPolarHBondContact CG2-OG 3.2Å |
| 1222 | F | 71.4 | Confident | 80.8 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 149.5 | 171.1 | -168.3 | -124.7 | 0 | 0 | 0 | 113 | F3 I1220 H1227 I1228 E1229 Y1408 I1449 | F3-F1222 HydrophobicContact CD1-CD1 4.21Å; F3-F1222 HydrophobicContact CE1-CD1 4.08Å; F3-F1222 AromaticContact CE1-CE1 3.93Å; F3-F1222 HydrophobicContact CE1-CE1 3.93Å; I1220-F1222 WeakPolarHBondContact CG2-O 2.7Å; F1222-H1227 AromaticContact CD1-NE2 3.76Å; F1222-H1227 AromaticContact CE1-NE2 3.47Å; F1222-H1227 WeakPolarHBondContact CE1-NE2 3.16Å; F1222-I1228 CarbonylContact O-C 2.92Å; F1222-I1228 VanDerWaalsContact O-CA 3.24Å; F1222-I1228 WeakPolarHBondContact O-CA 3.18Å; F1222-I1228 WeakPolarHBondContact O-CB 3.38Å; F1222-E1229 HydrophobicContact CB-CB 4.06Å; F1222-E1229 VanDerWaalsContact CB-CD 3.46Å; F1222-E1229 HydrophobicContact CB-CG 4.39Å; F1222-E1229 WeakPolarHBondContact CB-OE2 3.21Å; F1222-E1229 WeakPolarHBondContact CD1-OE1 3.36Å; F1222-E1229 PolarHBondContact N-O 2.87Å; F1222-E1229 PolarHBondContact O-N 3.04Å; F1222-Y1408 HydrophobicContact CZ-CE1 4.02Å; F1222-I1449 HydrophobicContact CE2-CD1 3.67Å; F1222-I1449 HydrophobicContact CE2-CG1 4.36Å; F1222-I1449 HydrophobicContact CZ-CD1 3.99Å |
| 1223 | I | 76.5 | Confident | 80.7 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 17% | 0.169 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.4 | 170.3 | -62.7 | -180 | 0 | 0 | 0 | 108.4 | I1220 I1228 F1313 R1314 S1455 | I1220-I1223 HydrophobicContact CG2-CD1 4.39Å; I1220-I1223 HydrophobicContact CG2-CG1 3.81Å; I1223-I1228 HydrophobicContact CG1-CG2 4.27Å; I1223-F1313 HydrophobicContact CD1-CB 4.25Å; I1223-R1314 WeakPolarHBondContact CG2-O 3.13Å; I1223-S1455 WeakPolarHBondContact O-CB 3.14Å; I1223-S1455 PolarHBondContact O-OG 3.26Å |
| 1224 | G | 72.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -103.4 | -170.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1227 A1316 | G1224-H1227 WeakPolarHBondContact CA-O 3.25Å; G1224-H1227 PolarHBondContact N-O 2.73Å; G1224-A1316 PolarHBondContact O-N 3.29Å; G1224-A1316 VanDerWaalsContact O-N 3.09Å | ||
| 1225 | V | 77.3 | Confident | 80.4 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -70.8 | -35.8 | -176.8 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | M1289 A1316 V1447 V1457 | V1225-M1289 HydrophobicContact CG1-CB 4.35Å; V1225-M1289 HydrophobicContact CG1-CE 4.41Å; V1225-M1289 HydrophobicContact CG1-CG 3.9Å; V1225-M1289 HydrophobicContact CG1-SD 3.62Å; V1225-M1289 VanDerWaalsContact O-CA 3.29Å; V1225-M1289 WeakPolarHBondContact O-CA 3.21Å; V1225-M1289 WeakPolarHBondContact O-CB 3.38Å; V1225-A1316 HydrophobicContact CB-CB 4.35Å; V1225-A1316 HydrophobicContact CG2-CB 4.18Å; V1225-V1447 HydrophobicContact CG2-CG1 4.07Å; V1225-V1447 HydrophobicContact CG2-CG2 3.73Å; V1225-V1457 HydrophobicContact CB-CG2 4.43Å; V1225-V1457 HydrophobicContact CG1-CG2 4.04Å; V1225-V1457 HydrophobicContact CG2-CG2 3.6Å |
| 1226 | N | 78.3 | Confident | 80.1 | Confident | 77 Ų | 77 | 36.5 Ų | 36.5 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -140.9 | 19.6 | -175.6 | 65.1 | -15 | 0 | 0 | 0 | 112.6 | S1285 G1286 L1287 | N1226-S1285 CarbonylContact O-C 3.57Å; N1226-G1286 PolarHBondContact O-N 3.39Å; N1226-L1287 WeakPolarHBondContact CA-O 3.3Å; N1226-L1287 WeakPolarHBondContact CB-O 3Å; N1226-L1287 PolarHBondContact O-N 3.26Å |
| 1227 | H | 83.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 163.5 | -172.5 | 61 | -94.3 | 0 | 0 | 0 | 112 | F1222 G1224 E1229 R1283 I1284 E1421 | F1222-H1227 AromaticContact CD1-NE2 3.76Å; F1222-H1227 AromaticContact CE1-NE2 3.47Å; F1222-H1227 WeakPolarHBondContact CE1-NE2 3.16Å; G1224-H1227 WeakPolarHBondContact CA-O 3.25Å; G1224-H1227 PolarHBondContact N-O 2.73Å; H1227-E1229 IonicContact CD2-OE1 3.95Å; H1227-R1283 PolarHBondContact CD2-NE 3.1Å; H1227-R1283 PolarHBondContact CD2-NH2 2.67Å; H1227-R1283 PolarHBondContact CE1-NH2 2.68Å; H1227-R1283 PolarHBondContact ND1-NH2 2.92Å; H1227-R1283 PolarHBondContact NE2-NH2 3.43Å; H1227-I1284 CarbonylContact C-O 3.6Å; H1227-I1284 WeakPolarHBondContact CA-O 3.18Å; H1227-I1284 WeakPolarHBondContact CB-O 2.95Å; H1227-E1421 IonicContact CE1-OE1 2.73Å |
| 1228 | I | 83.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 161.2 | 166.8 | 61.2 | 167.8 | 0 | 0 | 0 | 110.8 | I1220 F1222 I1223 V1230 R1283 I1284 L1287 F1313 | I1220-I1228 HydrophobicContact CD1-CD1 4.19Å; I1220-I1228 HydrophobicContact CG1-CD1 4.47Å; F1222-I1228 CarbonylContact O-C 2.92Å; F1222-I1228 VanDerWaalsContact O-CA 3.24Å; F1222-I1228 WeakPolarHBondContact O-CA 3.18Å; F1222-I1228 WeakPolarHBondContact O-CB 3.38Å; I1223-I1228 HydrophobicContact CG1-CG2 4.27Å; I1228-V1230 HydrophobicContact CD1-CG2 3.48Å; I1228-V1230 VanDerWaalsContact CD1-CG2 3.48Å; I1228-V1230 HydrophobicContact CG1-CG2 3.95Å; I1228-R1283 CarbonylContact O-C 3.51Å; I1228-R1283 VanDerWaalsContact O-CA 3.26Å; I1228-R1283 WeakPolarHBondContact O-CA 3.22Å; I1228-R1283 WeakPolarHBondContact O-CG 3.49Å; I1228-I1284 HydrophobicContact CG1-CB 4.11Å; I1228-I1284 PolarHBondContact N-O 3.35Å; I1228-I1284 PolarHBondContact O-N 2.02Å; I1228-L1287 HydrophobicContact CG1-CD1 4.08Å; I1228-L1287 HydrophobicContact CG2-CD1 4.21Å; I1228-F1313 HydrophobicContact CD1-CD1 4.08Å; I1228-F1313 HydrophobicContact CD1-CD2 4.39Å; I1228-F1313 HydrophobicContact CD1-CE1 3.59Å; I1228-F1313 HydrophobicContact CD1-CE2 3.93Å; I1228-F1313 HydrophobicContact CD1-CG 4.46Å; I1228-F1313 HydrophobicContact CD1-CZ 3.5Å; I1228-F1313 HydrophobicContact CG1-CE2 4.4Å; I1228-F1313 HydrophobicContact CG1-CZ 4.27Å; I1228-F1313 HydrophobicContact CG2-CD2 3.59Å; I1228-F1313 HydrophobicContact CG2-CE2 3.45Å; I1228-F1313 VanDerWaalsContact CG2-CE2 3.45Å; I1228-F1313 HydrophobicContact CG2-CG 4.39Å; I1228-F1313 HydrophobicContact CG2-CZ 4.15Å |
| 1229 | E | 84.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.1 | 158.5 | -74.6 | 111.4 | -114.9 | 0 | 0 | 111.3 | F3 C7 I1220 T1221 F1222 H1227 T1282 R1283 | F3-E1229 VanDerWaalsContact CB-CD 3.46Å; F3-E1229 HydrophobicContact CB-CG 4.05Å; F3-E1229 WeakPolarHBondContact CB-OE2 3.43Å; F3-E1229 VanDerWaalsContact CD1-CD 3.44Å; F3-E1229 WeakPolarHBondContact CD1-OE1 3.49Å; F3-E1229 VanDerWaalsContact CD1-OE2 3.31Å; F3-E1229 WeakPolarHBondContact CD1-OE2 3.38Å; F3-E1229 WeakPolarHBondContact CG-OE1 3.33Å; C7-E1229 PolarHBondContact SG-OE2 3.26Å; I1220-E1229 CarbonylContact C-O 3.58Å; I1220-E1229 WeakPolarHBondContact CA-O 2.92Å; I1220-E1229 WeakPolarHBondContact CG2-O 3Å; T1221-E1229 PolarHBondContact N-O 3.18Å; T1221-E1229 VanDerWaalsContact OG1-CB 3.28Å; T1221-E1229 WeakPolarHBondContact OG1-CB 3.24Å; T1221-E1229 PolarHBondContact OG1-O 3.07Å; F1222-E1229 HydrophobicContact CB-CB 4.06Å; F1222-E1229 VanDerWaalsContact CB-CD 3.46Å; F1222-E1229 HydrophobicContact CB-CG 4.39Å; F1222-E1229 WeakPolarHBondContact CB-OE2 3.21Å; F1222-E1229 WeakPolarHBondContact CD1-OE1 3.36Å; F1222-E1229 PolarHBondContact N-O 2.87Å; F1222-E1229 PolarHBondContact O-N 3.04Å; H1227-E1229 IonicContact CD2-OE1 3.95Å; E1229-T1282 WeakPolarHBondContact CA-O 3.39Å; E1229-R1283 HydrophobicContact CG-CB 3.99Å; E1229-R1283 HydrophobicContact CG-CG 4.02Å; E1229-R1283 IonicContact OE1-NE 3.28Å |
| 1230 | V | 85.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.1 | -176.7 | -165.8 | 0 | 0 | 0 | 0 | 109 | L1218 T1219 I1220 I1228 W1232 A1281 T1282 I1284 L1295 | L1218-V1230 HydrophobicContact CD1-CG1 3.5Å; T1219-V1230 CarbonylContact O-C 2.8Å; T1219-V1230 WeakPolarHBondContact O-CA 3.36Å; T1219-V1230 WeakPolarHBondContact O-CG1 3.13Å; I1220-V1230 HydrophobicContact CG1-CG2 4.48Å; I1228-V1230 HydrophobicContact CD1-CG2 3.48Å; I1228-V1230 VanDerWaalsContact CD1-CG2 3.48Å; I1228-V1230 HydrophobicContact CG1-CG2 3.95Å; V1230-W1232 HydrophobicContact CB-CE3 4.45Å; V1230-W1232 HydrophobicContact CB-CZ3 4.16Å; V1230-W1232 HydrophobicContact CG1-CE3 4Å; V1230-W1232 HydrophobicContact CG1-CZ3 4.13Å; V1230-A1281 CarbonylContact O-C 2.79Å; V1230-A1281 WeakPolarHBondContact O-CA 3.21Å; V1230-A1281 VanDerWaalsContact O-CB 3.3Å; V1230-A1281 WeakPolarHBondContact O-CB 3.25Å; V1230-T1282 PolarHBondContact N-O 3.27Å; V1230-T1282 PolarHBondContact O-N 3.14Å; V1230-I1284 HydrophobicContact CG2-CD1 4.1Å; V1230-L1295 HydrophobicContact CB-CD2 4.27Å; V1230-L1295 HydrophobicContact CG1-CD2 3.7Å; V1230-L1295 HydrophobicContact CG2-CD2 3.63Å |
| 1231 | S | 85.2 | Confident | 80.2 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.7 | 171.3 | 42.4 | 0 | 0 | 0 | 0 | 110.5 | T1219 T1221 C1280 | T1219-S1231 PolarHBondContact N-O 3.04Å; T1219-S1231 PolarHBondContact O-N 2.98Å; T1219-S1231 PolarHBondContact OG1-O 2.86Å; T1219-S1231 VanDerWaalsContact OG1-O 3.11Å; T1219-S1231 PolarHBondContact OG1-OG 3Å; T1221-S1231 VanDerWaalsContact CG2-OG 3.26Å; T1221-S1231 WeakPolarHBondContact CG2-OG 3.2Å; S1231-C1280 WeakPolarHBondContact CA-O 3.2Å |
| 1232 | W | 88.6 | Confident | 80.5 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.038 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 176.3 | 178.3 | 56.1 | 93.5 | 0 | 0 | 0 | 110.5 | V1215 L1218 V1230 Y1245 L1247 I1274 Q1279 C1280 T1282 I1297 | V1215-W1232 HydrophobicContact CG1-CB 3.59Å; V1215-W1232 VanDerWaalsContact CG1-CD1 3.47Å; V1215-W1232 HydrophobicContact CG1-CG 3.78Å; L1218-W1232 HydrophobicContact CD1-CB 4.18Å; L1218-W1232 HydrophobicContact CD1-CE3 4.35Å; V1230-W1232 HydrophobicContact CB-CE3 4.45Å; V1230-W1232 HydrophobicContact CB-CZ3 4.16Å; V1230-W1232 HydrophobicContact CG1-CE3 4Å; V1230-W1232 HydrophobicContact CG1-CZ3 4.13Å; W1232-Y1245 AromaticContact CD1-CE1 3.92Å; W1232-Y1245 HydrophobicContact CZ2-CD2 4.09Å; W1232-Y1245 HydrophobicContact CZ2-CG 4.26Å; W1232-Y1245 AromaticContact NE1-CD1 3.64Å; W1232-Y1245 AromaticContact NE1-CD2 3.65Å; W1232-Y1245 AromaticContact NE1-CE1 3.53Å; W1232-Y1245 AromaticContact NE1-CE2 3.55Å; W1232-Y1245 AromaticContact NE1-CG 3.7Å; W1232-Y1245 AromaticContact NE1-CZ 3.5Å; W1232-L1247 HydrophobicContact CH2-CD1 4.13Å; W1232-L1247 HydrophobicContact CH2-CD2 3.91Å; W1232-L1247 HydrophobicContact CZ2-CD1 4.27Å; W1232-L1247 HydrophobicContact CZ3-CD2 3.92Å; W1232-I1274 HydrophobicContact CH2-CG1 4.4Å; W1232-Q1279 WeakPolarHBondContact CZ2-O 3.31Å; W1232-C1280 PolarHBondContact N-O 3.02Å; W1232-C1280 WeakPolarHBondContact O-CB 3.41Å; W1232-T1282 HydrophobicContact CH2-CG2 3.89Å; W1232-T1282 HydrophobicContact CZ3-CG2 4Å; W1232-I1297 HydrophobicContact CD2-CD1 3.43Å; W1232-I1297 VanDerWaalsContact CD2-CD1 3.43Å; W1232-I1297 HydrophobicContact CE3-CD1 3.88Å; W1232-I1297 HydrophobicContact CG-CD1 3.77Å; W1232-I1297 HydrophobicContact CH2-CD1 4.23Å; W1232-I1297 HydrophobicContact CZ2-CD1 3.8Å; W1232-I1297 HydrophobicContact CZ3-CD1 4.26Å |
| 1233 | I | 83.1 | Confident | 81.3 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.2 | 174.4 | -62.8 | 179.2 | 0 | 0 | 0 | 109.3 | V1215 S1216 E1217 | V1215-I1233 WeakPolarHBondContact CG1-O 3.17Å; S1216-I1233 PolarHBondContact N-O 2.89Å; S1216-I1233 PolarHBondContact O-N 3.02Å; S1216-I1233 WeakPolarHBondContact OG-CB 3.45Å; S1216-I1233 WeakPolarHBondContact OG-CG2 2.99Å; E1217-I1233 HydrophobicContact CB-CD1 3.83Å; E1217-I1233 HydrophobicContact CB-CG1 4.08Å; E1217-I1233 HydrophobicContact CG-CD1 3.98Å |
| 1234 | K | 82.1 | Confident | 81.9 | Confident | 54 Ų | 54 | 37 Ų | 37 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | trans | -55 | 133.1 | 177.5 | -172.4 | 173.9 | -164.7 | -176.2 | 0 | 110.2 | L1238 L1242 Y1245 E1278 | K1234-L1238 HydrophobicContact CG-CD2 4.36Å; K1234-L1242 HydrophobicContact CD-CD2 4.49Å; K1234-L1242 HydrophobicContact CG-CD2 4.11Å; K1234-Y1245 WeakPolarHBondContact CG-OH 3.44Å; K1234-E1278 IonicContact NZ-OE1 2.72Å; K1234-E1278 PolarHBondContact NZ-OE1 2.71Å; K1234-E1278 IonicContact NZ-OE2 2.86Å; K1234-E1278 PolarHBondContact NZ-OE2 3.02Å | ||
| 1235 | P | 79.5 | Confident | 82.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | trans | -57.6 | 142.2 | -179.4 | -18.7 | 27.1 | 0 | 0 | 0 | 111.6 | E1213 V1215 L1238 A1299 | E1213-P1235 HydrophobicContact CB-CB 4.16Å; E1213-P1235 WeakPolarHBondContact O-CB 3.32Å; E1213-P1235 WeakPolarHBondContact O-CG 3Å; V1215-P1235 HydrophobicContact CG2-CG 4.25Å; P1235-L1238 HydrophobicContact CB-CD2 4.3Å; P1235-L1238 HydrophobicContact CG-CD2 4.5Å; P1235-L1238 WeakPolarHBondContact O-CD2 3.34Å; P1235-A1299 HydrophobicContact CG-CB 3.55Å | ||
| 1236 | M | 76.4 | Confident | 83.6 | Confident | 128 Ų | 128 | 36.8 Ų | 36.8 | 63% | 0.631 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -72.7 | -37.7 | 179.7 | -65.6 | -168.3 | -173.7 | 0 | 0 | 111.3 | P1582 | M1236-P1582 HydrophobicContact CE-CB 3.7Å; M1236-P1582 HydrophobicContact CE-CG 3.56Å; M1236-P1582 HydrophobicContact SD-CB 4.35Å; M1236-P1582 HydrophobicContact SD-CG 3.7Å |
| 1237 | I | 76.1 | Confident | 84.3 | Confident | 84 Ų | 84 | 33.2 Ų | 33.2 | 43% | 0.431 | 17% | 0.171 | S | C | . | . | trans | -103.1 | 100.8 | 175.6 | -53.3 | 176.7 | 0 | 0 | 0 | 109.8 | E1213 N1239 | E1213-I1237 HydrophobicContact CB-CB 4.12Å; E1213-I1237 WeakPolarHBondContact CB-O 3.48Å; E1213-I1237 PolarHBondContact N-O 3.19Å; E1213-I1237 PolarHBondContact OE2-N 3.05Å; I1237-N1239 VanDerWaalsContact CG2-OD1 3.24Å; I1237-N1239 WeakPolarHBondContact CG2-OD1 3.23Å | ||
| 1238 | L | 78.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 34.1 Ų | 34.1 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | trans | -78.3 | -25.1 | 178 | -58.4 | -177.6 | 0 | 0 | 0 | 113.6 | P1212 K1234 P1235 G1240 L1242 T1301 | P1212-L1238 WeakPolarHBondContact CA-O 2.9Å; K1234-L1238 HydrophobicContact CG-CD2 4.36Å; P1235-L1238 HydrophobicContact CB-CD2 4.3Å; P1235-L1238 HydrophobicContact CG-CD2 4.5Å; P1235-L1238 WeakPolarHBondContact O-CD2 3.34Å; L1238-G1240 WeakPolarHBondContact CB-O 2.87Å; L1238-G1240 PolarHBondContact O-N 2.77Å; L1238-L1242 HydrophobicContact CD1-CB 4.24Å; L1238-L1242 HydrophobicContact CD2-CB 4.2Å; L1238-L1242 HydrophobicContact CD2-CD1 4.48Å; L1238-L1242 HydrophobicContact CD2-CD2 4.09Å; L1238-T1301 WeakPolarHBondContact O-CG2 3.33Å | ||
| 1239 | N | 77.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 53.3 | 11.3 | -172.8 | -69.9 | -40.5 | 0 | 0 | 0 | 116.3 | G1180 G1210 V1211 I1237 | G1180-N1239 CarbonylContact C-O 3.47Å; G1180-N1239 WeakPolarHBondContact CA-O 3.18Å; G1180-N1239 PolarHBondContact N-OD1 3.41Å; G1180-N1239 VanDerWaalsContact N-OD1 3.1Å; G1210-N1239 PolarHBondContact N-O 2.69Å; V1211-N1239 WeakPolarHBondContact O-CB 3.24Å; V1211-N1239 PolarHBondContact O-ND2 2.77Å; I1237-N1239 VanDerWaalsContact CG2-OD1 3.24Å; I1237-N1239 WeakPolarHBondContact CG2-OD1 3.23Å |
| 1240 | G | 82.2 | Confident | 84.9 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 168.1 | -161.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1209 L1238 | E1209-G1240 VanDerWaalsContact CG-CA 3.49Å; L1238-G1240 WeakPolarHBondContact CB-O 2.87Å; L1238-G1240 PolarHBondContact O-N 2.77Å |
| 1241 | E | 83.6 | Confident | 84.6 | Confident | 126 Ų | 126 | 36.5 Ų | 36.5 | 59% | 0.589 | 19% | 0.187 | S | C | * | . | trans | -88.9 | 116.6 | 177 | -165.8 | 166.9 | 167.4 | 0 | 0 | 108.8 | K1181 I1243 T1301 | K1181-E1241 IonicContact NZ-OE2 3.26Å; K1181-E1241 PolarHBondContact NZ-OE2 3.05Å; E1241-I1243 PolarHBondContact O-N 2.86Å; E1241-T1301 WeakPolarHBondContact O-CA 3.17Å; E1241-T1301 WeakPolarHBondContact O-CG2 3.47Å | ||
| 1242 | L | 85.1 | Confident | 83.8 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | trans | -72.2 | 117.5 | 179 | -174.8 | 69.2 | 0 | 0 | 0 | 108.8 | P1212 K1234 L1238 Y1245 P1277 A1299 | P1212-L1242 HydrophobicContact CG-CD1 4.05Å; K1234-L1242 HydrophobicContact CD-CD2 4.49Å; K1234-L1242 HydrophobicContact CG-CD2 4.11Å; L1238-L1242 HydrophobicContact CD1-CB 4.24Å; L1238-L1242 HydrophobicContact CD2-CB 4.2Å; L1238-L1242 HydrophobicContact CD2-CD1 4.48Å; L1238-L1242 HydrophobicContact CD2-CD2 4.09Å; L1242-Y1245 HydrophobicContact CD2-CE1 4.33Å; L1242-Y1245 HydrophobicContact CD2-CE2 4.4Å; L1242-P1277 HydrophobicContact CB-CB 4.06Å; L1242-P1277 HydrophobicContact CD2-CB 3.82Å; L1242-P1277 WeakPolarHBondContact CD2-O 3.36Å; L1242-P1277 HydrophobicContact CG-CB 3.69Å; L1242-P1277 WeakPolarHBondContact O-CB 3.24Å; L1242-P1277 WeakPolarHBondContact O-CG 3.07Å; L1242-A1299 HydrophobicContact CD1-CB 3.71Å | ||
| 1243 | I | 88 | Confident | 82.3 | Confident | 85 Ų | 85 | 41.8 Ų | 41.8 | 44% | 0.436 | 21% | 0.214 | S | C | . | . | trans | -95.5 | -42.7 | -175.9 | -60 | -177.4 | 0 | 0 | 0 | 111.1 | E1241 K1300 | E1241-I1243 PolarHBondContact O-N 2.86Å; I1243-K1300 PolarHBondContact N-O 2.84Å | ||
| 1244 | S | 89.7 | Confident | 80.7 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 168.9 | -177.8 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | D1246 I1274 K1300 | S1244-D1246 PolarHBondContact OG-OD1 3.26Å; S1244-I1274 VanDerWaalsContact CA-O 3.29Å; S1244-I1274 WeakPolarHBondContact CA-O 2.99Å; S1244-I1274 WeakPolarHBondContact CB-O 3.4Å; S1244-K1300 WeakPolarHBondContact O-CB 3.18Å; S1244-K1300 PolarHBondContact O-N 2.88Å; S1244-K1300 WeakPolarHBondContact OG-CD 3.46Å |
| 1245 | Y | 93 | Very high | 78.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.8 | 154.3 | -55.5 | -85.9 | 0 | 0 | 0 | 109.4 | V1215 W1232 K1234 L1242 T1273 I1274 P1277 I1297 W1298 A1299 | V1215-Y1245 HydrophobicContact CG2-CD1 4.12Å; V1215-Y1245 HydrophobicContact CG2-CE1 4.18Å; W1232-Y1245 AromaticContact CD1-CE1 3.92Å; W1232-Y1245 HydrophobicContact CZ2-CD2 4.09Å; W1232-Y1245 HydrophobicContact CZ2-CG 4.26Å; W1232-Y1245 AromaticContact NE1-CD1 3.64Å; W1232-Y1245 AromaticContact NE1-CD2 3.65Å; W1232-Y1245 AromaticContact NE1-CE1 3.53Å; W1232-Y1245 AromaticContact NE1-CE2 3.55Å; W1232-Y1245 AromaticContact NE1-CG 3.7Å; W1232-Y1245 AromaticContact NE1-CZ 3.5Å; K1234-Y1245 WeakPolarHBondContact CG-OH 3.44Å; L1242-Y1245 HydrophobicContact CD2-CE1 4.33Å; L1242-Y1245 HydrophobicContact CD2-CE2 4.4Å; Y1245-T1273 CarbonylContact O-C 3.16Å; Y1245-T1273 WeakPolarHBondContact O-CA 3.34Å; Y1245-I1274 HydrophobicContact CD2-CG2 4.42Å; Y1245-I1274 PolarHBondContact N-O 2.66Å; Y1245-I1274 PolarHBondContact O-N 3.48Å; Y1245-P1277 VanDerWaalsContact CE2-O 3.26Å; Y1245-P1277 WeakPolarHBondContact CE2-O 3.3Å; Y1245-P1277 PolarHBondContact OH-O 3.34Å; Y1245-I1297 HydrophobicContact CD1-CD1 4.02Å; Y1245-I1297 HydrophobicContact CD1-CG1 4.31Å; Y1245-I1297 HydrophobicContact CG-CD1 4.18Å; Y1245-W1298 CarbonylContact C-O 2.99Å; Y1245-W1298 VanDerWaalsContact CA-O 3.25Å; Y1245-W1298 WeakPolarHBondContact CA-O 3.07Å; Y1245-A1299 HydrophobicContact CD1-CB 4.18Å; Y1245-A1299 HydrophobicContact CE1-CB 4.18Å |
| 1246 | D | 92.1 | Very high | 76.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.4 | 166.4 | -71 | -8.6 | 0 | 0 | 0 | 107.9 | S1244 T1273 I1297 W1298 K1300 R1305 | S1244-D1246 PolarHBondContact OG-OD1 3.26Å; D1246-T1273 WeakPolarHBondContact OD1-CG2 3.05Å; D1246-T1273 PolarHBondContact OD1-OG1 3.5Å; D1246-I1297 CarbonylContact O-C 3.57Å; D1246-I1297 WeakPolarHBondContact O-CA 2.93Å; D1246-W1298 PolarHBondContact N-O 3.05Å; D1246-W1298 PolarHBondContact O-N 3.19Å; D1246-K1300 IonicContact OD1-NZ 3.67Å; D1246-K1300 PolarHBondContact OD1-NZ 2.61Å; D1246-K1300 VanDerWaalsContact OD1-NZ 3.13Å; D1246-K1300 WeakPolarHBondContact OD2-CE 2.88Å; D1246-K1300 IonicContact OD2-NZ 3.61Å; D1246-K1300 PolarHBondContact OD2-NZ 3.12Å; D1246-R1305 IonicContact OD2-CZ 3.06Å; D1246-R1305 IonicContact OD2-NE 3.42Å; D1246-R1305 PolarHBondContact OD2-NE 2.76Å; D1246-R1305 IonicContact OD2-NH2 2.66Å; D1246-R1305 PolarHBondContact OD2-NH2 2.72Å; D1246-R1305 VanDerWaalsContact OD2-NH2 3.1Å |
| 1247 | L | 92.8 | Very high | 74.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.3 | 174.3 | -77.6 | 75.4 | 0 | 0 | 0 | 109.5 | W1232 S1271 I1272 I1274 T1282 I1284 L1295 Y1296 I1297 | W1232-L1247 HydrophobicContact CH2-CD1 4.13Å; W1232-L1247 HydrophobicContact CH2-CD2 3.91Å; W1232-L1247 HydrophobicContact CZ2-CD1 4.27Å; W1232-L1247 HydrophobicContact CZ3-CD2 3.92Å; L1247-S1271 CarbonylContact O-C 3.23Å; L1247-S1271 WeakPolarHBondContact O-CA 3.34Å; L1247-I1272 HydrophobicContact CB-CB 4.39Å; L1247-I1272 PolarHBondContact N-O 3.08Å; L1247-I1272 PolarHBondContact O-N 3.32Å; L1247-I1274 HydrophobicContact CD1-CG1 3.74Å; L1247-T1282 HydrophobicContact CD2-CG2 4.01Å; L1247-I1284 HydrophobicContact CD2-CD1 3.99Å; L1247-L1295 HydrophobicContact CB-CD1 3.98Å; L1247-L1295 HydrophobicContact CD2-CD1 4.16Å; L1247-L1295 HydrophobicContact CG-CD1 4.3Å; L1247-Y1296 CarbonylContact C-O 3.17Å; L1247-Y1296 VanDerWaalsContact CA-O 3.32Å; L1247-Y1296 WeakPolarHBondContact CA-O 3.25Å; L1247-I1297 HydrophobicContact CD1-CD1 3.62Å; L1247-I1297 HydrophobicContact CD1-CG1 3.68Å; L1247-I1297 HydrophobicContact CD2-CD1 4.38Å; L1247-I1297 HydrophobicContact CG-CB 4.15Å; L1247-I1297 HydrophobicContact CG-CD1 3.89Å; L1247-I1297 HydrophobicContact CG-CG1 3.8Å |
| 1248 | E | 91.8 | Very high | 72.4 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 114 | 179.1 | -58 | -172.1 | 146.7 | 0 | 0 | 110.5 | Y1250 L1268 S1271 Y1296 W1298 R1305 | E1248-Y1250 HydrophobicContact CB-CD2 4.34Å; E1248-Y1250 HydrophobicContact CB-CE2 3.56Å; E1248-Y1250 PolarHBondContact OE2-OH 2.96Å; E1248-L1268 HydrophobicContact CB-CD1 3.74Å; E1248-L1268 HydrophobicContact CG-CD1 4.27Å; E1248-S1271 WeakPolarHBondContact CG-OG 2.96Å; E1248-S1271 PolarHBondContact OE1-OG 3.26Å; E1248-Y1296 PolarHBondContact N-O 2.92Å; E1248-Y1296 PolarHBondContact O-N 2.79Å; E1248-W1298 HydrophobicContact CB-CH2 4.23Å; E1248-W1298 HydrophobicContact CB-CZ3 3.72Å; E1248-W1298 HydrophobicContact CG-CE3 4.44Å; E1248-W1298 HydrophobicContact CG-CH2 4.34Å; E1248-W1298 HydrophobicContact CG-CZ3 3.64Å; E1248-W1298 VanDerWaalsContact OE2-CH2 3.29Å; E1248-W1298 WeakPolarHBondContact OE2-CH2 3.38Å; E1248-W1298 WeakPolarHBondContact OE2-CZ3 2.69Å; E1248-R1305 IonicContact OE1-CZ 2.79Å; E1248-R1305 IonicContact OE1-NH1 3.74Å; E1248-R1305 PolarHBondContact OE1-NH1 2.88Å; E1248-R1305 IonicContact OE1-NH2 2.73Å; E1248-R1305 PolarHBondContact OE1-NH2 3.19Å; E1248-R1305 IonicContact OE2-CZ 3.13Å; E1248-R1305 IonicContact OE2-NH1 3.36Å; E1248-R1305 PolarHBondContact OE2-NH1 3.26Å; E1248-R1305 IonicContact OE2-NH2 2.69Å |
| 1249 | I | 88.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125 | 172.9 | -64.1 | -174.4 | 0 | 0 | 0 | 108.9 | I1269 T1270 I1284 L1287 Y1293 L1295 F1313 | I1249-I1269 HydrophobicContact CG2-CB 4.31Å; I1249-I1269 WeakPolarHBondContact O-CB 3.03Å; I1249-I1269 PolarHBondContact O-N 2.72Å; I1249-T1270 HydrophobicContact CB-CG2 3.97Å; I1249-T1270 HydrophobicContact CD1-CG2 4.16Å; I1249-T1270 HydrophobicContact CG1-CG2 4.22Å; I1249-T1270 PolarHBondContact N-O 2.69Å; I1249-T1270 PolarHBondContact O-N 2.97Å; I1249-I1284 HydrophobicContact CD1-CB 4.08Å; I1249-I1284 HydrophobicContact CD1-CD1 3.73Å; I1249-I1284 HydrophobicContact CD1-CG1 4.48Å; I1249-I1284 HydrophobicContact CD1-CG2 3.47Å; I1249-I1284 VanDerWaalsContact CD1-CG2 3.47Å; I1249-I1284 HydrophobicContact CG1-CD1 4.28Å; I1249-L1287 HydrophobicContact CD1-CD1 4.37Å; I1249-L1287 HydrophobicContact CD1-CD2 3.98Å; I1249-L1287 HydrophobicContact CG2-CD2 4.36Å; I1249-Y1293 HydrophobicContact CG2-CD1 3.5Å; I1249-Y1293 VanDerWaalsContact CG2-CD1 3.5Å; I1249-Y1293 HydrophobicContact CG2-CE1 4.22Å; I1249-Y1293 HydrophobicContact CG2-CG 4.01Å; I1249-L1295 HydrophobicContact CD1-CD1 4.49Å; I1249-L1295 HydrophobicContact CG1-CB 4.19Å; I1249-L1295 HydrophobicContact CG1-CD1 3.62Å; I1249-L1295 HydrophobicContact CG1-CG 4.43Å; I1249-F1313 HydrophobicContact CD1-CZ 4.22Å |
| 1250 | Y | 84.8 | Confident | 68.4 | Low | 24 Ų | 24 | 67.3 Ų | 67.3 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145 | 172.1 | -68.1 | -88.5 | 0 | 0 | 0 | 111.3 | E1248 N1252 L1263 S1266 Q1267 L1268 Y1293 L1294 Y1296 | E1248-Y1250 HydrophobicContact CB-CD2 4.34Å; E1248-Y1250 HydrophobicContact CB-CE2 3.56Å; E1248-Y1250 PolarHBondContact OE2-OH 2.96Å; Y1250-N1252 PolarHBondContact O-N 2.77Å; Y1250-L1263 HydrophobicContact CD1-CD2 4.44Å; Y1250-L1263 HydrophobicContact CD2-CD2 3.91Å; Y1250-L1263 HydrophobicContact CE1-CD2 4.01Å; Y1250-L1263 HydrophobicContact CE2-CD2 3.4Å; Y1250-L1263 VanDerWaalsContact CE2-CD2 3.4Å; Y1250-L1263 HydrophobicContact CG-CD2 4.39Å; Y1250-L1263 VanDerWaalsContact CZ-CD2 3.46Å; Y1250-S1266 VanDerWaalsContact CD1-O 3.27Å; Y1250-S1266 WeakPolarHBondContact CD1-O 3.2Å; Y1250-S1266 VanDerWaalsContact CD1-OG 3.28Å; Y1250-S1266 WeakPolarHBondContact CD1-OG 3.3Å; Y1250-Q1267 CarbonylContact C-O 3.51Å; Y1250-Q1267 VanDerWaalsContact CA-O 3.29Å; Y1250-Q1267 WeakPolarHBondContact CA-O 2.96Å; Y1250-L1268 HydrophobicContact CD1-CB 4.17Å; Y1250-L1268 HydrophobicContact CD1-CD1 4.47Å; Y1250-L1268 HydrophobicContact CE1-CB 3.79Å; Y1250-L1268 HydrophobicContact CE1-CD1 4.01Å; Y1250-L1268 HydrophobicContact CE2-CD1 4.15Å; Y1250-Y1293 CarbonylContact O-C 3.55Å; Y1250-Y1293 VanDerWaalsContact O-CA 3.29Å; Y1250-Y1293 WeakPolarHBondContact O-CA 3.28Å; Y1250-L1294 PolarHBondContact N-O 2.99Å; Y1250-L1294 PolarHBondContact O-N 3.46Å; Y1250-Y1296 AromaticContact CD2-CD2 3.76Å; Y1250-Y1296 HydrophobicContact CD2-CD2 3.76Å; Y1250-Y1296 HydrophobicContact CD2-CE2 4.13Å; Y1250-Y1296 AromaticContact CE2-CD2 3.94Å; Y1250-Y1296 HydrophobicContact CE2-CD2 3.94Å; Y1250-Y1296 HydrophobicContact CE2-CE2 4.44Å |
| 1251 | L | 78.3 | Confident | 66.2 | Low | 26 Ų | 26 | 71.1 Ų | 71.1 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 112.7 | 168.1 | -163.4 | 68.3 | 0 | 0 | 0 | 108.4 | N1253 Q1267 I1269 T1291 Y1293 | L1251-N1253 VanDerWaalsContact CD2-OD1 3.22Å; L1251-N1253 WeakPolarHBondContact CD2-OD1 3.37Å; L1251-N1253 WeakPolarHBondContact CG-OD1 3.24Å; L1251-N1253 PolarHBondContact O-N 2.79Å; L1251-Q1267 HydrophobicContact CB-CB 4.22Å; L1251-Q1267 PolarHBondContact N-O 3.19Å; L1251-I1269 HydrophobicContact CB-CD1 4.01Å; L1251-I1269 HydrophobicContact CB-CG1 3.73Å; L1251-I1269 HydrophobicContact CD1-CD1 4.04Å; L1251-I1269 HydrophobicContact CD1-CG1 4.27Å; L1251-I1269 HydrophobicContact CD2-CD1 4.48Å; L1251-I1269 HydrophobicContact CG-CD1 4.42Å; L1251-T1291 HydrophobicContact CD1-CG2 3.41Å; L1251-T1291 VanDerWaalsContact CD1-CG2 3.41Å; L1251-Y1293 HydrophobicContact CD1-CD1 4.25Å; L1251-Y1293 HydrophobicContact CD1-CE1 3.77Å |
| 1252 | N | 67.7 | Low | 64.3 | Low | 42 Ų | 42 | 68.2 Ų | 68.2 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | trans | -86.9 | 92.5 | 177.6 | -171.9 | -9 | 0 | 0 | 0 | 109.1 | Y1250 F1254 Y1292 L1294 N1312 | Y1250-N1252 PolarHBondContact O-N 2.77Å; N1252-F1254 PolarHBondContact O-N 3.14Å; N1252-F1254 PolarHBondContact OD1-N 2.86Å; N1252-F1254 PolarHBondContact OD1-O 3Å; N1252-Y1292 PolarHBondContact N-O 3.24Å; N1252-Y1292 WeakPolarHBondContact O-CB 3.35Å; N1252-L1294 HydrophobicContact CB-CB 4.2Å; N1252-N1312 PolarHBondContact ND2-OD1 3.27Å | ||
| 1253 | N | 58.3 | Low | 62.4 | Low | 101 Ų | 101 | 70.6 Ų | 70.6 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | trans | -77.2 | -0.2 | -177.7 | -74.9 | -23.2 | 0 | 0 | 0 | 114.2 | L1251 | L1251-N1253 VanDerWaalsContact CD2-OD1 3.22Å; L1251-N1253 WeakPolarHBondContact CD2-OD1 3.37Å; L1251-N1253 WeakPolarHBondContact CG-OD1 3.24Å; L1251-N1253 PolarHBondContact O-N 2.79Å | ||
| 1254 | F | 48.2 | Very low | 60.5 | Low | 121 Ų | 121 | 74.3 Ų | 74.3 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | trans | -116.4 | 117.5 | -170.9 | -71.5 | -80.1 | 0 | 0 | 0 | 113.2 | N1252 N1256 F1261 | N1252-F1254 PolarHBondContact O-N 3.14Å; N1252-F1254 PolarHBondContact OD1-N 2.86Å; N1252-F1254 PolarHBondContact OD1-O 3Å; F1254-N1256 PolarHBondContact O-N 2.87Å; F1254-F1261 HydrophobicContact CB-CZ 4.48Å; F1254-F1261 HydrophobicContact CD2-CE1 4.38Å | ||
| 1255 | I | 44.1 | Very low | 58.5 | Low | 127 Ų | 127 | 81.2 Ų | 81.2 | 65% | 0.651 | 42% | 0.417 | S | S | * | . | trans | -98.1 | 72.3 | 174.9 | -50.9 | 174.9 | 0 | 0 | 0 | 108.5 | Y1292 | I1255-Y1292 HydrophobicContact CD1-CE2 4.14Å; I1255-Y1292 HydrophobicContact CG1-CE2 4.28Å | ||
| 1256 | N | 34.5 | Very low | 56.8 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -174.8 | 149.6 | 157.5 | -101 | -19.8 | 0 | 0 | 0 | 114.6 | F1254 | F1254-N1256 PolarHBondContact O-N 2.87Š|
| 1257 | T | 30.9 | Very low | 55.8 | Low | 101 Ų | 101 | 88.4 Ų | 88.4 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | trans | 30.1 | 112.2 | 151.9 | 56.8 | 0 | 0 | 0 | 0 | 121.3 | E1259 | T1257-E1259 PolarHBondContact O-N 3.3Å; T1257-E1259 VanDerWaalsContact O-N 3.08Å | ||
| 1258 | T | 30.7 | Very low | 55.2 | Low | 145 Ų | 145 | 92.1 Ų | 92.1 | 89% | 0.89 | 47% | 0.474 | S | S | * | . | 28.8 | 66.5 | 129.1 | 58.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1259 | E | 34.6 | Very low | 54.7 | Low | 160 Ų | 160 | 94.1 Ų | 94.1 | 75% | 0.748 | 49% | 0.485 | S | S | * | . | trans | -131.7 | 153.3 | 156.2 | -71.6 | -164.5 | 145.3 | 0 | 0 | 110.4 | T1257 F1261 | T1257-E1259 PolarHBondContact O-N 3.3Å; T1257-E1259 VanDerWaalsContact O-N 3.08Å; E1259-F1261 HydrophobicContact CB-CE2 4.45Å; E1259-F1261 WeakPolarHBondContact O-CD2 2.86Å; E1259-F1261 PolarHBondContact O-N 3.26Å | ||
| 1260 | I | 37.1 | Very low | 54.5 | Low | 164 Ų | 164 | 96.1 Ų | 96.1 | 84% | 0.841 | 50% | 0.497 | S | S | * | . | trans | -80.7 | 87.5 | 177.5 | -58.2 | 176.7 | 0 | 0 | 0 | 107.9 | S1262 | I1260-S1262 PolarHBondContact O-N 3.46Š| ||
| 1261 | F | 35.8 | Very low | 54.6 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | trans | -63 | 128.9 | -176.4 | -88.6 | -89.9 | 0 | 0 | 0 | 112.7 | F1254 E1259 | F1254-F1261 HydrophobicContact CB-CZ 4.48Å; F1254-F1261 HydrophobicContact CD2-CE1 4.38Å; E1259-F1261 HydrophobicContact CB-CE2 4.45Å; E1259-F1261 WeakPolarHBondContact O-CD2 2.86Å; E1259-F1261 PolarHBondContact O-N 3.26Å | ||
| 1262 | S | 44.2 | Very low | 55 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -73.2 | 139.1 | 161.2 | 68.7 | 0 | 0 | 0 | 0 | 109.9 | I1260 Q1264 | I1260-S1262 PolarHBondContact O-N 3.46Å; S1262-Q1264 PolarHBondContact O-N 3.39Å | ||
| 1263 | L | 44.8 | Very low | 56.1 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 34% | 0.34 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -62.1 | -0.6 | -178.6 | -79 | 153.4 | 0 | 0 | 0 | 115 | Y1250 H1265 S1266 Y1296 W1298 | Y1250-L1263 HydrophobicContact CD1-CD2 4.44Å; Y1250-L1263 HydrophobicContact CD2-CD2 3.91Å; Y1250-L1263 HydrophobicContact CE1-CD2 4.01Å; Y1250-L1263 HydrophobicContact CE2-CD2 3.4Å; Y1250-L1263 VanDerWaalsContact CE2-CD2 3.4Å; Y1250-L1263 HydrophobicContact CG-CD2 4.39Å; Y1250-L1263 VanDerWaalsContact CZ-CD2 3.46Å; L1263-H1265 VanDerWaalsContact C-N 3.31Å; L1263-H1265 PolarHBondContact O-N 3.48Å; L1263-S1266 PolarHBondContact O-OG 3.31Å; L1263-Y1296 HydrophobicContact CD2-CD2 3.97Å; L1263-Y1296 HydrophobicContact CD2-CE2 3.5Å; L1263-Y1296 HydrophobicContact CG-CE2 4.3Å; L1263-W1298 HydrophobicContact CD1-CZ2 4.28Å |
| 1264 | Q | 49 | Very low | 57.6 | Low | 162 Ų | 162 | 95 Ų | 95 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.4 | -170.9 | -68.7 | 177.7 | -41.7 | 0 | 0 | 114.8 | S1262 | S1262-Q1264 PolarHBondContact O-N 3.39Š|
| 1265 | H | 48.7 | Very low | 59.5 | Low | 150 Ų | 150 | 97.2 Ų | 97.2 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -121.5 | 5.8 | -174.7 | -70.3 | 95 | 0 | 0 | 0 | 114.6 | L1263 | L1263-H1265 VanDerWaalsContact C-N 3.31Å; L1263-H1265 PolarHBondContact O-N 3.48Å |
| 1266 | S | 57.2 | Low | 61.5 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 25% | 0.245 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -104.6 | 128.4 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | Y1250 L1263 L1268 | Y1250-S1266 VanDerWaalsContact CD1-O 3.27Å; Y1250-S1266 WeakPolarHBondContact CD1-O 3.2Å; Y1250-S1266 VanDerWaalsContact CD1-OG 3.28Å; Y1250-S1266 WeakPolarHBondContact CD1-OG 3.3Å; L1263-S1266 PolarHBondContact O-OG 3.31Å; S1266-L1268 PolarHBondContact O-N 2.96Å |
| 1267 | Q | 69.6 | Low | 63.8 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.4 | 179.8 | 179.3 | 179.4 | 2.7 | 0 | 0 | 110.6 | Y1250 L1251 I1269 | Y1250-Q1267 CarbonylContact C-O 3.51Å; Y1250-Q1267 VanDerWaalsContact CA-O 3.29Å; Y1250-Q1267 WeakPolarHBondContact CA-O 2.96Å; L1251-Q1267 HydrophobicContact CB-CB 4.22Å; L1251-Q1267 PolarHBondContact N-O 3.19Å; Q1267-I1269 PolarHBondContact O-N 2.8Å |
| 1268 | L | 81.9 | Confident | 66.4 | Low | 79 Ų | 79 | 85.8 Ų | 85.8 | 41% | 0.414 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 124.5 | 169.3 | -177.2 | 67.8 | 0 | 0 | 0 | 109.8 | E1248 Y1250 S1266 | E1248-L1268 HydrophobicContact CB-CD1 3.74Å; E1248-L1268 HydrophobicContact CG-CD1 4.27Å; Y1250-L1268 HydrophobicContact CD1-CB 4.17Å; Y1250-L1268 HydrophobicContact CD1-CD1 4.47Å; Y1250-L1268 HydrophobicContact CE1-CB 3.79Å; Y1250-L1268 HydrophobicContact CE1-CD1 4.01Å; Y1250-L1268 HydrophobicContact CE2-CD1 4.15Å; S1266-L1268 PolarHBondContact O-N 2.96Å |
| 1269 | I | 81.2 | Confident | 68.9 | Low | 61 Ų | 61 | 81.8 Ų | 81.8 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -41 | -179.4 | -71.1 | -77.7 | 0 | 0 | 0 | 110.6 | I1249 L1251 Q1267 L1287 Y1293 | I1249-I1269 HydrophobicContact CG2-CB 4.31Å; I1249-I1269 WeakPolarHBondContact O-CB 3.03Å; I1249-I1269 PolarHBondContact O-N 2.72Å; L1251-I1269 HydrophobicContact CB-CD1 4.01Å; L1251-I1269 HydrophobicContact CB-CG1 3.73Å; L1251-I1269 HydrophobicContact CD1-CD1 4.04Å; L1251-I1269 HydrophobicContact CD1-CG1 4.27Å; L1251-I1269 HydrophobicContact CD2-CD1 4.48Å; L1251-I1269 HydrophobicContact CG-CD1 4.42Å; Q1267-I1269 PolarHBondContact O-N 2.8Å; I1269-L1287 HydrophobicContact CG2-CD2 4.38Å; I1269-Y1293 HydrophobicContact CB-CE1 4.3Å; I1269-Y1293 HydrophobicContact CD1-CE1 4.43Å; I1269-Y1293 HydrophobicContact CG1-CD1 4.45Å; I1269-Y1293 HydrophobicContact CG1-CE1 3.94Å; I1269-Y1293 HydrophobicContact CG2-CE1 3.97Å |
| 1270 | T | 82.8 | Confident | 71.3 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 139.7 | 170.6 | -178 | 0 | 0 | 0 | 0 | 109.6 | I1249 I1272 I1284 | I1249-T1270 HydrophobicContact CB-CG2 3.97Å; I1249-T1270 HydrophobicContact CD1-CG2 4.16Å; I1249-T1270 HydrophobicContact CG1-CG2 4.22Å; I1249-T1270 PolarHBondContact N-O 2.69Å; I1249-T1270 PolarHBondContact O-N 2.97Å; T1270-I1272 HydrophobicContact CG2-CD1 4.04Å; T1270-I1272 HydrophobicContact CG2-CG1 4.24Å; T1270-I1272 WeakPolarHBondContact OG1-CG1 3.12Å; T1270-I1284 HydrophobicContact CG2-CG2 4.23Å |
| 1271 | S | 87 | Confident | 73.5 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.9 | 162.9 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | L1247 E1248 | L1247-S1271 CarbonylContact O-C 3.23Å; L1247-S1271 WeakPolarHBondContact O-CA 3.34Å; E1248-S1271 WeakPolarHBondContact CG-OG 2.96Å; E1248-S1271 PolarHBondContact OE1-OG 3.26Å |
| 1272 | I | 87 | Confident | 76 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 99.9 | -175 | -58.1 | 176.1 | 0 | 0 | 0 | 107.1 | L1247 T1270 I1274 I1284 | L1247-I1272 HydrophobicContact CB-CB 4.39Å; L1247-I1272 PolarHBondContact N-O 3.08Å; L1247-I1272 PolarHBondContact O-N 3.32Å; T1270-I1272 HydrophobicContact CG2-CD1 4.04Å; T1270-I1272 HydrophobicContact CG2-CG1 4.24Å; T1270-I1272 WeakPolarHBondContact OG1-CG1 3.12Å; I1272-I1274 HydrophobicContact CG2-CD1 3.87Å; I1272-I1274 HydrophobicContact CG2-CG1 4.34Å; I1272-I1274 PolarHBondContact O-N 2.72Å; I1272-I1284 HydrophobicContact CD1-CB 4.27Å; I1272-I1284 HydrophobicContact CD1-CD1 4.25Å; I1272-I1284 HydrophobicContact CD1-CG1 3.97Å; I1272-I1284 HydrophobicContact CD1-CG2 3.5Å; I1272-I1284 VanDerWaalsContact CD1-CG2 3.5Å |
| 1273 | T | 91.2 | Very high | 77.9 | Confident | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.1 | 165.9 | -64.5 | 0 | 0 | 0 | 0 | 108.9 | Y1245 D1246 E1275 | Y1245-T1273 CarbonylContact O-C 3.16Å; Y1245-T1273 WeakPolarHBondContact O-CA 3.34Å; D1246-T1273 WeakPolarHBondContact OD1-CG2 3.05Å; D1246-T1273 PolarHBondContact OD1-OG1 3.5Å; T1273-E1275 HydrophobicContact CG2-CG 4.08Å; T1273-E1275 PolarHBondContact O-N 2.8Å |
| 1274 | I | 88.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 96.8 | 168.6 | -60.1 | -66.9 | 0 | 0 | 0 | 106.4 | W1232 S1244 Y1245 L1247 I1272 D1276 Q1279 T1282 | W1232-I1274 HydrophobicContact CH2-CG1 4.4Å; S1244-I1274 VanDerWaalsContact CA-O 3.29Å; S1244-I1274 WeakPolarHBondContact CA-O 2.99Å; S1244-I1274 WeakPolarHBondContact CB-O 3.4Å; Y1245-I1274 HydrophobicContact CD2-CG2 4.42Å; Y1245-I1274 PolarHBondContact N-O 2.66Å; Y1245-I1274 PolarHBondContact O-N 3.48Å; L1247-I1274 HydrophobicContact CD1-CG1 3.74Å; I1272-I1274 HydrophobicContact CG2-CD1 3.87Å; I1272-I1274 HydrophobicContact CG2-CG1 4.34Å; I1272-I1274 PolarHBondContact O-N 2.72Å; I1274-D1276 WeakPolarHBondContact CG2-O 3.42Å; I1274-D1276 PolarHBondContact O-N 3.19Å; I1274-Q1279 HydrophobicContact CG2-CB 3.68Å; I1274-Q1279 HydrophobicContact CG2-CG 3.94Å; I1274-T1282 HydrophobicContact CD1-CG2 4.34Å |
| 1275 | E | 88.9 | Confident | 81.5 | Confident | 168 Ų | 168 | 57.6 Ų | 57.6 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | trans | -69.3 | -10.3 | -177.6 | -61.5 | -178.2 | 162.5 | 0 | 0 | 113.8 | T1273 P1277 | T1273-E1275 HydrophobicContact CG2-CG 4.08Å; T1273-E1275 PolarHBondContact O-N 2.8Å; E1275-P1277 VanDerWaalsContact O-CD 3.29Å; E1275-P1277 WeakPolarHBondContact O-CD 3.33Å | ||
| 1276 | D | 86.1 | Confident | 83 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | trans | -90.7 | 105.1 | 170.2 | -179.4 | -1.7 | 0 | 0 | 0 | 109.3 | I1274 E1278 Q1279 | I1274-D1276 WeakPolarHBondContact CG2-O 3.42Å; I1274-D1276 PolarHBondContact O-N 3.19Å; D1276-E1278 PolarHBondContact O-N 3.18Å; D1276-E1278 WeakPolarHBondContact OD1-CA 3.19Å; D1276-E1278 VanDerWaalsContact OD1-CB 3.23Å; D1276-E1278 WeakPolarHBondContact OD1-CB 3.35Å; D1276-E1278 PolarHBondContact OD1-N 2.7Å; D1276-Q1279 HydrophobicContact CB-CB 3.81Å; D1276-Q1279 PolarHBondContact O-N 2.94Å; D1276-Q1279 VanDerWaalsContact O-N 3.1Å; D1276-Q1279 PolarHBondContact OD1-N 3.23Å | ||
| 1277 | P | 82.7 | Confident | 84.4 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -5 | 179.7 | 28 | -34.2 | 0 | 0 | 0 | 113.5 | L1242 Y1245 E1275 | L1242-P1277 HydrophobicContact CB-CB 4.06Å; L1242-P1277 HydrophobicContact CD2-CB 3.82Å; L1242-P1277 WeakPolarHBondContact CD2-O 3.36Å; L1242-P1277 HydrophobicContact CG-CB 3.69Å; L1242-P1277 WeakPolarHBondContact O-CB 3.24Å; L1242-P1277 WeakPolarHBondContact O-CG 3.07Å; Y1245-P1277 VanDerWaalsContact CE2-O 3.26Å; Y1245-P1277 WeakPolarHBondContact CE2-O 3.3Å; Y1245-P1277 PolarHBondContact OH-O 3.34Å; E1275-P1277 VanDerWaalsContact O-CD 3.29Å; E1275-P1277 WeakPolarHBondContact O-CD 3.33Å |
| 1278 | E | 85.5 | Confident | 84.9 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -8 | -177.6 | -49.2 | -71.7 | 171.4 | 0 | 0 | 111.5 | K1234 D1276 C1280 F1550 H1551 C1552 | K1234-E1278 IonicContact NZ-OE1 2.72Å; K1234-E1278 PolarHBondContact NZ-OE1 2.71Å; K1234-E1278 IonicContact NZ-OE2 2.86Å; K1234-E1278 PolarHBondContact NZ-OE2 3.02Å; D1276-E1278 PolarHBondContact O-N 3.18Å; D1276-E1278 WeakPolarHBondContact OD1-CA 3.19Å; D1276-E1278 VanDerWaalsContact OD1-CB 3.23Å; D1276-E1278 WeakPolarHBondContact OD1-CB 3.35Å; D1276-E1278 PolarHBondContact OD1-N 2.7Å; E1278-C1280 PolarHBondContact O-N 3.24Å; E1278-C1280 VanDerWaalsContact O-N 3.11Å; E1278-F1550 HydrophobicContact CB-CB 4.01Å; E1278-F1550 HydrophobicContact CG-CB 3.6Å; E1278-F1550 HydrophobicContact CG-CG 4.24Å; E1278-H1551 HydrophobicContact CB-CB 3.41Å; E1278-H1551 VanDerWaalsContact CB-CB 3.41Å; E1278-H1551 HydrophobicContact CG-CB 4.5Å; E1278-H1551 CarbonylContact O-C 3.28Å; E1278-H1551 VanDerWaalsContact O-C 3.3Å; E1278-H1551 WeakPolarHBondContact O-CB 3.21Å; E1278-H1551 PolarHBondContact OE2-N 2.96Å; E1278-C1552 WeakPolarHBondContact O-CB 3.21Å |
| 1279 | Q | 82.4 | Confident | 84.5 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | trans | -77.3 | 95.8 | 171.6 | 179.4 | -179.7 | -10.3 | 0 | 0 | 110.5 | W1232 I1274 D1276 A1281 | W1232-Q1279 WeakPolarHBondContact CZ2-O 3.31Å; I1274-Q1279 HydrophobicContact CG2-CB 3.68Å; I1274-Q1279 HydrophobicContact CG2-CG 3.94Å; D1276-Q1279 HydrophobicContact CB-CB 3.81Å; D1276-Q1279 PolarHBondContact O-N 2.94Å; D1276-Q1279 VanDerWaalsContact O-N 3.1Å; D1276-Q1279 PolarHBondContact OD1-N 3.23Å; Q1279-A1281 VanDerWaalsContact C-N 3.34Å; Q1279-A1281 VanDerWaalsContact CG-O 3.26Å; Q1279-A1281 WeakPolarHBondContact CG-O 3.01Å; Q1279-A1281 PolarHBondContact NE2-O 3.14Å; Q1279-A1281 PolarHBondContact O-N 2.94Å | ||
| 1280 | C | 84.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | trans | -87.5 | 12.9 | 178.8 | -55 | 0 | 0 | 0 | 0 | 115.2 | S1231 W1232 E1278 C1552 | S1231-C1280 WeakPolarHBondContact CA-O 3.2Å; W1232-C1280 PolarHBondContact N-O 3.02Å; W1232-C1280 WeakPolarHBondContact O-CB 3.41Å; E1278-C1280 PolarHBondContact O-N 3.24Å; E1278-C1280 VanDerWaalsContact O-N 3.11Å; C1280-C1552 HydrophobicContact CB-CB 3.98Å | ||
| 1281 | A | 84.4 | Confident | 84 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 147.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L4 V1230 Q1279 | L4-A1281 HydrophobicContact CD1-CB 3.72Å; L4-A1281 HydrophobicContact CD2-CB 3.77Å; L4-A1281 HydrophobicContact CG-CB 4.41Å; V1230-A1281 CarbonylContact O-C 2.79Å; V1230-A1281 WeakPolarHBondContact O-CA 3.21Å; V1230-A1281 VanDerWaalsContact O-CB 3.3Å; V1230-A1281 WeakPolarHBondContact O-CB 3.25Å; Q1279-A1281 VanDerWaalsContact C-N 3.34Å; Q1279-A1281 VanDerWaalsContact CG-O 3.26Å; Q1279-A1281 WeakPolarHBondContact CG-O 3.01Å; Q1279-A1281 PolarHBondContact NE2-O 3.14Å; Q1279-A1281 PolarHBondContact O-N 2.94Å |
| 1282 | T | 86.9 | Confident | 83.8 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.3 | 178.9 | -162.5 | 0 | 0 | 0 | 0 | 113.8 | E1229 V1230 W1232 L1247 I1274 I1284 | E1229-T1282 WeakPolarHBondContact CA-O 3.39Å; V1230-T1282 PolarHBondContact N-O 3.27Å; V1230-T1282 PolarHBondContact O-N 3.14Å; W1232-T1282 HydrophobicContact CH2-CG2 3.89Å; W1232-T1282 HydrophobicContact CZ3-CG2 4Å; L1247-T1282 HydrophobicContact CD2-CG2 4.01Å; I1274-T1282 HydrophobicContact CD1-CG2 4.34Å; T1282-I1284 HydrophobicContact CG2-CD1 4.19Å; T1282-I1284 HydrophobicContact CG2-CG1 3.78Å |
| 1283 | R | 84.2 | Confident | 83.7 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 108.9 | 172.8 | -175.4 | -172.9 | -165.4 | -152.2 | 7.2 | 109.1 | F3 H1227 I1228 E1229 E1421 | F3-R1283 VanDerWaalsContact CE2-NH2 3.25Å; H1227-R1283 PolarHBondContact CD2-NE 3.1Å; H1227-R1283 PolarHBondContact CD2-NH2 2.67Å; H1227-R1283 PolarHBondContact CE1-NH2 2.68Å; H1227-R1283 PolarHBondContact ND1-NH2 2.92Å; H1227-R1283 PolarHBondContact NE2-NH2 3.43Å; I1228-R1283 CarbonylContact O-C 3.51Å; I1228-R1283 VanDerWaalsContact O-CA 3.26Å; I1228-R1283 WeakPolarHBondContact O-CA 3.22Å; I1228-R1283 WeakPolarHBondContact O-CG 3.49Å; E1229-R1283 HydrophobicContact CG-CB 3.99Å; E1229-R1283 HydrophobicContact CG-CG 4.02Å; E1229-R1283 IonicContact OE1-NE 3.28Å; R1283-E1421 IonicContact NH2-OE2 2.71Å; R1283-E1421 PolarHBondContact NH2-OE2 3.33Å |
| 1284 | I | 87.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.2 | -178.4 | -50.9 | 175.4 | 0 | 0 | 0 | 108.4 | H1227 I1228 V1230 L1247 I1249 T1270 I1272 T1282 L1295 | H1227-I1284 CarbonylContact C-O 3.6Å; H1227-I1284 WeakPolarHBondContact CA-O 3.18Å; H1227-I1284 WeakPolarHBondContact CB-O 2.95Å; I1228-I1284 HydrophobicContact CG1-CB 4.11Å; I1228-I1284 PolarHBondContact N-O 3.35Å; I1228-I1284 PolarHBondContact O-N 2.02Å; V1230-I1284 HydrophobicContact CG2-CD1 4.1Å; L1247-I1284 HydrophobicContact CD2-CD1 3.99Å; I1249-I1284 HydrophobicContact CD1-CB 4.08Å; I1249-I1284 HydrophobicContact CD1-CD1 3.73Å; I1249-I1284 HydrophobicContact CD1-CG1 4.48Å; I1249-I1284 HydrophobicContact CD1-CG2 3.47Å; I1249-I1284 VanDerWaalsContact CD1-CG2 3.47Å; I1249-I1284 HydrophobicContact CG1-CD1 4.28Å; T1270-I1284 HydrophobicContact CG2-CG2 4.23Å; I1272-I1284 HydrophobicContact CD1-CB 4.27Å; I1272-I1284 HydrophobicContact CD1-CD1 4.25Å; I1272-I1284 HydrophobicContact CD1-CG1 3.97Å; I1272-I1284 HydrophobicContact CD1-CG2 3.5Å; I1272-I1284 VanDerWaalsContact CD1-CG2 3.5Å; T1282-I1284 HydrophobicContact CG2-CD1 4.19Å; T1282-I1284 HydrophobicContact CG2-CG1 3.78Å; I1284-L1295 HydrophobicContact CD1-CD1 4.19Å; I1284-L1295 HydrophobicContact CD1-CD2 4.19Å |
| 1285 | S | 83.4 | Confident | 83.5 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 166.9 | -170.3 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | N1226 L1287 | N1226-S1285 CarbonylContact O-C 3.57Å; S1285-L1287 VanDerWaalsContact C-N 3.33Å |
| 1286 | G | 80.3 | Confident | 83.6 | Confident | 69 Ų | 69 | 42 Ų | 42 | 71% | 0.711 | 23% | 0.227 | S | C | * | . | trans | 84.5 | 9.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1226 | N1226-G1286 PolarHBondContact O-N 3.39Š| ||
| 1287 | L | 85.4 | Confident | 84 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 145.7 | 174.1 | -58.3 | 175.1 | 0 | 0 | 0 | 109.7 | N1226 I1228 I1249 I1269 S1285 Y1293 F1313 T1315 | N1226-L1287 WeakPolarHBondContact CA-O 3.3Å; N1226-L1287 WeakPolarHBondContact CB-O 3Å; N1226-L1287 PolarHBondContact O-N 3.26Å; I1228-L1287 HydrophobicContact CG1-CD1 4.08Å; I1228-L1287 HydrophobicContact CG2-CD1 4.21Å; I1249-L1287 HydrophobicContact CD1-CD1 4.37Å; I1249-L1287 HydrophobicContact CD1-CD2 3.98Å; I1249-L1287 HydrophobicContact CG2-CD2 4.36Å; I1269-L1287 HydrophobicContact CG2-CD2 4.38Å; S1285-L1287 VanDerWaalsContact C-N 3.33Å; L1287-Y1293 HydrophobicContact CB-CE2 3.88Å; L1287-Y1293 HydrophobicContact CD2-CE1 4.13Å; L1287-Y1293 HydrophobicContact CD2-CE2 4.13Å; L1287-Y1293 HydrophobicContact CG-CE2 4.41Å; L1287-F1313 HydrophobicContact CD1-CE2 3.78Å; L1287-F1313 HydrophobicContact CD1-CZ 3.83Å; L1287-T1315 HydrophobicContact CB-CG2 3.9Å; L1287-T1315 HydrophobicContact CD1-CG2 4.29Å |
| 1288 | K | 80.6 | Confident | 84.5 | Confident | 144 Ų | 144 | 38.8 Ų | 38.8 | 63% | 0.626 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -71.1 | 144.8 | 174.8 | -68.3 | 179.3 | -179.2 | 177.3 | 0 | 109.2 | T1291 Y1293 T1315 | K1288-T1291 HydrophobicContact CB-CG2 4.43Å; K1288-T1291 VanDerWaalsContact CB-OG1 3.28Å; K1288-T1291 WeakPolarHBondContact CB-OG1 3.45Å; K1288-Y1293 PolarHBondContact N-OH 3.15Å; K1288-T1315 WeakPolarHBondContact O-CB 3.05Å; K1288-T1315 WeakPolarHBondContact O-CG2 3.26Å; K1288-T1315 PolarHBondContact O-OG1 2.93Å |
| 1289 | M | 74.3 | Confident | 84.8 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 153.3 | 172.5 | -173 | 178.7 | 169.5 | 0 | 0 | 110.7 | V1225 T1291 T1315 A1316 T1317 L1318 V1457 | V1225-M1289 HydrophobicContact CG1-CB 4.35Å; V1225-M1289 HydrophobicContact CG1-CE 4.41Å; V1225-M1289 HydrophobicContact CG1-CG 3.9Å; V1225-M1289 HydrophobicContact CG1-SD 3.62Å; V1225-M1289 VanDerWaalsContact O-CA 3.29Å; V1225-M1289 WeakPolarHBondContact O-CA 3.21Å; V1225-M1289 WeakPolarHBondContact O-CB 3.38Å; M1289-T1291 PolarHBondContact O-N 3.2Å; M1289-T1291 VanDerWaalsContact O-N 3.12Å; M1289-T1291 PolarHBondContact O-OG1 3.39Å; M1289-T1315 VanDerWaalsContact C-OG1 3.29Å; M1289-A1316 WeakPolarHBondContact CG-O 2.94Å; M1289-T1317 VanDerWaalsContact CE-C 3.41Å; M1289-T1317 WeakPolarHBondContact CE-O 3.17Å; M1289-L1318 HydrophobicContact CE-CB 3.77Å; M1289-L1318 HydrophobicContact CE-CD1 3.91Å; M1289-L1318 HydrophobicContact CE-CG 4.45Å; M1289-V1457 HydrophobicContact CE-CB 3.72Å; M1289-V1457 HydrophobicContact CE-CG2 3.54Å; M1289-V1457 HydrophobicContact SD-CG2 4.5Å |
| 1290 | N | 73.5 | Confident | 85.2 | Confident | 67 Ų | 67 | 37.5 Ų | 37.5 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 35.4 | 178.1 | -164.6 | 16.4 | 0 | 0 | 0 | 114.9 | R1314 T1315 A1316 | N1290-R1314 VanDerWaalsContact OD1-CZ 3.27Å; N1290-R1314 PolarHBondContact OD1-NE 3.15Å; N1290-R1314 PolarHBondContact OD1-NH2 3.15Å; N1290-T1315 PolarHBondContact N-OG1 3.39Å; N1290-A1316 WeakPolarHBondContact CA-O 3.2Å; N1290-A1316 PolarHBondContact N-O 3.16Å |
| 1291 | T | 79.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 17% | 0.172 | 20% | 0.197 | C | C | . | . | trans | -121.2 | 137.2 | -172.1 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | L1251 K1288 M1289 Y1293 R1314 T1315 | L1251-T1291 HydrophobicContact CD1-CG2 3.41Å; L1251-T1291 VanDerWaalsContact CD1-CG2 3.41Å; K1288-T1291 HydrophobicContact CB-CG2 4.43Å; K1288-T1291 VanDerWaalsContact CB-OG1 3.28Å; K1288-T1291 WeakPolarHBondContact CB-OG1 3.45Å; M1289-T1291 PolarHBondContact O-N 3.2Å; M1289-T1291 VanDerWaalsContact O-N 3.12Å; M1289-T1291 PolarHBondContact O-OG1 3.39Å; T1291-Y1293 HydrophobicContact CG2-CD2 4.24Å; T1291-Y1293 HydrophobicContact CG2-CE1 4Å; T1291-Y1293 HydrophobicContact CG2-CE2 3.6Å; T1291-Y1293 VanDerWaalsContact CG2-CZ 3.46Å; T1291-Y1293 VanDerWaalsContact O-CD2 3.29Å; T1291-Y1293 WeakPolarHBondContact O-CD2 3.4Å; T1291-R1314 WeakPolarHBondContact O-CA 3.07Å; T1291-T1315 PolarHBondContact N-OG1 3.39Å; T1291-T1315 PolarHBondContact O-N 3.21Å; T1291-T1315 PolarHBondContact O-OG1 2.89Å | ||
| 1292 | Y | 82.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 40.5 Ų | 40.5 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 142 | 176.9 | -73.5 | -81.9 | 0 | 0 | 0 | 111.9 | N1252 I1255 F1313 R1314 | N1252-Y1292 PolarHBondContact N-O 3.24Å; N1252-Y1292 WeakPolarHBondContact O-CB 3.35Å; I1255-Y1292 HydrophobicContact CD1-CE2 4.14Å; I1255-Y1292 HydrophobicContact CG1-CE2 4.28Å; Y1292-F1313 WeakPolarHBondContact CA-O 3.33Å; Y1292-R1314 HydrophobicContact CD1-CB 3.69Å; Y1292-R1314 HydrophobicContact CD1-CG 3.93Å; Y1292-R1314 HydrophobicContact CD2-CG 4.33Å; Y1292-R1314 HydrophobicContact CE1-CB 3.73Å; Y1292-R1314 HydrophobicContact CE1-CG 3.87Å; Y1292-R1314 HydrophobicContact CE2-CG 4.27Å; Y1292-R1314 HydrophobicContact CG-CB 4.33Å; Y1292-R1314 HydrophobicContact CG-CG 4.17Å; Y1292-R1314 PolarHBondContact OH-NH1 2.87Å |
| 1293 | Y | 86.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.2 | -172.7 | -69.5 | -70.7 | 0 | 0 | 0 | 111.4 | I1249 Y1250 L1251 I1269 L1287 K1288 T1291 N1312 F1313 T1315 | I1249-Y1293 HydrophobicContact CG2-CD1 3.5Å; I1249-Y1293 VanDerWaalsContact CG2-CD1 3.5Å; I1249-Y1293 HydrophobicContact CG2-CE1 4.22Å; I1249-Y1293 HydrophobicContact CG2-CG 4.01Å; Y1250-Y1293 CarbonylContact O-C 3.55Å; Y1250-Y1293 VanDerWaalsContact O-CA 3.29Å; Y1250-Y1293 WeakPolarHBondContact O-CA 3.28Å; L1251-Y1293 HydrophobicContact CD1-CD1 4.25Å; L1251-Y1293 HydrophobicContact CD1-CE1 3.77Å; I1269-Y1293 HydrophobicContact CB-CE1 4.3Å; I1269-Y1293 HydrophobicContact CD1-CE1 4.43Å; I1269-Y1293 HydrophobicContact CG1-CD1 4.45Å; I1269-Y1293 HydrophobicContact CG1-CE1 3.94Å; I1269-Y1293 HydrophobicContact CG2-CE1 3.97Å; L1287-Y1293 HydrophobicContact CB-CE2 3.88Å; L1287-Y1293 HydrophobicContact CD2-CE1 4.13Å; L1287-Y1293 HydrophobicContact CD2-CE2 4.13Å; L1287-Y1293 HydrophobicContact CG-CE2 4.41Å; K1288-Y1293 PolarHBondContact N-OH 3.15Å; T1291-Y1293 HydrophobicContact CG2-CD2 4.24Å; T1291-Y1293 HydrophobicContact CG2-CE1 4Å; T1291-Y1293 HydrophobicContact CG2-CE2 3.6Å; T1291-Y1293 VanDerWaalsContact CG2-CZ 3.46Å; T1291-Y1293 VanDerWaalsContact O-CD2 3.29Å; T1291-Y1293 WeakPolarHBondContact O-CD2 3.4Å; Y1293-N1312 WeakPolarHBondContact O-CA 3.38Å; Y1293-F1313 HydrophobicContact CD2-CD2 4.26Å; Y1293-F1313 AromaticContact CD2-CE2 3.47Å; Y1293-F1313 HydrophobicContact CD2-CE2 3.47Å; Y1293-F1313 VanDerWaalsContact CD2-CE2 3.47Å; Y1293-F1313 AromaticContact CD2-CZ 3.75Å; Y1293-F1313 HydrophobicContact CD2-CZ 3.75Å; Y1293-F1313 HydrophobicContact CE2-CE2 4.45Å; Y1293-F1313 HydrophobicContact CG-CE1 4.33Å; Y1293-F1313 AromaticContact CG-CE2 3.88Å; Y1293-F1313 HydrophobicContact CG-CE2 3.88Å; Y1293-F1313 AromaticContact CG-CZ 3.67Å; Y1293-F1313 HydrophobicContact CG-CZ 3.67Å; Y1293-F1313 PolarHBondContact N-O 2.6Å; Y1293-F1313 PolarHBondContact O-N 3.48Å; Y1293-T1315 HydrophobicContact CD2-CG2 4.2Å; Y1293-T1315 HydrophobicContact CE2-CG2 3.93Å |
| 1294 | L | 85.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 115.5 | 173.6 | 170 | 55.4 | 0 | 0 | 0 | 107.9 | Y1250 N1252 Y1296 Y1310 | Y1250-L1294 PolarHBondContact N-O 2.99Å; Y1250-L1294 PolarHBondContact O-N 3.46Å; N1252-L1294 HydrophobicContact CB-CB 4.2Å; L1294-Y1296 HydrophobicContact CD1-CE2 4.13Å; L1294-Y1296 HydrophobicContact CD2-CD2 4.47Å; L1294-Y1296 HydrophobicContact CD2-CE2 3.51Å; L1294-Y1296 HydrophobicContact CG-CD2 4.04Å; L1294-Y1296 HydrophobicContact CG-CE2 3.54Å; L1294-Y1310 HydrophobicContact CD1-CD2 3.78Å; L1294-Y1310 HydrophobicContact CD1-CG 4.3Å |
| 1295 | L | 90.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.7 | 176.8 | 168.4 | 64.3 | 0 | 0 | 0 | 109.6 | V1230 L1247 I1249 I1284 Y1310 V1311 F1313 | V1230-L1295 HydrophobicContact CB-CD2 4.27Å; V1230-L1295 HydrophobicContact CG1-CD2 3.7Å; V1230-L1295 HydrophobicContact CG2-CD2 3.63Å; L1247-L1295 HydrophobicContact CB-CD1 3.98Å; L1247-L1295 HydrophobicContact CD2-CD1 4.16Å; L1247-L1295 HydrophobicContact CG-CD1 4.3Å; I1249-L1295 HydrophobicContact CD1-CD1 4.49Å; I1249-L1295 HydrophobicContact CG1-CB 4.19Å; I1249-L1295 HydrophobicContact CG1-CD1 3.62Å; I1249-L1295 HydrophobicContact CG1-CG 4.43Å; I1284-L1295 HydrophobicContact CD1-CD1 4.19Å; I1284-L1295 HydrophobicContact CD1-CD2 4.19Å; L1295-Y1310 CarbonylContact O-C 2.86Å; L1295-Y1310 WeakPolarHBondContact O-CA 2.89Å; L1295-Y1310 WeakPolarHBondContact O-CB 3.11Å; L1295-V1311 HydrophobicContact CB-CG1 3.99Å; L1295-V1311 HydrophobicContact CD2-CG1 4.07Å; L1295-V1311 HydrophobicContact CG-CG1 4.3Å; L1295-V1311 PolarHBondContact N-O 3.26Å; L1295-V1311 PolarHBondContact O-N 3.49Å; L1295-F1313 HydrophobicContact CB-CE1 4.2Å |
| 1296 | Y | 91.5 | Very high | 85.7 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 153.3 | 164.1 | -71.1 | -98.5 | 0 | 0 | 0 | 110.7 | L1247 E1248 Y1250 L1263 L1294 W1298 P1308 N1309 Y1310 | L1247-Y1296 CarbonylContact C-O 3.17Å; L1247-Y1296 VanDerWaalsContact CA-O 3.32Å; L1247-Y1296 WeakPolarHBondContact CA-O 3.25Å; E1248-Y1296 PolarHBondContact N-O 2.92Å; E1248-Y1296 PolarHBondContact O-N 2.79Å; Y1250-Y1296 AromaticContact CD2-CD2 3.76Å; Y1250-Y1296 HydrophobicContact CD2-CD2 3.76Å; Y1250-Y1296 HydrophobicContact CD2-CE2 4.13Å; Y1250-Y1296 AromaticContact CE2-CD2 3.94Å; Y1250-Y1296 HydrophobicContact CE2-CD2 3.94Å; Y1250-Y1296 HydrophobicContact CE2-CE2 4.44Å; L1263-Y1296 HydrophobicContact CD2-CD2 3.97Å; L1263-Y1296 HydrophobicContact CD2-CE2 3.5Å; L1263-Y1296 HydrophobicContact CG-CE2 4.3Å; L1294-Y1296 HydrophobicContact CD1-CE2 4.13Å; L1294-Y1296 HydrophobicContact CD2-CD2 4.47Å; L1294-Y1296 HydrophobicContact CD2-CE2 3.51Å; L1294-Y1296 HydrophobicContact CG-CD2 4.04Å; L1294-Y1296 HydrophobicContact CG-CE2 3.54Å; Y1296-W1298 VanDerWaalsContact CB-CH2 3.42Å; Y1296-W1298 HydrophobicContact CD1-CH2 4.29Å; Y1296-W1298 HydrophobicContact CD1-CZ2 4.4Å; Y1296-W1298 AromaticContact CG-CH2 3.91Å; Y1296-W1298 HydrophobicContact CG-CH2 3.91Å; Y1296-W1298 HydrophobicContact CG-CZ2 4.46Å; Y1296-W1298 HydrophobicContact CG-CZ3 4.34Å; Y1296-P1308 HydrophobicContact CD1-CB 3.95Å; Y1296-P1308 HydrophobicContact CD1-CG 4.47Å; Y1296-N1309 CarbonylContact C-O 3.46Å; Y1296-N1309 WeakPolarHBondContact CA-O 3.39Å; Y1296-Y1310 HydrophobicContact CD1-CD1 4.44Å; Y1296-Y1310 HydrophobicContact CD1-CG 4.35Å; Y1296-Y1310 HydrophobicContact CE1-CD1 4.03Å; Y1296-Y1310 HydrophobicContact CE1-CG 4.07Å |
| 1297 | I | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.1 | 167.8 | -169.1 | 168.6 | 0 | 0 | 0 | 110.3 | V1215 L1218 W1232 Y1245 D1246 L1247 P1308 N1309 | V1215-I1297 HydrophobicContact CB-CG2 3.91Å; V1215-I1297 HydrophobicContact CG1-CD1 4.46Å; V1215-I1297 HydrophobicContact CG1-CG2 4.27Å; V1215-I1297 HydrophobicContact CG2-CG1 4.26Å; V1215-I1297 HydrophobicContact CG2-CG2 3.96Å; L1218-I1297 HydrophobicContact CD1-CG2 4.06Å; L1218-I1297 HydrophobicContact CD2-CG2 3.83Å; L1218-I1297 HydrophobicContact CG-CG2 4.4Å; W1232-I1297 HydrophobicContact CD2-CD1 3.43Å; W1232-I1297 VanDerWaalsContact CD2-CD1 3.43Å; W1232-I1297 HydrophobicContact CE3-CD1 3.88Å; W1232-I1297 HydrophobicContact CG-CD1 3.77Å; W1232-I1297 HydrophobicContact CH2-CD1 4.23Å; W1232-I1297 HydrophobicContact CZ2-CD1 3.8Å; W1232-I1297 HydrophobicContact CZ3-CD1 4.26Å; Y1245-I1297 HydrophobicContact CD1-CD1 4.02Å; Y1245-I1297 HydrophobicContact CD1-CG1 4.31Å; Y1245-I1297 HydrophobicContact CG-CD1 4.18Å; D1246-I1297 CarbonylContact O-C 3.57Å; D1246-I1297 WeakPolarHBondContact O-CA 2.93Å; L1247-I1297 HydrophobicContact CD1-CD1 3.62Å; L1247-I1297 HydrophobicContact CD1-CG1 3.68Å; L1247-I1297 HydrophobicContact CD2-CD1 4.38Å; L1247-I1297 HydrophobicContact CG-CB 4.15Å; L1247-I1297 HydrophobicContact CG-CD1 3.89Å; L1247-I1297 HydrophobicContact CG-CG1 3.8Å; I1297-P1308 CarbonylContact O-C 3.57Å; I1297-P1308 WeakPolarHBondContact O-CA 3.41Å; I1297-N1309 HydrophobicContact CG2-CB 4.13Å; I1297-N1309 PolarHBondContact N-O 3.34Å; I1297-N1309 PolarHBondContact O-N 3.18Å |
| 1298 | W | 94.2 | Very high | 86 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.8 | 169.6 | -63.3 | -102.4 | 0 | 0 | 0 | 109.4 | Y1245 D1246 E1248 L1263 Y1296 R1305 P1308 | Y1245-W1298 CarbonylContact C-O 2.99Å; Y1245-W1298 VanDerWaalsContact CA-O 3.25Å; Y1245-W1298 WeakPolarHBondContact CA-O 3.07Å; D1246-W1298 PolarHBondContact N-O 3.05Å; D1246-W1298 PolarHBondContact O-N 3.19Å; E1248-W1298 HydrophobicContact CB-CH2 4.23Å; E1248-W1298 HydrophobicContact CB-CZ3 3.72Å; E1248-W1298 HydrophobicContact CG-CE3 4.44Å; E1248-W1298 HydrophobicContact CG-CH2 4.34Å; E1248-W1298 HydrophobicContact CG-CZ3 3.64Å; E1248-W1298 VanDerWaalsContact OE2-CH2 3.29Å; E1248-W1298 WeakPolarHBondContact OE2-CH2 3.38Å; E1248-W1298 WeakPolarHBondContact OE2-CZ3 2.69Å; L1263-W1298 HydrophobicContact CD1-CZ2 4.28Å; Y1296-W1298 VanDerWaalsContact CB-CH2 3.42Å; Y1296-W1298 HydrophobicContact CD1-CH2 4.29Å; Y1296-W1298 HydrophobicContact CD1-CZ2 4.4Å; Y1296-W1298 AromaticContact CG-CH2 3.91Å; Y1296-W1298 HydrophobicContact CG-CH2 3.91Å; Y1296-W1298 HydrophobicContact CG-CZ2 4.46Å; Y1296-W1298 HydrophobicContact CG-CZ3 4.34Å; W1298-R1305 HydrophobicContact CB-CB 3.95Å; W1298-R1305 HydrophobicContact CB-CG 3.96Å; W1298-R1305 HydrophobicContact CG-CB 4.03Å; W1298-R1305 HydrophobicContact CG-CG 4.16Å; W1298-P1308 HydrophobicContact CD2-CB 4.11Å; W1298-P1308 HydrophobicContact CG-CB 4.24Å; W1298-P1308 HydrophobicContact CZ2-CB 4.16Å |
| 1299 | A | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1212 V1215 P1235 L1242 Y1245 G1306 | P1212-A1299 HydrophobicContact CB-CB 3.64Å; P1212-A1299 HydrophobicContact CG-CB 3.93Å; V1215-A1299 HydrophobicContact CG2-CB 4.01Å; P1235-A1299 HydrophobicContact CG-CB 3.55Å; L1242-A1299 HydrophobicContact CD1-CB 3.71Å; Y1245-A1299 HydrophobicContact CD1-CB 4.18Å; Y1245-A1299 HydrophobicContact CE1-CB 4.18Å; A1299-G1306 PolarHBondContact O-N 3.43Å |
| 1300 | K | 90.5 | Very high | 87.1 | Confident | 61 Ų | 61 | 44.2 Ų | 44.2 | 27% | 0.265 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.5 | -170.2 | -168.1 | -171.1 | -161.8 | 159.6 | 0 | 113.1 | I1243 S1244 D1246 G1304 R1305 | I1243-K1300 PolarHBondContact N-O 2.84Å; S1244-K1300 WeakPolarHBondContact O-CB 3.18Å; S1244-K1300 PolarHBondContact O-N 2.88Å; S1244-K1300 WeakPolarHBondContact OG-CD 3.46Å; D1246-K1300 IonicContact OD1-NZ 3.67Å; D1246-K1300 PolarHBondContact OD1-NZ 2.61Å; D1246-K1300 VanDerWaalsContact OD1-NZ 3.13Å; D1246-K1300 WeakPolarHBondContact OD2-CE 2.88Å; D1246-K1300 IonicContact OD2-NZ 3.61Å; D1246-K1300 PolarHBondContact OD2-NZ 3.12Å; K1300-G1304 WeakPolarHBondContact CA-O 3.25Å; K1300-R1305 HydrophobicContact CG-CG 4.46Å |
| 1301 | T | 89.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -173.8 | 170.8 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | G1210 P1212 L1238 E1241 V1303 G1304 | G1210-T1301 WeakPolarHBondContact O-CB 2.95Å; G1210-T1301 PolarHBondContact O-OG1 2.76Å; P1212-T1301 HydrophobicContact CG-CG2 3.53Å; L1238-T1301 WeakPolarHBondContact O-CG2 3.33Å; E1241-T1301 WeakPolarHBondContact O-CA 3.17Å; E1241-T1301 WeakPolarHBondContact O-CG2 3.47Å; T1301-V1303 PolarHBondContact O-N 2.94Å; T1301-V1303 PolarHBondContact OG1-N 3.3Å; T1301-G1304 PolarHBondContact N-O 3.33Å; T1301-G1304 PolarHBondContact O-N 3.3Å |
| 1302 | S | 86.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 45.1 Ų | 45.1 | 58% | 0.58 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.2 | 173.6 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | E1209 | E1209-S1302 WeakPolarHBondContact OE1-CB 3.26Å; E1209-S1302 PolarHBondContact OE1-N 3.19Å; E1209-S1302 PolarHBondContact OE1-OG 2.96Å |
| 1303 | V | 85.9 | Confident | 87.9 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -29.7 | 179 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | E1209 V1211 T1301 | E1209-V1303 HydrophobicContact CB-CG2 3.92Å; E1209-V1303 HydrophobicContact CG-CG2 4.03Å; E1209-V1303 WeakPolarHBondContact O-CG2 3.36Å; V1211-V1303 HydrophobicContact CG1-CB 3.97Å; V1211-V1303 HydrophobicContact CG1-CG1 3.8Å; T1301-V1303 PolarHBondContact O-N 2.94Å; T1301-V1303 PolarHBondContact OG1-N 3.3Å |
| 1304 | G | 85.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -166.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | K1300 T1301 | K1300-G1304 WeakPolarHBondContact CA-O 3.25Å; T1301-G1304 PolarHBondContact N-O 3.33Å; T1301-G1304 PolarHBondContact O-N 3.3Å |
| 1305 | R | 88.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.3 | 172 | -69 | -180 | 179.7 | -177.9 | 0.8 | 110.2 | V1211 D1246 E1248 W1298 K1300 | V1211-R1305 WeakPolarHBondContact CG1-O 2.88Å; D1246-R1305 IonicContact OD2-CZ 3.06Å; D1246-R1305 IonicContact OD2-NE 3.42Å; D1246-R1305 PolarHBondContact OD2-NE 2.76Å; D1246-R1305 IonicContact OD2-NH2 2.66Å; D1246-R1305 PolarHBondContact OD2-NH2 2.72Å; D1246-R1305 VanDerWaalsContact OD2-NH2 3.1Å; E1248-R1305 IonicContact OE1-CZ 2.79Å; E1248-R1305 IonicContact OE1-NH1 3.74Å; E1248-R1305 PolarHBondContact OE1-NH1 2.88Å; E1248-R1305 IonicContact OE1-NH2 2.73Å; E1248-R1305 PolarHBondContact OE1-NH2 3.19Å; E1248-R1305 IonicContact OE2-CZ 3.13Å; E1248-R1305 IonicContact OE2-NH1 3.36Å; E1248-R1305 PolarHBondContact OE2-NH1 3.26Å; E1248-R1305 IonicContact OE2-NH2 2.69Å; W1298-R1305 HydrophobicContact CB-CB 3.95Å; W1298-R1305 HydrophobicContact CB-CG 3.96Å; W1298-R1305 HydrophobicContact CG-CB 4.03Å; W1298-R1305 HydrophobicContact CG-CG 4.16Å; K1300-R1305 HydrophobicContact CG-CG 4.46Å |
| 1306 | G | 85.5 | Confident | 86.4 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -155.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1212 A1299 | P1212-G1306 WeakPolarHBondContact O-CA 3.46Å; A1299-G1306 PolarHBondContact O-N 3.43Å |
| 1307 | E | 83.3 | Confident | 85.5 | Confident | 122 Ų | 122 | 42.3 Ų | 42.3 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 147.1 | 166.9 | -75 | -148 | 141.3 | 0 | 0 | 112 | K1214 | K1214-E1307 WeakPolarHBondContact CA-O 3.11Å; K1214-E1307 HydrophobicContact CB-CB 3.85Å |
| 1308 | P | 89.5 | Confident | 84.3 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 31% | 0.312 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 157 | 175.2 | 27 | -29.3 | 0 | 0 | 0 | 114 | Y1296 I1297 W1298 | Y1296-P1308 HydrophobicContact CD1-CB 3.95Å; Y1296-P1308 HydrophobicContact CD1-CG 4.47Å; I1297-P1308 CarbonylContact O-C 3.57Å; I1297-P1308 WeakPolarHBondContact O-CA 3.41Å; W1298-P1308 HydrophobicContact CD2-CB 4.11Å; W1298-P1308 HydrophobicContact CG-CB 4.24Å; W1298-P1308 HydrophobicContact CZ2-CB 4.16Å |
| 1309 | N | 88.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 159.8 | 151.2 | -164.5 | -4.3 | 0 | 0 | 0 | 109.3 | V1215 L1218 Y1296 I1297 | V1215-N1309 HydrophobicContact CB-CB 4.46Å; V1215-N1309 VanDerWaalsContact O-CB 3.27Å; V1215-N1309 WeakPolarHBondContact O-CB 3.38Å; V1215-N1309 PolarHBondContact O-ND2 2.99Å; L1218-N1309 HydrophobicContact CB-CB 4.41Å; L1218-N1309 HydrophobicContact CD2-CB 4.42Å; Y1296-N1309 CarbonylContact C-O 3.46Å; Y1296-N1309 WeakPolarHBondContact CA-O 3.39Å; I1297-N1309 HydrophobicContact CG2-CB 4.13Å; I1297-N1309 PolarHBondContact N-O 3.34Å; I1297-N1309 PolarHBondContact O-N 3.18Å |
| 1310 | Y | 88.8 | Confident | 80.9 | Confident | 119 Ų | 119 | 50.4 Ų | 50.4 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.4 | -174.8 | 67.5 | -91.6 | 0 | 0 | 0 | 115 | L1294 L1295 Y1296 | L1294-Y1310 HydrophobicContact CD1-CD2 3.78Å; L1294-Y1310 HydrophobicContact CD1-CG 4.3Å; L1295-Y1310 CarbonylContact O-C 2.86Å; L1295-Y1310 WeakPolarHBondContact O-CA 2.89Å; L1295-Y1310 WeakPolarHBondContact O-CB 3.11Å; Y1296-Y1310 HydrophobicContact CD1-CD1 4.44Å; Y1296-Y1310 HydrophobicContact CD1-CG 4.35Å; Y1296-Y1310 HydrophobicContact CE1-CD1 4.03Å; Y1296-Y1310 HydrophobicContact CE1-CG 4.07Å |
| 1311 | V | 84.8 | Confident | 78.9 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 138.8 | -178.9 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | L1218 I1220 L1295 | L1218-V1311 HydrophobicContact CD2-CB 4.07Å; L1218-V1311 HydrophobicContact CD2-CG1 3.76Å; L1218-V1311 HydrophobicContact CG-CB 4.26Å; L1218-V1311 HydrophobicContact CG-CG1 3.91Å; I1220-V1311 HydrophobicContact CD1-CB 4.47Å; I1220-V1311 HydrophobicContact CD1-CG1 3.79Å; I1220-V1311 HydrophobicContact CD1-CG2 3.84Å; I1220-V1311 HydrophobicContact CG1-CG1 3.96Å; I1220-V1311 HydrophobicContact CG1-CG2 4.1Å; L1295-V1311 HydrophobicContact CB-CG1 3.99Å; L1295-V1311 HydrophobicContact CD2-CG1 4.07Å; L1295-V1311 HydrophobicContact CG-CG1 4.3Å; L1295-V1311 PolarHBondContact N-O 3.26Å; L1295-V1311 PolarHBondContact O-N 3.49Å |
| 1312 | N | 85.4 | Confident | 76.8 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145 | 177.9 | -82 | -68.4 | 0 | 0 | 0 | 111.8 | N1252 Y1293 | N1252-N1312 PolarHBondContact ND2-OD1 3.27Å; Y1293-N1312 WeakPolarHBondContact O-CA 3.38Å |
| 1313 | F | 81.1 | Confident | 74.9 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 171.9 | 175.8 | 68.5 | -83.3 | 0 | 0 | 0 | 113.9 | I1220 I1223 I1228 I1249 L1287 Y1292 Y1293 L1295 T1315 | I1220-F1313 HydrophobicContact CD1-CB 3.54Å; I1220-F1313 HydrophobicContact CD1-CD1 3.53Å; I1220-F1313 HydrophobicContact CD1-CE1 4.43Å; I1220-F1313 HydrophobicContact CD1-CG 3.7Å; I1223-F1313 HydrophobicContact CD1-CB 4.25Å; I1228-F1313 HydrophobicContact CD1-CD1 4.08Å; I1228-F1313 HydrophobicContact CD1-CD2 4.39Å; I1228-F1313 HydrophobicContact CD1-CE1 3.59Å; I1228-F1313 HydrophobicContact CD1-CE2 3.93Å; I1228-F1313 HydrophobicContact CD1-CG 4.46Å; I1228-F1313 HydrophobicContact CD1-CZ 3.5Å; I1228-F1313 HydrophobicContact CG1-CE2 4.4Å; I1228-F1313 HydrophobicContact CG1-CZ 4.27Å; I1228-F1313 HydrophobicContact CG2-CD2 3.59Å; I1228-F1313 HydrophobicContact CG2-CE2 3.45Å; I1228-F1313 VanDerWaalsContact CG2-CE2 3.45Å; I1228-F1313 HydrophobicContact CG2-CG 4.39Å; I1228-F1313 HydrophobicContact CG2-CZ 4.15Å; I1249-F1313 HydrophobicContact CD1-CZ 4.22Å; L1287-F1313 HydrophobicContact CD1-CE2 3.78Å; L1287-F1313 HydrophobicContact CD1-CZ 3.83Å; Y1292-F1313 WeakPolarHBondContact CA-O 3.33Å; Y1293-F1313 HydrophobicContact CD2-CD2 4.26Å; Y1293-F1313 AromaticContact CD2-CE2 3.47Å; Y1293-F1313 HydrophobicContact CD2-CE2 3.47Å; Y1293-F1313 VanDerWaalsContact CD2-CE2 3.47Å; Y1293-F1313 AromaticContact CD2-CZ 3.75Å; Y1293-F1313 HydrophobicContact CD2-CZ 3.75Å; Y1293-F1313 HydrophobicContact CE2-CE2 4.45Å; Y1293-F1313 HydrophobicContact CG-CE1 4.33Å; Y1293-F1313 AromaticContact CG-CE2 3.88Å; Y1293-F1313 HydrophobicContact CG-CE2 3.88Å; Y1293-F1313 AromaticContact CG-CZ 3.67Å; Y1293-F1313 HydrophobicContact CG-CZ 3.67Å; Y1293-F1313 PolarHBondContact N-O 2.6Å; Y1293-F1313 PolarHBondContact O-N 3.48Å; L1295-F1313 HydrophobicContact CB-CE1 4.2Å; F1313-T1315 HydrophobicContact CE2-CG2 4.22Å |
| 1314 | R | 80.9 | Confident | 73.6 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.5 | 172.9 | -171.4 | -168.6 | -177.7 | 171.5 | -8.7 | 108.7 | I1223 N1290 T1291 Y1292 D1321 | I1223-R1314 WeakPolarHBondContact CG2-O 3.13Å; N1290-R1314 VanDerWaalsContact OD1-CZ 3.27Å; N1290-R1314 PolarHBondContact OD1-NE 3.15Å; N1290-R1314 PolarHBondContact OD1-NH2 3.15Å; T1291-R1314 WeakPolarHBondContact O-CA 3.07Å; Y1292-R1314 HydrophobicContact CD1-CB 3.69Å; Y1292-R1314 HydrophobicContact CD1-CG 3.93Å; Y1292-R1314 HydrophobicContact CD2-CG 4.33Å; Y1292-R1314 HydrophobicContact CE1-CB 3.73Å; Y1292-R1314 HydrophobicContact CE1-CG 3.87Å; Y1292-R1314 HydrophobicContact CE2-CG 4.27Å; Y1292-R1314 HydrophobicContact CG-CB 4.33Å; Y1292-R1314 HydrophobicContact CG-CG 4.17Å; Y1292-R1314 PolarHBondContact OH-NH1 2.87Å; R1314-D1321 IonicContact NH2-OD2 3.1Å |
| 1315 | T | 80 | Confident | 72.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 167.8 | 173.8 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | L1287 K1288 M1289 N1290 T1291 Y1293 F1313 | L1287-T1315 HydrophobicContact CB-CG2 3.9Å; L1287-T1315 HydrophobicContact CD1-CG2 4.29Å; K1288-T1315 WeakPolarHBondContact O-CB 3.05Å; K1288-T1315 WeakPolarHBondContact O-CG2 3.26Å; K1288-T1315 PolarHBondContact O-OG1 2.93Å; M1289-T1315 VanDerWaalsContact C-OG1 3.29Å; N1290-T1315 PolarHBondContact N-OG1 3.39Å; T1291-T1315 PolarHBondContact N-OG1 3.39Å; T1291-T1315 PolarHBondContact O-N 3.21Å; T1291-T1315 PolarHBondContact O-OG1 2.89Å; Y1293-T1315 HydrophobicContact CD2-CG2 4.2Å; Y1293-T1315 HydrophobicContact CE2-CG2 3.93Å; F1313-T1315 HydrophobicContact CE2-CG2 4.22Å |
| 1316 | A | 71.1 | Confident | 71.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 142.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1224 V1225 M1289 N1290 S1455 V1457 | G1224-A1316 PolarHBondContact O-N 3.29Å; G1224-A1316 VanDerWaalsContact O-N 3.09Å; V1225-A1316 HydrophobicContact CB-CB 4.35Å; V1225-A1316 HydrophobicContact CG2-CB 4.18Å; M1289-A1316 WeakPolarHBondContact CG-O 2.94Å; N1290-A1316 WeakPolarHBondContact CA-O 3.2Å; N1290-A1316 PolarHBondContact N-O 3.16Å; A1316-S1455 CarbonylContact C-O 3.36Å; A1316-S1455 WeakPolarHBondContact CA-O 3.08Å; A1316-S1455 WeakPolarHBondContact CB-O 3.49Å; A1316-S1455 WeakPolarHBondContact CB-OG 3.42Å; A1316-V1457 HydrophobicContact CB-CG2 3.92Å |
| 1317 | T | 71.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 158.1 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | M1289 Y1322 Q1454 S1455 I1456 V1457 | M1289-T1317 VanDerWaalsContact CE-C 3.41Å; M1289-T1317 WeakPolarHBondContact CE-O 3.17Å; T1317-Y1322 HydrophobicContact CG2-CE2 4.05Å; T1317-Y1322 WeakPolarHBondContact OG1-CE2 3.28Å; T1317-Q1454 VanDerWaalsContact CG2-NE2 3.29Å; T1317-S1455 PolarHBondContact N-O 3.02Å; T1317-I1456 CarbonylContact O-C 3.02Å; T1317-I1456 WeakPolarHBondContact O-CA 3.35Å; T1317-V1457 PolarHBondContact O-N 3.47Å |
| 1318 | L | 67.1 | Low | 71.2 | Confident | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.9 | 170.4 | -165 | 66.7 | 0 | 0 | 0 | 108.3 | M1289 H1320 V1457 | M1289-L1318 HydrophobicContact CE-CB 3.77Å; M1289-L1318 HydrophobicContact CE-CD1 3.91Å; M1289-L1318 HydrophobicContact CE-CG 4.45Å; L1318-H1320 WeakPolarHBondContact CD2-ND1 3.08Å; L1318-H1320 PolarHBondContact O-N 3.31Å; L1318-V1457 HydrophobicContact CD1-CB 4.28Å; L1318-V1457 HydrophobicContact CD1-CG1 4.44Å |
| 1319 | S | 59.3 | Low | 70.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 26.9 | -172.3 | 76.4 | 0 | 0 | 0 | 0 | 115.8 | G1323 V1457 H1459 | S1319-G1323 CarbonylContact O-C 3.57Å; S1319-V1457 WeakPolarHBondContact CB-O 3.24Å; S1319-V1457 PolarHBondContact N-O 3.16Å; S1319-H1459 PolarHBondContact OG-CD2 3.23Å |
| 1320 | H | 54.6 | Low | 70.2 | Confident | 122 Ų | 122 | 49.7 Ų | 49.7 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -37.5 | 170.9 | -67.8 | 64.5 | 0 | 0 | 0 | 110.5 | L1318 H1459 | L1318-H1320 WeakPolarHBondContact CD2-ND1 3.08Å; L1318-H1320 PolarHBondContact O-N 3.31Å; H1320-H1459 AromaticContact CE1-CE1 3.25Å; H1320-H1459 PolarHBondContact CE1-CE1 3.24Å; H1320-H1459 AromaticContact CE1-ND1 3.88Å; H1320-H1459 AromaticContact CE1-NE2 3.9Å; H1320-H1459 AromaticContact ND1-CE1 3.93Å; H1320-H1459 AromaticContact NE2-CE1 3.52Å |
| 1321 | D | 47.8 | Very low | 69.3 | Low | 101 Ų | 101 | 49 Ų | 49 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -82.3 | -19.5 | -176.4 | -57.8 | -10.7 | 0 | 0 | 0 | 113.9 | R1314 | R1314-D1321 IonicContact NH2-OD2 3.1Š|
| 1322 | Y | 46.1 | Very low | 68.3 | Low | 103 Ų | 103 | 49.7 Ų | 49.7 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124.1 | 12.9 | -168.1 | -66.9 | -87.6 | 0 | 0 | 0 | 114.3 | T1317 Q1454 I1456 | T1317-Y1322 HydrophobicContact CG2-CE2 4.05Å; T1317-Y1322 WeakPolarHBondContact OG1-CE2 3.28Å; Y1322-Q1454 PolarHBondContact OH-NE2 3.19Å; Y1322-Q1454 PolarHBondContact OH-OE1 2.94Å; Y1322-Q1454 VanDerWaalsContact OH-OE1 3.06Å; Y1322-I1456 HydrophobicContact CD1-CD1 4.19Å; Y1322-I1456 HydrophobicContact CD2-CD1 4.39Å; Y1322-I1456 HydrophobicContact CG-CD1 3.87Å |
| 1323 | G | 48.6 | Very low | 66.7 | Low | 42 Ų | 42 | 54 Ų | 54 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | 81.8 | 154.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1319 I1325 | S1319-G1323 CarbonylContact O-C 3.57Å; G1323-I1325 PolarHBondContact O-N 2.66Å; G1323-I1325 VanDerWaalsContact O-N 3.11Å | ||
| 1324 | Y | 57.4 | Low | 65.4 | Low | 102 Ų | 102 | 61 Ų | 61 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | trans | -67.9 | 106.8 | -175.4 | -176.8 | -91.4 | 0 | 0 | 0 | 111.5 | P1326 H1459 K1461 | Y1324-P1326 HydrophobicContact CD1-CB 3.93Å; Y1324-P1326 HydrophobicContact CE1-CB 4.07Å; Y1324-P1326 WeakPolarHBondContact O-CD 3.33Å; Y1324-H1459 AromaticContact CD2-CD2 3.47Å; Y1324-H1459 VanDerWaalsContact CD2-CD2 3.47Å; Y1324-H1459 WeakPolarHBondContact CD2-CD2 3.27Å; Y1324-H1459 AromaticContact CD2-NE2 3.9Å; Y1324-H1459 HydrophobicContact CE2-CB 4.38Å; Y1324-H1459 AromaticContact CE2-CD2 3.69Å; Y1324-K1461 WeakPolarHBondContact OH-CE 3.39Å; Y1324-K1461 PolarHBondContact OH-NZ 3.34Å | ||
| 1325 | I | 64.6 | Low | 64.4 | Low | 18 Ų | 18 | 63.7 Ų | 63.7 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | trans | -61.1 | 105.8 | 170.4 | -61.5 | 164.5 | 0 | 0 | 0 | 107.9 | G1323 L1343 I1456 | G1323-I1325 PolarHBondContact O-N 2.66Å; G1323-I1325 VanDerWaalsContact O-N 3.11Å; I1325-L1343 HydrophobicContact CG2-CD2 4.02Å; I1325-I1456 HydrophobicContact CD1-CB 4.04Å; I1325-I1456 HydrophobicContact CD1-CG2 3.78Å | ||
| 1326 | P | 69 | Low | 63.4 | Low | 25 Ų | 25 | 68.2 Ų | 68.2 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | trans | -91.2 | 124.2 | -169.9 | 25.3 | -12.2 | 0 | 0 | 0 | 109.2 | Y1324 K1344 P1346 | Y1324-P1326 HydrophobicContact CD1-CB 3.93Å; Y1324-P1326 HydrophobicContact CE1-CB 4.07Å; Y1324-P1326 WeakPolarHBondContact O-CD 3.33Å; P1326-K1344 HydrophobicContact CB-CB 3.99Å; P1326-K1344 HydrophobicContact CB-CD 4.38Å; P1326-K1344 HydrophobicContact CG-CB 4.04Å; P1326-K1344 WeakPolarHBondContact CG-O 3.24Å; P1326-K1344 WeakPolarHBondContact O-CB 3Å; P1326-K1344 PolarHBondContact O-N 2.78Å; P1326-P1346 HydrophobicContact CG-CB 4.47Å | ||
| 1327 | F | 79.5 | Confident | 63.4 | Low | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.8 | 176.6 | 68.2 | -80.3 | 0 | 0 | 0 | 112.4 | I1329 L1341 T1342 I1446 S1458 K1461 | F1327-I1329 HydrophobicContact CD2-CG1 4.09Å; F1327-I1329 HydrophobicContact CE2-CD1 4.05Å; F1327-I1329 HydrophobicContact CE2-CG1 4.05Å; F1327-L1341 HydrophobicContact CD2-CD2 3.93Å; F1327-L1341 HydrophobicContact CE2-CD2 3.88Å; F1327-T1342 WeakPolarHBondContact CA-O 3.45Å; F1327-I1446 HydrophobicContact CB-CD1 3.48Å; F1327-I1446 VanDerWaalsContact CB-CD1 3.48Å; F1327-I1446 HydrophobicContact CB-CG1 4.42Å; F1327-I1446 HydrophobicContact CD1-CD1 4.15Å; F1327-I1446 HydrophobicContact CD1-CG1 4.21Å; F1327-I1446 HydrophobicContact CD2-CD1 3.97Å; F1327-I1446 HydrophobicContact CD2-CG1 4.23Å; F1327-I1446 HydrophobicContact CE2-CG1 4.49Å; F1327-I1446 HydrophobicContact CG-CD1 3.64Å; F1327-I1446 HydrophobicContact CG-CG1 4.07Å; F1327-S1458 WeakPolarHBondContact CE1-OG 3.07Å; F1327-K1461 HydrophobicContact CD2-CD 4.34Å; F1327-K1461 HydrophobicContact CE1-CD 4.09Å; F1327-K1461 HydrophobicContact CE1-CG 4.22Å; F1327-K1461 HydrophobicContact CE2-CB 4.32Å; F1327-K1461 HydrophobicContact CE2-CD 3.71Å; F1327-K1461 HydrophobicContact CE2-CG 4.1Å; F1327-K1461 HydrophobicContact CZ-CB 4.04Å; F1327-K1461 HydrophobicContact CZ-CD 3.57Å; F1327-K1461 HydrophobicContact CZ-CG 3.58Å; F1327-K1461 PolarHBondContact O-NZ 3.28Å |
| 1328 | T | 79.7 | Confident | 63.8 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 29% | 0.288 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.3 | 173.4 | 32.6 | 0 | 0 | 0 | 0 | 109.7 | T1342 K1344 | T1328-T1342 PolarHBondContact N-O 3.31Å; T1328-T1342 PolarHBondContact O-N 3.41Å; T1328-T1342 PolarHBondContact OG1-O 3.37Å; T1328-K1344 HydrophobicContact CG2-CD 4.22Å; T1328-K1344 HydrophobicContact CG2-CG 4.4Å |
| 1329 | I | 80.4 | Confident | 64.5 | Low | 45 Ų | 45 | 68.6 Ų | 68.6 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.2 | 167.8 | -54 | 177.2 | 0 | 0 | 0 | 105.9 | F1327 I1339 N1340 L1341 I1444 K1461 I1463 | F1327-I1329 HydrophobicContact CD2-CG1 4.09Å; F1327-I1329 HydrophobicContact CE2-CD1 4.05Å; F1327-I1329 HydrophobicContact CE2-CG1 4.05Å; I1329-I1339 HydrophobicContact CG2-CB 3.82Å; I1329-I1339 HydrophobicContact CG2-CD1 3.79Å; I1329-I1339 HydrophobicContact CG2-CG1 4.22Å; I1329-I1339 HydrophobicContact CG2-CG2 4.15Å; I1329-N1340 WeakPolarHBondContact CA-O 3.14Å; I1329-L1341 HydrophobicContact CD1-CD2 4.15Å; I1329-L1341 HydrophobicContact CG1-CD2 3.85Å; I1329-L1341 HydrophobicContact CG1-CG 4.07Å; I1329-I1444 HydrophobicContact CD1-CD1 4.43Å; I1329-K1461 HydrophobicContact CD1-CB 4.24Å; I1329-K1461 HydrophobicContact CD1-CD 4.5Å; I1329-I1463 HydrophobicContact CD1-CG2 3.43Å; I1329-I1463 VanDerWaalsContact CD1-CG2 3.43Å |
| 1330 | T | 76.8 | Confident | 65.7 | Low | 64 Ų | 64 | 70.1 Ų | 70.1 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.9 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | I1339 N1340 | T1330-I1339 CarbonylContact O-C 3.51Å; T1330-I1339 WeakPolarHBondContact O-CA 3.39Å; T1330-N1340 PolarHBondContact N-O 2.98Å; T1330-N1340 PolarHBondContact O-N 3.36Å; T1330-N1340 PolarHBondContact OG1-O 3.01Å |
| 1331 | S | 69 | Low | 67.2 | Low | 104 Ų | 104 | 64.3 Ų | 64.3 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.2 | 168.2 | 47.9 | 0 | 0 | 0 | 0 | 109 | Q1333 | S1331-Q1333 PolarHBondContact O-N 2.84Å |
| 1332 | I | 64.9 | Low | 68.8 | Low | 45 Ų | 45 | 61.2 Ų | 61.2 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 120.5 | 177 | -58.6 | 178.2 | 0 | 0 | 0 | 107.3 | D1334 H1335 S1338 N1340 V1432 | I1332-D1334 PolarHBondContact O-N 2.73Å; I1332-H1335 HydrophobicContact CB-CB 4.11Å; I1332-H1335 HydrophobicContact CG2-CB 4.08Å; I1332-H1335 PolarHBondContact O-N 3.2Å; I1332-H1335 VanDerWaalsContact O-N 3.08Å; I1332-S1338 PolarHBondContact N-O 2.94Å; I1332-N1340 HydrophobicContact CD1-CB 4.03Å; I1332-N1340 HydrophobicContact CG1-CB 3.89Å; I1332-V1432 HydrophobicContact CD1-CB 4.23Å; I1332-V1432 HydrophobicContact CD1-CG1 3.43Å; I1332-V1432 VanDerWaalsContact CD1-CG1 3.43Å; I1332-V1432 HydrophobicContact CD1-CG2 3.71Å |
| 1333 | Q | 50.2 | Low | 70.1 | Confident | 177 Ų | 177 | 57.1 Ų | 57.1 | 83% | 0.827 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 141.7 | 173.2 | -68 | -175.5 | -78 | 0 | 0 | 109.3 | S1331 H1335 | S1331-Q1333 PolarHBondContact O-N 2.84Å; Q1333-H1335 PolarHBondContact O-N 3.24Å |
| 1334 | D | 54.4 | Low | 70.9 | Confident | 161 Ų | 161 | 60.8 Ų | 60.8 | 86% | 0.861 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 5.6 | -172.8 | -49.2 | -34.8 | 0 | 0 | 0 | 116.8 | I1332 | I1332-D1334 PolarHBondContact O-N 2.73Š|
| 1335 | H | 59.5 | Low | 70.7 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | trans | -130.2 | 88.3 | 176.9 | -72.9 | -7.4 | 0 | 0 | 0 | 114 | I1332 Q1333 N1337 S1338 | I1332-H1335 HydrophobicContact CB-CB 4.11Å; I1332-H1335 HydrophobicContact CG2-CB 4.08Å; I1332-H1335 PolarHBondContact O-N 3.2Å; I1332-H1335 VanDerWaalsContact O-N 3.08Å; Q1333-H1335 PolarHBondContact O-N 3.24Å; H1335-N1337 PolarHBondContact O-N 3.04Å; H1335-S1338 PolarHBondContact O-N 3.38Å; H1335-S1338 VanDerWaalsContact O-N 3.15Å | ||
| 1336 | V | 58.9 | Low | 69.6 | Low | 95 Ų | 95 | 64.3 Ų | 64.3 | 58% | 0.576 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.6 | -173.9 | -171 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1337 | N | 71.9 | Confident | 67.7 | Low | 48 Ų | 48 | 71.3 Ų | 71.3 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 17.3 | -178.3 | -74.4 | 67.3 | 0 | 0 | 0 | 113.3 | H1335 N1435 L1436 K1438 | H1335-N1337 PolarHBondContact O-N 3.04Å; N1337-N1435 PolarHBondContact O-N 2.8Å; N1337-L1436 PolarHBondContact ND2-O 2.68Å; N1337-L1436 PolarHBondContact O-N 2.59Å; N1337-L1436 VanDerWaalsContact O-N 3.16Å; N1337-K1438 WeakPolarHBondContact ND2-CG 3.29Å; N1337-K1438 WeakPolarHBondContact OD1-CE 3.4Å |
| 1338 | S | 79.2 | Confident | 65.2 | Low | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.112 | 42% | 0.42 | C | S | . | . | trans | -131 | 139.9 | -173.5 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | I1332 H1335 L1433 | I1332-S1338 PolarHBondContact N-O 2.94Å; H1335-S1338 PolarHBondContact O-N 3.38Å; H1335-S1338 VanDerWaalsContact O-N 3.15Å; S1338-L1433 VanDerWaalsContact CA-O 3.31Å; S1338-L1433 WeakPolarHBondContact CA-O 3.33Å | ||
| 1339 | I | 83.2 | Confident | 62.7 | Low | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.3 | 175.9 | 62.4 | -177 | 0 | 0 | 0 | 110.1 | I1329 T1330 L1341 V1432 L1433 L1436 I1444 I1463 I1465 | I1329-I1339 HydrophobicContact CG2-CB 3.82Å; I1329-I1339 HydrophobicContact CG2-CD1 3.79Å; I1329-I1339 HydrophobicContact CG2-CG1 4.22Å; I1329-I1339 HydrophobicContact CG2-CG2 4.15Å; T1330-I1339 CarbonylContact O-C 3.51Å; T1330-I1339 WeakPolarHBondContact O-CA 3.39Å; I1339-L1341 HydrophobicContact CD1-CD1 3.95Å; I1339-L1341 HydrophobicContact CG1-CD1 3.92Å; I1339-V1432 CarbonylContact O-C 3.47Å; I1339-V1432 WeakPolarHBondContact O-CA 3.42Å; I1339-L1433 HydrophobicContact CD1-CB 4.38Å; I1339-L1433 HydrophobicContact CD1-CD1 4.29Å; I1339-L1433 HydrophobicContact CG1-CB 3.89Å; I1339-L1433 PolarHBondContact N-O 3.17Å; I1339-L1433 PolarHBondContact O-N 3.48Å; I1339-L1436 HydrophobicContact CD1-CD1 3.47Å; I1339-L1436 VanDerWaalsContact CD1-CD1 3.47Å; I1339-L1436 HydrophobicContact CG1-CD1 3.74Å; I1339-I1444 HydrophobicContact CD1-CD1 3.72Å; I1339-I1463 HydrophobicContact CD1-CD1 3.28Å; I1339-I1465 HydrophobicContact CG2-CD1 4.3Å |
| 1340 | N | 84.7 | Confident | 60.1 | Low | 35 Ų | 35 | 82.2 Ų | 82.2 | 19% | 0.187 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.7 | 171.7 | 178.7 | 6.6 | 0 | 0 | 0 | 108.8 | I1329 T1330 I1332 T1342 W1430 V1432 | I1329-N1340 WeakPolarHBondContact CA-O 3.14Å; T1330-N1340 PolarHBondContact N-O 2.98Å; T1330-N1340 PolarHBondContact O-N 3.36Å; T1330-N1340 PolarHBondContact OG1-O 3.01Å; I1332-N1340 HydrophobicContact CD1-CB 4.03Å; I1332-N1340 HydrophobicContact CG1-CB 3.89Å; N1340-T1342 PolarHBondContact ND2-OG1 2.85Å; N1340-T1342 PolarHBondContact OD1-OG1 3.04Å; N1340-W1430 WeakPolarHBondContact OD1-CB 3.11Å; N1340-V1432 HydrophobicContact CB-CG2 4.04Å |
| 1341 | L | 85.4 | Confident | 57.6 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 100 | 170 | -69.2 | 105 | 0 | 0 | 0 | 108.9 | F1327 I1329 I1339 V1409 W1430 I1431 L1433 I1444 | F1327-L1341 HydrophobicContact CD2-CD2 3.93Å; F1327-L1341 HydrophobicContact CE2-CD2 3.88Å; I1329-L1341 HydrophobicContact CD1-CD2 4.15Å; I1329-L1341 HydrophobicContact CG1-CD2 3.85Å; I1329-L1341 HydrophobicContact CG1-CG 4.07Å; I1339-L1341 HydrophobicContact CD1-CD1 3.95Å; I1339-L1341 HydrophobicContact CG1-CD1 3.92Å; L1341-V1409 HydrophobicContact CB-CG2 4.19Å; L1341-V1409 HydrophobicContact CD1-CG1 4.38Å; L1341-V1409 HydrophobicContact CD1-CG2 4.37Å; L1341-V1409 HydrophobicContact CD2-CG1 4.17Å; L1341-V1409 HydrophobicContact CD2-CG2 4.29Å; L1341-W1430 CarbonylContact O-C 3.16Å; L1341-W1430 VanDerWaalsContact O-CA 3.26Å; L1341-W1430 WeakPolarHBondContact O-CA 3.36Å; L1341-I1431 PolarHBondContact N-O 3.31Å; L1341-I1431 PolarHBondContact O-N 3.4Å; L1341-L1433 HydrophobicContact CD1-CB 4.28Å; L1341-L1433 HydrophobicContact CD1-CD1 3.71Å; L1341-L1433 HydrophobicContact CD1-CG 3.64Å; L1341-I1444 HydrophobicContact CD2-CG2 3.53Å |
| 1342 | T | 81.2 | Confident | 55.5 | Low | 36 Ų | 36 | 90 Ų | 90 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.3 | 175.1 | -47.7 | 0 | 0 | 0 | 0 | 109.2 | F1327 T1328 N1340 K1344 W1430 | F1327-T1342 WeakPolarHBondContact CA-O 3.45Å; T1328-T1342 PolarHBondContact N-O 3.31Å; T1328-T1342 PolarHBondContact O-N 3.41Å; T1328-T1342 PolarHBondContact OG1-O 3.37Å; N1340-T1342 PolarHBondContact ND2-OG1 2.85Å; N1340-T1342 PolarHBondContact OD1-OG1 3.04Å; T1342-K1344 PolarHBondContact O-N 2.81Å; T1342-W1430 HydrophobicContact CG2-CB 4.23Å |
| 1343 | L | 74 | Confident | 53.6 | Low | 17 Ų | 17 | 94.7 Ų | 94.7 | 9% | 0.089 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 126.4 | 162.1 | -82.4 | 88.1 | 0 | 0 | 0 | 107.8 | I1325 T1345 F1407 S1429 I1446 Y1448 | I1325-L1343 HydrophobicContact CG2-CD2 4.02Å; L1343-T1345 PolarHBondContact O-N 3.11Å; L1343-F1407 HydrophobicContact CD1-CD1 3.75Å; L1343-F1407 HydrophobicContact CD1-CD2 3.48Å; L1343-F1407 VanDerWaalsContact CD1-CD2 3.48Å; L1343-F1407 HydrophobicContact CD1-CE1 3.6Å; L1343-F1407 HydrophobicContact CD1-CE2 3.31Å; L1343-F1407 HydrophobicContact CD1-CG 3.69Å; L1343-F1407 HydrophobicContact CD1-CZ 3.39Å; L1343-S1429 PolarHBondContact N-O 2.76Å; L1343-I1446 HydrophobicContact CD1-CD1 3.64Å; L1343-I1446 HydrophobicContact CD1-CG2 4.16Å; L1343-I1446 HydrophobicContact CG-CD1 3.99Å; L1343-Y1448 HydrophobicContact CD2-CD2 3.98Å; L1343-Y1448 HydrophobicContact CD2-CE2 4.46Å |
| 1344 | K | 65.8 | Low | 52.5 | Low | 119 Ų | 119 | 93.7 Ų | 93.7 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 120.9 | 157 | -73.4 | 176.6 | 159.8 | 176.6 | 0 | 106.3 | P1326 T1328 T1342 | P1326-K1344 HydrophobicContact CB-CB 3.99Å; P1326-K1344 HydrophobicContact CB-CD 4.38Å; P1326-K1344 HydrophobicContact CG-CB 4.04Å; P1326-K1344 WeakPolarHBondContact CG-O 3.24Å; P1326-K1344 WeakPolarHBondContact O-CB 3Å; P1326-K1344 PolarHBondContact O-N 2.78Å; T1328-K1344 HydrophobicContact CG2-CD 4.22Å; T1328-K1344 HydrophobicContact CG2-CG 4.4Å; T1342-K1344 PolarHBondContact O-N 2.81Å |
| 1345 | T | 51.4 | Low | 51.1 | Low | 88 Ų | 88 | 89.4 Ų | 89.4 | 54% | 0.54 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 126.3 | 163.3 | 41.9 | 0 | 0 | 0 | 0 | 109 | L1343 F1347 | L1343-T1345 PolarHBondContact O-N 3.11Å; T1345-F1347 PolarHBondContact O-N 3.4Å; T1345-F1347 VanDerWaalsContact OG1-CD2 3.32Å; T1345-F1347 WeakPolarHBondContact OG1-CD2 3.25Å; T1345-F1347 WeakPolarHBondContact OG1-CE2 3.41Å |
| 1346 | P | 42.5 | Very low | 49.5 | Very low | 106 Ų | 106 | 91.7 Ų | 91.7 | 69% | 0.688 | 48% | 0.484 | S | S | * | . | trans | -75 | 70.8 | -177.8 | 30.8 | -35.5 | 0 | 0 | 0 | 111.2 | P1326 S1348 | P1326-P1346 HydrophobicContact CG-CB 4.47Å; P1346-S1348 PolarHBondContact O-N 3.04Å | ||
| 1347 | F | 28.7 | Very low | 47.8 | Very low | 171 Ų | 171 | 91.3 Ų | 91.3 | 75% | 0.75 | 49% | 0.485 | S | S | * | . | trans | -69.8 | 122.6 | 167.7 | -82.7 | -80.5 | 0 | 0 | 0 | 109.8 | T1345 | T1345-F1347 PolarHBondContact O-N 3.4Å; T1345-F1347 VanDerWaalsContact OG1-CD2 3.32Å; T1345-F1347 WeakPolarHBondContact OG1-CD2 3.25Å; T1345-F1347 WeakPolarHBondContact OG1-CE2 3.41Å | ||
| 1348 | S | 26.9 | Very low | 45.7 | Very low | 109 Ų | 109 | 94.9 Ų | 94.9 | 76% | 0.762 | 51% | 0.505 | S | S | * | . | trans | 49 | 71 | 168.2 | 61.4 | 0 | 0 | 0 | 0 | 116.1 | P1346 | P1346-S1348 PolarHBondContact O-N 3.04Š| ||
| 1349 | L | 26.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 101.4 Ų | 101.4 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | trans | -101.2 | 66.8 | 152.6 | -111.3 | 162.7 | 0 | 0 | 0 | 109.4 | ||||
| 1350 | S | 25.8 | Very low | 40.5 | Very low | 94 Ų | 94 | 105.9 Ų | 105.9 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | trans | -70.9 | 136.7 | 164.8 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1351 | N | 24.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 111.1 Ų | 111.1 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | trans | 57.2 | 89.1 | 174.5 | -58.2 | 6.9 | 0 | 0 | 0 | 114.7 | Q577 | Q577-N1351 PolarHBondContact NE2-OD1 3.31Š| ||
| 1352 | Y | 25.7 | Very low | 34.9 | Very low | 215 Ų | 215 | 117.5 Ų | 117.5 | 84% | 0.843 | 63% | 0.632 | S | S | * | * | trans | -138.5 | 120.4 | 142 | -117.4 | -83.1 | 0 | 0 | 0 | 109.2 | ||||
| 1353 | D | 25.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | trans | -76.2 | 151.8 | 179.3 | -55.3 | -88.6 | 0 | 0 | 0 | 111.8 | ||||
| 1354 | L | 26.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | trans | -164.4 | 60 | 147.9 | -106.3 | 172.4 | 0 | 0 | 0 | 109.8 | K1356 | L1354-K1356 CarbonylContact C-O 3.45Å; L1354-K1356 WeakPolarHBondContact CD2-O 3.42Å | ||
| 1355 | N | 24.9 | Very low | 28.5 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 37% | 0.374 | 69% | 0.685 | S | S | . | * | trans | -95.5 | 113.6 | 167.5 | -152.9 | -14.3 | 0 | 0 | 0 | 107.2 | I581 | I581-N1355 HydrophobicContact CD1-CB 4.35Å; I581-N1355 WeakPolarHBondContact CD1-ND2 3.26Å | ||
| 1356 | K | 26.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 128 Ų | 128 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | trans | 75.6 | 151 | -148.9 | -50.5 | 164.6 | -174.2 | 169.9 | 0 | 111.2 | L1354 | L1354-K1356 CarbonylContact C-O 3.45Å; L1354-K1356 WeakPolarHBondContact CD2-O 3.42Å | ||
| 1357 | S | 24.6 | Very low | 27 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | cis | -146 | 179.1 | 25.8 | 59.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1358 | D | 25.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | trans | 74.4 | 83.7 | 152.7 | -50.6 | -36.9 | 0 | 0 | 0 | 120 | ||||
| 1359 | L | 28.9 | Very low | 27 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 80% | 0.801 | 69% | 0.691 | S | S | * | * | 22.6 | 132 | 106.1 | -65.1 | 79.4 | 0 | 0 | 0 | 117.1 | |||||
| 1360 | S | 25.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | trans | -154 | 137.6 | 135.7 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1361 | N | 25.4 | Very low | 27 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | 67 | 130.9 | 147.9 | -60 | 17.8 | 0 | 0 | 0 | 119 | ||||
| 1362 | D | 27.1 | Very low | 27 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | cis | -163.7 | 178.1 | -11.1 | -135.9 | -39.4 | 0 | 0 | 0 | 113.4 | ||||
| 1363 | S | 29.3 | Very low | 27 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | 79.3 | 109.2 | 148.5 | 67 | 0 | 0 | 0 | 0 | 120 | ||||
| 1364 | T | 29 | Very low | 27 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | 70.4 | 136.3 | 127.1 | 61.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1365 | D | 28.2 | Very low | 27 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | cis | -161.7 | 161.7 | -5 | -124.3 | -32.3 | 0 | 0 | 0 | 116.4 | ||||
| 1366 | H | 32.8 | Very low | 27.1 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 62.2 | 149.9 | 150.4 | -67.6 | 8.8 | 0 | 0 | 0 | 120.1 | ||||
| 1367 | S | 29 | Very low | 27.1 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | cis | -170.5 | 165 | -20.8 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1368 | T | 27.8 | Very low | 27.7 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | 66.6 | 144.6 | 165.2 | 69 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1369 | T | 27.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | cis | -172.2 | 160.6 | -15.2 | 29.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1370 | S | 26.5 | Very low | 27.3 | Very low | 84 Ų | 84 | 121 Ų | 121 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | cis | -173.1 | -167.4 | -18.4 | 58.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1371 | F | 26.4 | Very low | 27.2 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | 68.4 | 140.2 | 179.1 | -66.2 | -92.1 | 0 | 0 | 0 | 118 | ||||
| 1372 | S | 25.6 | Very low | 27 | Very low | 83 Ų | 83 | 122.3 Ų | 122.3 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | cis | -170.1 | 129.1 | -24.2 | 47 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1373 | W | 25.4 | Very low | 26.8 | Very low | 233 Ų | 233 | 121.8 Ų | 121.8 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 64.6 | 145.9 | 138.4 | -67.2 | 54.6 | 0 | 0 | 0 | 119.2 | ||||
| 1374 | T | 25.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | cis | -168.6 | 153.8 | -5.5 | 15.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1375 | S | 26.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | 53.8 | 157.2 | 148.6 | 62 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1376 | S | 26.2 | Very low | 25.9 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | cis | -160.2 | 148.3 | 11.2 | 24.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1377 | S | 27.7 | Very low | 25.5 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | cis | 76.2 | 147.8 | 43.5 | 83.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1378 | P | 35.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | cis | -150 | -162.6 | -34.8 | 38.1 | -15.5 | 0 | 0 | 0 | 115.5 | ||||
| 1379 | T | 24.4 | Very low | 25.2 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | trans | 87.9 | 141.5 | 139 | 43.8 | 0 | 0 | 0 | 0 | 127 | ||||
| 1380 | V | 23.1 | Very low | 25.2 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 66% | 0.655 | 67% | 0.673 | S | S | * | * | trans | 76.5 | 146.5 | 152.4 | -112.2 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1381 | F | 22.5 | Very low | 25.3 | Very low | 176 Ų | 176 | 119.1 Ų | 119.1 | 77% | 0.772 | 67% | 0.67 | S | S | * | * | trans | 66.8 | 107.4 | 156 | -63.7 | -52.4 | 0 | 0 | 0 | 118.4 | ||||
| 1382 | T | 21.7 | Very low | 25.5 | Very low | 103 Ų | 103 | 116 Ų | 116 | 63% | 0.632 | 66% | 0.661 | S | S | * | * | 100.2 | 137.7 | 50.9 | 49.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 1383 | T | 21.8 | Very low | 25.7 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | 62.9 | 148.7 | 159.1 | 50.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1384 | E | 22.4 | Very low | 26 | Very low | 148 Ų | 148 | 112.2 Ų | 112.2 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | cis | -158.9 | 174.5 | 2.5 | -128.2 | 172.6 | 177.2 | 0 | 0 | 112.1 | ||||
| 1385 | Q | 22.6 | Very low | 26.2 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | trans | 12.4 | 149.7 | 139.2 | -69.9 | 174.1 | 51.6 | 0 | 0 | 120.8 | ||||
| 1386 | S | 24 | Very low | 26.3 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | cis | -177.6 | 170.1 | -3.3 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1387 | T | 24.8 | Very low | 26.5 | Very low | 106 Ų | 106 | 115 Ų | 115 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | trans | 41.2 | 137.4 | 141.8 | 66.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1388 | N | 23.7 | Very low | 26.5 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 46% | 0.46 | 65% | 0.645 | S | S | . | * | -164.7 | 145.4 | 59.4 | -85.2 | -73.9 | 0 | 0 | 0 | 115.6 | L1480 | N1388-L1480 VanDerWaalsContact CG-O 3.26Å; N1388-L1480 PolarHBondContact OD1-O 3.48Å | |||
| 1389 | T | 25.7 | Very low | 26.1 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | trans | -35.2 | 156.1 | 147.6 | 54.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1390 | S | 28.6 | Very low | 26.2 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 49% | 0.49 | 65% | 0.645 | S | S | . | * | cis | -172.8 | 176.5 | 43.5 | 49.4 | 0 | 0 | 0 | 0 | 109.1 | F1482 | S1390-F1482 VanDerWaalsContact OG-CD2 3.32Å; S1390-F1482 WeakPolarHBondContact OG-CD2 3.16Å | ||
| 1391 | N | 28.5 | Very low | 26.4 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | -180 | 146.7 | 52.7 | -123.5 | -15.5 | 0 | 0 | 0 | 112.7 | F1482 | N1391-F1482 HydrophobicContact CB-CE2 4.15Å; N1391-F1482 WeakPolarHBondContact ND2-CD2 2.96Å; N1391-F1482 WeakPolarHBondContact ND2-CE2 3.39Å | |||
| 1392 | I | 30.1 | Very low | 26.9 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 67% | 0.667 | 65% | 0.647 | S | S | * | * | trans | 65.7 | 138.1 | 138.6 | -66.6 | 168 | 0 | 0 | 0 | 120 | ||||
| 1393 | N | 30.9 | Very low | 27.8 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | cis | -169.5 | -178.5 | -17.1 | -103 | -3.9 | 0 | 0 | 0 | 111.2 | ||||
| 1394 | N | 31.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | trans | 83.2 | 115.6 | 172.7 | -54.1 | -0.2 | 0 | 0 | 0 | 114.3 | ||||
| 1395 | I | 29.6 | Very low | 31.1 | Very low | 142 Ų | 142 | 116.5 Ų | 116.5 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | cis | 79.3 | 98.4 | 27.2 | -47.4 | 171.9 | 0 | 0 | 0 | 114.3 | ||||
| 1396 | E | 27.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 110.1 Ų | 110.1 | 72% | 0.724 | 56% | 0.561 | S | S | * | * | trans | 176.1 | 29.2 | 140.8 | -102.6 | 179.6 | -176 | 0 | 0 | 114.5 | I1851 | E1396-I1851 HydrophobicContact CB-CD1 3.82Å; E1396-I1851 HydrophobicContact CB-CG1 4.08Å; E1396-I1851 HydrophobicContact CB-CG2 4.36Å | ||
| 1397 | Q | 29.5 | Very low | 36.2 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | trans | -140.2 | 87.7 | -178.8 | -172.2 | 90.5 | 124.9 | 0 | 0 | 113.2 | I1851 T1852 | Q1397-I1851 HydrophobicContact CB-CB 4.49Å; Q1397-I1851 HydrophobicContact CB-CG1 3.67Å; Q1397-T1852 VanDerWaalsContact CD-N 3.34Å; Q1397-T1852 PolarHBondContact NE2-O 2.97Å; Q1397-T1852 PolarHBondContact NE2-OG1 2.75Å; Q1397-T1852 PolarHBondContact OE1-OG1 3.49Å | ||
| 1398 | I | 27.9 | Very low | 39.1 | Very low | 169 Ų | 169 | 101.3 Ų | 101.3 | 87% | 0.867 | 50% | 0.503 | S | S | * | . | trans | -138.5 | 66 | 177.1 | -47.6 | -179 | 0 | 0 | 0 | 110.2 | ||||
| 1399 | E | 27.4 | Very low | 42 | Very low | 151 Ų | 151 | 97.2 Ų | 97.2 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | trans | -158 | 124.5 | 169.8 | -114.4 | 173.5 | -143.1 | 0 | 0 | 109.6 | ||||
| 1400 | K | 26.1 | Very low | 44.9 | Very low | 168 Ų | 168 | 92.2 Ų | 92.2 | 73% | 0.73 | 45% | 0.45 | S | S | * | . | trans | 101.1 | 71.6 | -173.9 | -62.7 | 177.1 | 174.9 | 175.7 | 0 | 117.2 | ||||
| 1401 | W | 27.4 | Very low | 47.7 | Very low | 237 Ų | 237 | 89.9 Ų | 89.9 | 90% | 0.898 | 43% | 0.431 | S | S | * | . | trans | -136.2 | 59.9 | 163.4 | -86.4 | 73.3 | 0 | 0 | 0 | 110.7 | H1403 | W1401-H1403 PolarHBondContact O-N 2.71Š| ||
| 1402 | N | 33.9 | Very low | 50.5 | Low | 109 Ų | 109 | 88 Ų | 88 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | trans | -84 | 90.1 | 176.5 | -89.9 | 38.9 | 0 | 0 | 0 | 111.3 | N17 | N17-N1402 WeakPolarHBondContact OD1-CB 3.32Å; N17-N1402 PolarHBondContact OD1-ND2 2.94Å | ||
| 1403 | H | 41.2 | Very low | 53.1 | Low | 123 Ų | 123 | 85 Ų | 85 | 57% | 0.569 | 40% | 0.4 | S | S | * | . | trans | -103.7 | 137.2 | 151 | -75.6 | -31.7 | 0 | 0 | 0 | 108.3 | W1401 F1405 | W1401-H1403 PolarHBondContact O-N 2.71Å; H1403-F1405 WeakPolarHBondContact O-CD1 3.38Å; H1403-F1405 PolarHBondContact O-N 3.03Å | ||
| 1404 | P | 52 | Low | 55.5 | Low | 10 Ų | 10 | 83.2 Ų | 83.2 | 7% | 0.065 | 39% | 0.39 | C | S | . | . | trans | -80.5 | 58.5 | -175.9 | 33.7 | -31.9 | 0 | 0 | 0 | 111.5 | V14 N17 N1451 | V14-P1404 HydrophobicContact CG2-CB 4.32Å; V14-P1404 HydrophobicContact CG2-CG 4.34Å; N17-P1404 HydrophobicContact CB-CB 3.67Å; N17-P1404 HydrophobicContact CB-CG 3.66Å; P1404-N1451 WeakPolarHBondContact CD-OD1 3.02Å; P1404-N1451 PolarHBondContact O-OD1 2.04Å | ||
| 1405 | F | 60.3 | Low | 57.6 | Low | 53 Ų | 53 | 81.3 Ų | 81.3 | 23% | 0.232 | 40% | 0.398 | C | S | . | . | trans | -64.8 | 145.8 | 160 | 72.3 | -91.8 | 0 | 0 | 0 | 108.5 | H1403 F1407 Y1448 | H1403-F1405 WeakPolarHBondContact O-CD1 3.38Å; H1403-F1405 PolarHBondContact O-N 3.03Å; F1405-F1407 HydrophobicContact CD2-CD1 4.22Å; F1405-F1407 HydrophobicContact CE2-CD1 4.03Å; F1405-F1407 HydrophobicContact CE2-CE1 4.09Å; F1405-Y1448 HydrophobicContact CB-CE2 3.65Å; F1405-Y1448 HydrophobicContact CD2-CD2 4.46Å; F1405-Y1448 AromaticContact CD2-CE2 3.82Å; F1405-Y1448 HydrophobicContact CD2-CE2 3.82Å; F1405-Y1448 AromaticContact CG-CE2 3.97Å; F1405-Y1448 HydrophobicContact CG-CE2 3.97Å | ||
| 1406 | M | 71.3 | Confident | 59.9 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 5% | 0.054 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.3 | -179.9 | -176.2 | -160.9 | -25.6 | 0 | 0 | 108 | I10 R1424 E1425 L1426 I1449 | I10-M1406 HydrophobicContact CB-CE 4.31Å; I10-M1406 HydrophobicContact CD1-CE 3.54Å; I10-M1406 HydrophobicContact CD1-SD 3.4Å; I10-M1406 WeakPolarHBondContact CD1-SD 3.49Å; I10-M1406 HydrophobicContact CG1-CE 3.76Å; I10-M1406 HydrophobicContact CG1-SD 4Å; I10-M1406 HydrophobicContact CG2-CE 3.55Å; M1406-R1424 HydrophobicContact CG-CB 3.98Å; M1406-R1424 HydrophobicContact SD-CB 3.78Å; M1406-R1424 HydrophobicContact SD-CG 4.11Å; M1406-E1425 VanDerWaalsContact CA-O 3.26Å; M1406-E1425 WeakPolarHBondContact CA-O 3.26Å; M1406-E1425 WeakPolarHBondContact CG-O 3.4Å; M1406-L1426 HydrophobicContact CB-CD2 3.66Å; M1406-L1426 HydrophobicContact CB-CG 4.45Å; M1406-L1426 HydrophobicContact CE-CD2 4.25Å; M1406-L1426 HydrophobicContact CG-CD2 3.61Å; M1406-L1426 HydrophobicContact CG-CG 3.98Å; M1406-L1426 HydrophobicContact SD-CD2 4.37Å; M1406-I1449 HydrophobicContact CB-CB 4.2Å; M1406-I1449 HydrophobicContact CB-CD1 4.2Å; M1406-I1449 HydrophobicContact CE-CD1 4.13Å; M1406-I1449 HydrophobicContact CE-CG2 4.21Å; M1406-I1449 HydrophobicContact CG-CD1 4.01Å; M1406-I1449 PolarHBondContact N-O 2.78Å; M1406-I1449 VanDerWaalsContact N-O 3.07Å; M1406-I1449 PolarHBondContact O-N 3.13Å; M1406-I1449 HydrophobicContact SD-CD1 3.53Å; M1406-I1449 VanDerWaalsContact SD-CD1 3.53Å |
| 1407 | F | 81.7 | Confident | 62 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 163.6 | 169.9 | 71.8 | -81.9 | 0 | 0 | 0 | 112.6 | L1343 F1405 R1424 E1425 N1428 I1431 I1446 V1447 Y1448 | L1343-F1407 HydrophobicContact CD1-CD1 3.75Å; L1343-F1407 HydrophobicContact CD1-CD2 3.48Å; L1343-F1407 VanDerWaalsContact CD1-CD2 3.48Å; L1343-F1407 HydrophobicContact CD1-CE1 3.6Å; L1343-F1407 HydrophobicContact CD1-CE2 3.31Å; L1343-F1407 HydrophobicContact CD1-CG 3.69Å; L1343-F1407 HydrophobicContact CD1-CZ 3.39Å; F1405-F1407 HydrophobicContact CD2-CD1 4.22Å; F1405-F1407 HydrophobicContact CE2-CD1 4.03Å; F1405-F1407 HydrophobicContact CE2-CE1 4.09Å; F1407-R1424 WeakPolarHBondContact O-CA 3.1Å; F1407-E1425 HydrophobicContact CE1-CB 4.25Å; F1407-E1425 HydrophobicContact CE1-CG 4.1Å; F1407-E1425 HydrophobicContact CZ-CB 4.32Å; F1407-E1425 HydrophobicContact CZ-CG 4.21Å; F1407-E1425 PolarHBondContact N-O 2.91Å; F1407-E1425 PolarHBondContact O-N 2.72Å; F1407-N1428 VanDerWaalsContact CE1-O 3.22Å; F1407-N1428 WeakPolarHBondContact CE1-O 3.14Å; F1407-I1431 HydrophobicContact CD2-CD1 3.75Å; F1407-I1431 HydrophobicContact CD2-CG1 4.37Å; F1407-I1431 HydrophobicContact CE2-CB 4.15Å; F1407-I1431 HydrophobicContact CE2-CD1 3.36Å; F1407-I1431 HydrophobicContact CE2-CG1 3.49Å; F1407-I1431 VanDerWaalsContact CE2-CG1 3.49Å; F1407-I1431 HydrophobicContact CZ-CD1 4Å; F1407-I1431 HydrophobicContact CZ-CG1 3.77Å; F1407-I1446 HydrophobicContact CB-CG2 4Å; F1407-I1446 HydrophobicContact CD2-CG2 3.84Å; F1407-I1446 HydrophobicContact CG-CG2 4.22Å; F1407-V1447 CarbonylContact C-O 3.18Å; F1407-V1447 WeakPolarHBondContact CA-O 3.28Å; F1407-V1447 VanDerWaalsContact CB-O 3.27Å; F1407-V1447 WeakPolarHBondContact CB-O 3.08Å; F1407-Y1448 HydrophobicContact CB-CD2 4.45Å |
| 1408 | Y | 85.8 | Confident | 64 | Low | 3 Ų | 3 | 82 Ų | 82 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156 | 168.1 | 56.8 | -75.2 | 0 | 0 | 0 | 109.3 | F1222 Q1410 E1421 R1424 V1447 I1449 | F1222-Y1408 HydrophobicContact CZ-CE1 4.02Å; Y1408-Q1410 HydrophobicContact CD2-CG 4.15Å; Y1408-Q1410 HydrophobicContact CE2-CG 3.87Å; Y1408-E1421 HydrophobicContact CD2-CB 4.14Å; Y1408-E1421 HydrophobicContact CD2-CG 4.4Å; Y1408-E1421 HydrophobicContact CE2-CB 4.36Å; Y1408-E1421 HydrophobicContact CE2-CG 4.15Å; Y1408-E1421 WeakPolarHBondContact CE2-OE1 3.06Å; Y1408-R1424 HydrophobicContact CD1-CG 3.84Å; Y1408-R1424 HydrophobicContact CG-CG 4.24Å; Y1408-V1447 HydrophobicContact CD1-CB 3.92Å; Y1408-V1447 HydrophobicContact CD1-CG1 4.38Å; Y1408-V1447 HydrophobicContact CD2-CB 4.27Å; Y1408-V1447 HydrophobicContact CD2-CG2 4.28Å; Y1408-V1447 HydrophobicContact CE1-CB 3.5Å; Y1408-V1447 HydrophobicContact CE1-CG1 3.56Å; Y1408-V1447 HydrophobicContact CE1-CG2 4.26Å; Y1408-V1447 HydrophobicContact CE2-CB 3.9Å; Y1408-V1447 HydrophobicContact CE2-CG1 4.47Å; Y1408-V1447 HydrophobicContact CE2-CG2 3.74Å; Y1408-V1447 HydrophobicContact CG-CB 4.29Å; Y1408-V1447 PolarHBondContact N-O 2.79Å; Y1408-V1447 PolarHBondContact O-N 3.36Å; Y1408-I1449 HydrophobicContact CD1-CD1 4.22Å; Y1408-I1449 HydrophobicContact CE1-CD1 4.02Å |
| 1409 | V | 85.3 | Confident | 66.5 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.3 | 171.5 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | L1341 F1411 T1422 I1431 L1433 I1444 I1446 | L1341-V1409 HydrophobicContact CB-CG2 4.19Å; L1341-V1409 HydrophobicContact CD1-CG1 4.38Å; L1341-V1409 HydrophobicContact CD1-CG2 4.37Å; L1341-V1409 HydrophobicContact CD2-CG1 4.17Å; L1341-V1409 HydrophobicContact CD2-CG2 4.29Å; V1409-F1411 HydrophobicContact CG1-CB 4.34Å; V1409-F1411 HydrophobicContact CG1-CD1 4.31Å; V1409-T1422 HydrophobicContact CB-CG2 3.85Å; V1409-T1422 PolarHBondContact N-OG1 3.45Å; V1409-T1422 PolarHBondContact O-N 3.28Å; V1409-I1431 HydrophobicContact CG2-CB 4.04Å; V1409-I1431 HydrophobicContact CG2-CD1 4.28Å; V1409-I1431 HydrophobicContact CG2-CG2 4.06Å; V1409-L1433 HydrophobicContact CG1-CD1 4.09Å; V1409-I1444 HydrophobicContact CG1-CG2 3.28Å; V1409-I1446 HydrophobicContact CG2-CG1 4.38Å |
| 1410 | Q | 86.2 | Confident | 69.1 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.019 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.7 | 163.2 | -92.8 | 176.9 | -4.8 | 0 | 0 | 107.8 | Y1408 W1419 E1420 E1421 I1444 R1445 V1447 | Y1408-Q1410 HydrophobicContact CD2-CG 4.15Å; Y1408-Q1410 HydrophobicContact CE2-CG 3.87Å; Q1410-W1419 HydrophobicContact CB-CD2 4.48Å; Q1410-W1419 HydrophobicContact CB-CE3 3.82Å; Q1410-W1419 HydrophobicContact CB-CZ3 4.46Å; Q1410-W1419 HydrophobicContact CG-CB 4.42Å; Q1410-W1419 WeakPolarHBondContact O-CZ3 3.23Å; Q1410-E1420 VanDerWaalsContact CA-O 3.3Å; Q1410-E1420 WeakPolarHBondContact CA-O 3.49Å; Q1410-E1421 HydrophobicContact CG-CG 3.9Å; Q1410-E1421 PolarHBondContact NE2-OE1 3.47Å; Q1410-I1444 WeakPolarHBondContact O-CA 3.47Å; Q1410-R1445 HydrophobicContact CB-CG 3.76Å; Q1410-R1445 PolarHBondContact N-O 3.01Å; Q1410-R1445 PolarHBondContact O-N 3.37Å; Q1410-R1445 VanDerWaalsContact O-O 3.04Å; Q1410-V1447 HydrophobicContact CB-CG2 4.47Å; Q1410-V1447 HydrophobicContact CG-CG2 4.18Å |
| 1411 | F | 88.4 | Confident | 71.7 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156 | 179.4 | 65.5 | -76.8 | 0 | 0 | 0 | 111.1 | V1409 E1420 T1422 L1433 L1436 Y1442 E1443 I1444 | V1409-F1411 HydrophobicContact CG1-CB 4.34Å; V1409-F1411 HydrophobicContact CG1-CD1 4.31Å; F1411-E1420 HydrophobicContact CD1-CB 4.08Å; F1411-E1420 HydrophobicContact CD2-CB 4.24Å; F1411-E1420 HydrophobicContact CE1-CB 3.65Å; F1411-E1420 HydrophobicContact CE2-CB 3.83Å; F1411-E1420 HydrophobicContact CE2-CG 4.28Å; F1411-E1420 VanDerWaalsContact CE2-OE2 3.27Å; F1411-E1420 WeakPolarHBondContact CE2-OE2 2.74Å; F1411-E1420 HydrophobicContact CG-CB 4.35Å; F1411-E1420 HydrophobicContact CZ-CB 3.51Å; F1411-E1420 HydrophobicContact CZ-CG 4.27Å; F1411-E1420 WeakPolarHBondContact CZ-OE2 3.38Å; F1411-E1420 PolarHBondContact N-O 2.92Å; F1411-E1420 WeakPolarHBondContact O-CB 3.22Å; F1411-E1420 PolarHBondContact O-N 3.47Å; F1411-T1422 HydrophobicContact CD1-CG2 4.26Å; F1411-T1422 HydrophobicContact CE1-CG2 3.9Å; F1411-L1433 HydrophobicContact CB-CD1 3.91Å; F1411-L1433 HydrophobicContact CD1-CD1 3.82Å; F1411-L1433 HydrophobicContact CD1-CD2 3.63Å; F1411-L1433 HydrophobicContact CD1-CG 4.42Å; F1411-L1433 HydrophobicContact CD2-CD1 4.08Å; F1411-L1433 HydrophobicContact CE1-CD1 4.39Å; F1411-L1433 HydrophobicContact CE1-CD2 3.48Å; F1411-L1433 VanDerWaalsContact CE1-CD2 3.48Å; F1411-L1433 HydrophobicContact CG-CD1 3.66Å; F1411-L1433 HydrophobicContact CG-CD2 4.26Å; F1411-L1433 HydrophobicContact CZ-CD2 3.97Å; F1411-L1436 HydrophobicContact CD2-CD2 4.36Å; F1411-L1436 HydrophobicContact CE2-CD2 4.31Å; F1411-Y1442 HydrophobicContact CD2-CD1 4.24Å; F1411-Y1442 HydrophobicContact CD2-CE1 4.42Å; F1411-E1443 CarbonylContact C-O 3.03Å; F1411-E1443 VanDerWaalsContact CA-O 3.3Å; F1411-E1443 WeakPolarHBondContact CA-O 3.07Å; F1411-I1444 HydrophobicContact CB-CB 4.37Å; F1411-I1444 HydrophobicContact CB-CG1 3.92Å; F1411-I1444 HydrophobicContact CB-CG2 4.07Å |
| 1412 | R | 87.6 | Confident | 74.4 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 149.9 | 173.8 | 63.6 | 179.5 | -177.1 | 162.6 | -6.5 | 111.3 | T1416 I1418 W1419 Y1442 E1443 | R1412-T1416 WeakPolarHBondContact CD-O 3.21Å; R1412-T1416 PolarHBondContact NH1-O 3.36Å; R1412-I1418 VanDerWaalsContact CB-O 3.22Å; R1412-I1418 WeakPolarHBondContact CB-O 3.44Å; R1412-W1419 HydrophobicContact CB-CD2 4.48Å; R1412-W1419 HydrophobicContact CB-CE3 4.32Å; R1412-W1419 HydrophobicContact CG-CD2 4.09Å; R1412-W1419 HydrophobicContact CG-CE3 3.97Å; R1412-W1419 HydrophobicContact CG-CH2 4.18Å; R1412-W1419 HydrophobicContact CG-CZ2 4.29Å; R1412-W1419 HydrophobicContact CG-CZ3 4.02Å; R1412-W1419 VanDerWaalsContact NE-CZ2 3.26Å; R1412-Y1442 CarbonylContact O-C 3.55Å; R1412-Y1442 VanDerWaalsContact O-CA 3.28Å; R1412-Y1442 WeakPolarHBondContact O-CA 2.8Å; R1412-E1443 HydrophobicContact CG-CB 4.1Å; R1412-E1443 IonicContact CZ-OE2 3.2Å; R1412-E1443 PolarHBondContact N-O 3.23Å; R1412-E1443 IonicContact NE-OE2 2.84Å; R1412-E1443 PolarHBondContact NE-OE2 3.01Å; R1412-E1443 IonicContact NH2-OE2 2.72Å; R1412-E1443 PolarHBondContact NH2-OE2 2.94Å; R1412-E1443 PolarHBondContact O-N 3.03Å |
| 1413 | Q | 84.7 | Confident | 76.5 | Confident | 68 Ų | 68 | 60 Ų | 60 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.5 | 170.4 | -175.1 | 165.6 | -29.1 | 0 | 0 | 109.1 | G1415 T1416 N1437 Y1442 | Q1413-G1415 PolarHBondContact O-N 2.72Å; Q1413-T1416 HydrophobicContact CB-CG2 4.32Å; Q1413-T1416 PolarHBondContact N-OG1 3.26Å; Q1413-T1416 WeakPolarHBondContact O-CB 3.04Å; Q1413-T1416 PolarHBondContact O-N 2.61Å; Q1413-T1416 PolarHBondContact O-OG1 3.06Å; Q1413-N1437 PolarHBondContact OE1-ND2 2.66Å; Q1413-Y1442 HydrophobicContact CB-CD1 4.32Å; Q1413-Y1442 HydrophobicContact CB-CE1 3.99Å |
| 1414 | L | 80.4 | Confident | 78.2 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.4 | -174.9 | -153.3 | 89.9 | 0 | 0 | 0 | 110.3 | Q1441 E1443 I1462 | L1414-Q1441 HydrophobicContact CB-CB 3.9Å; L1414-Q1441 HydrophobicContact CD2-CB 4.47Å; L1414-Q1441 PolarHBondContact N-O 2.89Å; L1414-E1443 HydrophobicContact CD1-CB 4.16Å; L1414-I1462 HydrophobicContact CD1-CD1 3.83Å; L1414-I1462 HydrophobicContact CD1-CG1 3.96Å; L1414-I1462 HydrophobicContact CD1-CG2 4.21Å |
| 1415 | G | 75.1 | Confident | 79.4 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 84% | 0.835 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | -2.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1413 | Q1413-G1415 PolarHBondContact O-N 2.72Š|
| 1416 | T | 77.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -94.6 | 145.2 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | R1412 Q1413 | R1412-T1416 WeakPolarHBondContact CD-O 3.21Å; R1412-T1416 PolarHBondContact NH1-O 3.36Å; Q1413-T1416 HydrophobicContact CB-CG2 4.32Å; Q1413-T1416 PolarHBondContact N-OG1 3.26Å; Q1413-T1416 WeakPolarHBondContact O-CB 3.04Å; Q1413-T1416 PolarHBondContact O-N 2.61Å; Q1413-T1416 PolarHBondContact O-OG1 3.06Å | ||
| 1417 | E | 72.9 | Confident | 79.2 | Confident | 180 Ų | 180 | 60 Ų | 60 | 84% | 0.841 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -81.8 | -34.1 | 178 | -63.5 | -167.8 | 151.8 | 0 | 0 | 112.9 | ||
| 1418 | I | 71.8 | Confident | 78.7 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 70% | 0.703 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 135.5 | -175.4 | -56.9 | 174.8 | 0 | 0 | 0 | 109.9 | R1412 | R1412-I1418 VanDerWaalsContact CB-O 3.22Å; R1412-I1418 WeakPolarHBondContact CB-O 3.44Å |
| 1419 | W | 79.1 | Confident | 78.1 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 19% | 0.186 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 126.6 | 168.5 | -70.1 | 82.6 | 0 | 0 | 0 | 109.8 | Q1410 R1412 E1443 R1445 T1460 | Q1410-W1419 HydrophobicContact CB-CD2 4.48Å; Q1410-W1419 HydrophobicContact CB-CE3 3.82Å; Q1410-W1419 HydrophobicContact CB-CZ3 4.46Å; Q1410-W1419 HydrophobicContact CG-CB 4.42Å; Q1410-W1419 WeakPolarHBondContact O-CZ3 3.23Å; R1412-W1419 HydrophobicContact CB-CD2 4.48Å; R1412-W1419 HydrophobicContact CB-CE3 4.32Å; R1412-W1419 HydrophobicContact CG-CD2 4.09Å; R1412-W1419 HydrophobicContact CG-CE3 3.97Å; R1412-W1419 HydrophobicContact CG-CH2 4.18Å; R1412-W1419 HydrophobicContact CG-CZ2 4.29Å; R1412-W1419 HydrophobicContact CG-CZ3 4.02Å; R1412-W1419 VanDerWaalsContact NE-CZ2 3.26Å; W1419-E1443 HydrophobicContact CH2-CB 4.18Å; W1419-E1443 HydrophobicContact CH2-CG 3.75Å; W1419-E1443 WeakPolarHBondContact CH2-OE2 2.96Å; W1419-E1443 WeakPolarHBondContact CZ2-OE2 3.16Å; W1419-E1443 HydrophobicContact CZ3-CG 4.48Å; W1419-E1443 WeakPolarHBondContact CZ3-O 2.82Å; W1419-R1445 HydrophobicContact CE3-CG 4.43Å; W1419-R1445 HydrophobicContact CH2-CG 4.25Å; W1419-R1445 HydrophobicContact CZ3-CG 3.92Å; W1419-T1460 HydrophobicContact CH2-CG2 3.57Å; W1419-T1460 HydrophobicContact CZ2-CG2 4.27Å; W1419-T1460 HydrophobicContact CZ3-CG2 4.43Å |
| 1420 | E | 82 | Confident | 77.9 | Confident | 107 Ų | 107 | 70 Ų | 70 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.3 | 167.8 | -65 | 177.9 | -127.8 | 0 | 0 | 109.3 | Q1410 F1411 | Q1410-E1420 VanDerWaalsContact CA-O 3.3Å; Q1410-E1420 WeakPolarHBondContact CA-O 3.49Å; F1411-E1420 HydrophobicContact CD1-CB 4.08Å; F1411-E1420 HydrophobicContact CD2-CB 4.24Å; F1411-E1420 HydrophobicContact CE1-CB 3.65Å; F1411-E1420 HydrophobicContact CE2-CB 3.83Å; F1411-E1420 HydrophobicContact CE2-CG 4.28Å; F1411-E1420 VanDerWaalsContact CE2-OE2 3.27Å; F1411-E1420 WeakPolarHBondContact CE2-OE2 2.74Å; F1411-E1420 HydrophobicContact CG-CB 4.35Å; F1411-E1420 HydrophobicContact CZ-CB 3.51Å; F1411-E1420 HydrophobicContact CZ-CG 4.27Å; F1411-E1420 WeakPolarHBondContact CZ-OE2 3.38Å; F1411-E1420 PolarHBondContact N-O 2.92Å; F1411-E1420 WeakPolarHBondContact O-CB 3.22Å; F1411-E1420 PolarHBondContact O-N 3.47Å |
| 1421 | E | 81.5 | Confident | 77.7 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.3 | 179.1 | -57.2 | -170.9 | 132.1 | 0 | 0 | 109.5 | H1227 R1283 Y1408 Q1410 | H1227-E1421 IonicContact CE1-OE1 2.73Å; R1283-E1421 IonicContact NH2-OE2 2.71Å; R1283-E1421 PolarHBondContact NH2-OE2 3.33Å; Y1408-E1421 HydrophobicContact CD2-CB 4.14Å; Y1408-E1421 HydrophobicContact CD2-CG 4.4Å; Y1408-E1421 HydrophobicContact CE2-CB 4.36Å; Y1408-E1421 HydrophobicContact CE2-CG 4.15Å; Y1408-E1421 WeakPolarHBondContact CE2-OE1 3.06Å; Q1410-E1421 HydrophobicContact CG-CG 3.9Å; Q1410-E1421 PolarHBondContact NE2-OE1 3.47Å |
| 1422 | T | 83.3 | Confident | 77.5 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | trans | -70.8 | 165.4 | 168.6 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | V1409 F1411 I1431 L1433 | V1409-T1422 HydrophobicContact CB-CG2 3.85Å; V1409-T1422 PolarHBondContact N-OG1 3.45Å; V1409-T1422 PolarHBondContact O-N 3.28Å; F1411-T1422 HydrophobicContact CD1-CG2 4.26Å; F1411-T1422 HydrophobicContact CE1-CG2 3.9Å; T1422-I1431 HydrophobicContact CG2-CG2 3.96Å; T1422-I1431 WeakPolarHBondContact OG1-CD1 2.92Å; T1422-L1433 HydrophobicContact CG2-CD2 3.43Å; T1422-L1433 VanDerWaalsContact CG2-CD2 3.43Å | ||
| 1423 | Q | 78.5 | Confident | 77.3 | Confident | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | trans | -55.9 | 148.5 | 164.3 | -70.1 | -173.6 | -48.1 | 0 | 0 | 110.7 | W2 E1425 | W2-Q1423 HydrophobicContact CH2-CG 4.46Å; W2-Q1423 VanDerWaalsContact CH2-NE2 3.3Å; W2-Q1423 HydrophobicContact CZ3-CG 4.35Å; Q1423-E1425 PolarHBondContact O-N 2.61Å | ||
| 1424 | R | 77.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 5% | 0.053 | 37% | 0.372 | C | S | . | . | trans | -75.8 | 111.4 | 177.5 | -69.1 | 179.4 | -76.6 | 178.1 | 2.2 | 108.9 | F3 Q6 C7 M1406 F1407 Y1408 | F3-R1424 VanDerWaalsContact CD1-NH2 3.26Å; F3-R1424 PolarHBondContact O-NH2 2.9Å; Q6-R1424 VanDerWaalsContact OE1-CZ 3.32Å; C7-R1424 PolarHBondContact SG-NH1 2.92Å; C7-R1424 PolarHBondContact SG-NH2 3.04Å; C7-R1424 VanDerWaalsContact SG-NH2 3.37Å; M1406-R1424 HydrophobicContact CG-CB 3.98Å; M1406-R1424 HydrophobicContact SD-CB 3.78Å; M1406-R1424 HydrophobicContact SD-CG 4.11Å; F1407-R1424 WeakPolarHBondContact O-CA 3.1Å; Y1408-R1424 HydrophobicContact CD1-CG 3.84Å; Y1408-R1424 HydrophobicContact CG-CG 4.24Å | ||
| 1425 | E | 77.3 | Confident | 77 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 20% | 0.201 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 139.1 | 179.7 | 179.7 | 55 | -108.6 | 0 | 0 | 110 | M1406 F1407 Q1423 H1427 N1428 I1431 | M1406-E1425 VanDerWaalsContact CA-O 3.26Å; M1406-E1425 WeakPolarHBondContact CA-O 3.26Å; M1406-E1425 WeakPolarHBondContact CG-O 3.4Å; F1407-E1425 HydrophobicContact CE1-CB 4.25Å; F1407-E1425 HydrophobicContact CE1-CG 4.1Å; F1407-E1425 HydrophobicContact CZ-CB 4.32Å; F1407-E1425 HydrophobicContact CZ-CG 4.21Å; F1407-E1425 PolarHBondContact N-O 2.91Å; F1407-E1425 PolarHBondContact O-N 2.72Å; Q1423-E1425 PolarHBondContact O-N 2.61Å; E1425-H1427 PolarHBondContact OE1-N 2.72Å; E1425-N1428 VanDerWaalsContact CD-ND2 3.33Å; E1425-N1428 HydrophobicContact CG-CB 3.89Å; E1425-N1428 VanDerWaalsContact CG-O 3.26Å; E1425-N1428 WeakPolarHBondContact CG-O 3.36Å; E1425-N1428 PolarHBondContact OE1-N 3.04Å; E1425-N1428 PolarHBondContact OE1-ND2 2.92Å; E1425-N1428 PolarHBondContact OE2-ND2 3.25Å; E1425-N1428 VanDerWaalsContact OE2-ND2 3.07Å; E1425-I1431 HydrophobicContact CB-CD1 3.67Å; E1425-I1431 HydrophobicContact CB-CG1 3.82Å; E1425-I1431 HydrophobicContact CG-CG1 4.17Å |
| 1426 | L | 67.1 | Low | 77.4 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -130.6 | -7.1 | -168.7 | -78 | 160.2 | 0 | 0 | 0 | 113.2 | I10 L13 M1406 | I10-L1426 HydrophobicContact CG1-CD1 3.81Å; I10-L1426 HydrophobicContact CG1-CD2 4.34Å; L13-L1426 HydrophobicContact CD1-CD1 3.62Å; M1406-L1426 HydrophobicContact CB-CD2 3.66Å; M1406-L1426 HydrophobicContact CB-CG 4.45Å; M1406-L1426 HydrophobicContact CE-CD2 4.25Å; M1406-L1426 HydrophobicContact CG-CD2 3.61Å; M1406-L1426 HydrophobicContact CG-CG 3.98Å; M1406-L1426 HydrophobicContact SD-CD2 4.37Å |
| 1427 | H | 60.6 | Low | 77.5 | Confident | 117 Ų | 117 | 72.7 Ų | 72.7 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -135.3 | -38.5 | -170.4 | -61.8 | -38.6 | 0 | 0 | 0 | 112.8 | E1425 | E1425-H1427 PolarHBondContact OE1-N 2.72Š|
| 1428 | N | 71.5 | Confident | 77.4 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | trans | -88.7 | 139.7 | 176.8 | -60.6 | -73.7 | 0 | 0 | 0 | 110.9 | F1407 E1425 W1430 | F1407-N1428 VanDerWaalsContact CE1-O 3.22Å; F1407-N1428 WeakPolarHBondContact CE1-O 3.14Å; E1425-N1428 VanDerWaalsContact CD-ND2 3.33Å; E1425-N1428 HydrophobicContact CG-CB 3.89Å; E1425-N1428 VanDerWaalsContact CG-O 3.26Å; E1425-N1428 WeakPolarHBondContact CG-O 3.36Å; E1425-N1428 PolarHBondContact OE1-N 3.04Å; E1425-N1428 PolarHBondContact OE1-ND2 2.92Å; E1425-N1428 PolarHBondContact OE2-ND2 3.25Å; E1425-N1428 VanDerWaalsContact OE2-ND2 3.07Å; N1428-W1430 HydrophobicContact CB-CD2 4.15Å; N1428-W1430 HydrophobicContact CB-CG 4.19Å; N1428-W1430 HydrophobicContact CB-CZ2 4.35Å; N1428-W1430 PolarHBondContact O-N 2.83Å; N1428-W1430 VanDerWaalsContact O-N 3.16Å; N1428-W1430 WeakPolarHBondContact OD1-CZ2 3.17Å; N1428-W1430 PolarHBondContact OD1-NE1 3.22Å | ||
| 1429 | S | 73 | Confident | 77.6 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -77.8 | 14.8 | 168.8 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | L1343 | L1343-S1429 PolarHBondContact N-O 2.76Š|
| 1430 | W | 80.3 | Confident | 77.7 | Confident | 108 Ų | 108 | 67 Ų | 67 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.3 | -171.5 | 58.7 | -91.3 | 0 | 0 | 0 | 112.3 | N1340 L1341 T1342 N1428 V1432 | N1340-W1430 WeakPolarHBondContact OD1-CB 3.11Å; L1341-W1430 CarbonylContact O-C 3.16Å; L1341-W1430 VanDerWaalsContact O-CA 3.26Å; L1341-W1430 WeakPolarHBondContact O-CA 3.36Å; T1342-W1430 HydrophobicContact CG2-CB 4.23Å; N1428-W1430 HydrophobicContact CB-CD2 4.15Å; N1428-W1430 HydrophobicContact CB-CG 4.19Å; N1428-W1430 HydrophobicContact CB-CZ2 4.35Å; N1428-W1430 PolarHBondContact O-N 2.83Å; N1428-W1430 VanDerWaalsContact O-N 3.16Å; N1428-W1430 WeakPolarHBondContact OD1-CZ2 3.17Å; N1428-W1430 PolarHBondContact OD1-NE1 3.22Å; W1430-V1432 HydrophobicContact CE3-CG2 3.82Å; W1430-V1432 HydrophobicContact CZ3-CG2 3.7Å |
| 1431 | I | 81.7 | Confident | 77.7 | Confident | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.3 | 172.3 | -71.5 | 177.6 | 0 | 0 | 0 | 108.7 | L1341 F1407 V1409 T1422 E1425 | L1341-I1431 PolarHBondContact N-O 3.31Å; L1341-I1431 PolarHBondContact O-N 3.4Å; F1407-I1431 HydrophobicContact CD2-CD1 3.75Å; F1407-I1431 HydrophobicContact CD2-CG1 4.37Å; F1407-I1431 HydrophobicContact CE2-CB 4.15Å; F1407-I1431 HydrophobicContact CE2-CD1 3.36Å; F1407-I1431 HydrophobicContact CE2-CG1 3.49Å; F1407-I1431 VanDerWaalsContact CE2-CG1 3.49Å; F1407-I1431 HydrophobicContact CZ-CD1 4Å; F1407-I1431 HydrophobicContact CZ-CG1 3.77Å; V1409-I1431 HydrophobicContact CG2-CB 4.04Å; V1409-I1431 HydrophobicContact CG2-CD1 4.28Å; V1409-I1431 HydrophobicContact CG2-CG2 4.06Å; T1422-I1431 HydrophobicContact CG2-CG2 3.96Å; T1422-I1431 WeakPolarHBondContact OG1-CD1 2.92Å; E1425-I1431 HydrophobicContact CB-CD1 3.67Å; E1425-I1431 HydrophobicContact CB-CG1 3.82Å; E1425-I1431 HydrophobicContact CG-CG1 4.17Å |
| 1432 | V | 84.3 | Confident | 78 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.8 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.4 | I1332 I1339 N1340 W1430 K1434 | I1332-V1432 HydrophobicContact CD1-CB 4.23Å; I1332-V1432 HydrophobicContact CD1-CG1 3.43Å; I1332-V1432 VanDerWaalsContact CD1-CG1 3.43Å; I1332-V1432 HydrophobicContact CD1-CG2 3.71Å; I1339-V1432 CarbonylContact O-C 3.47Å; I1339-V1432 WeakPolarHBondContact O-CA 3.42Å; N1340-V1432 HydrophobicContact CB-CG2 4.04Å; W1430-V1432 HydrophobicContact CE3-CG2 3.82Å; W1430-V1432 HydrophobicContact CZ3-CG2 3.7Å; V1432-K1434 HydrophobicContact CG1-CD 4.47Å; V1432-K1434 HydrophobicContact CG1-CG 3.72Å |
| 1433 | L | 83.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 129.7 | 163 | -65.2 | -177.1 | 0 | 0 | 0 | 109 | S1338 I1339 L1341 V1409 F1411 T1422 L1436 I1444 | S1338-L1433 VanDerWaalsContact CA-O 3.31Å; S1338-L1433 WeakPolarHBondContact CA-O 3.33Å; I1339-L1433 HydrophobicContact CD1-CB 4.38Å; I1339-L1433 HydrophobicContact CD1-CD1 4.29Å; I1339-L1433 HydrophobicContact CG1-CB 3.89Å; I1339-L1433 PolarHBondContact N-O 3.17Å; I1339-L1433 PolarHBondContact O-N 3.48Å; L1341-L1433 HydrophobicContact CD1-CB 4.28Å; L1341-L1433 HydrophobicContact CD1-CD1 3.71Å; L1341-L1433 HydrophobicContact CD1-CG 3.64Å; V1409-L1433 HydrophobicContact CG1-CD1 4.09Å; F1411-L1433 HydrophobicContact CB-CD1 3.91Å; F1411-L1433 HydrophobicContact CD1-CD1 3.82Å; F1411-L1433 HydrophobicContact CD1-CD2 3.63Å; F1411-L1433 HydrophobicContact CD1-CG 4.42Å; F1411-L1433 HydrophobicContact CD2-CD1 4.08Å; F1411-L1433 HydrophobicContact CE1-CD1 4.39Å; F1411-L1433 HydrophobicContact CE1-CD2 3.48Å; F1411-L1433 VanDerWaalsContact CE1-CD2 3.48Å; F1411-L1433 HydrophobicContact CG-CD1 3.66Å; F1411-L1433 HydrophobicContact CG-CD2 4.26Å; F1411-L1433 HydrophobicContact CZ-CD2 3.97Å; T1422-L1433 HydrophobicContact CG2-CD2 3.43Å; T1422-L1433 VanDerWaalsContact CG2-CD2 3.43Å; L1433-L1436 HydrophobicContact CB-CD1 4.13Å; L1433-L1436 HydrophobicContact CB-CD2 4.33Å; L1433-L1436 HydrophobicContact CB-CG 4.33Å; L1433-I1444 HydrophobicContact CD1-CD1 4.08Å |
| 1434 | K | 81 | Confident | 78.6 | Confident | 139 Ų | 139 | 57.5 Ų | 57.5 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | trans | -116.9 | 165.4 | 178.9 | -56.5 | -176 | -177 | 178 | 0 | 109 | V1432 L1436 | V1432-K1434 HydrophobicContact CG1-CD 4.47Å; V1432-K1434 HydrophobicContact CG1-CG 3.72Å; K1434-L1436 PolarHBondContact O-N 2.68Å | ||
| 1435 | N | 78.7 | Confident | 78.9 | Confident | 141 Ų | 141 | 58.7 Ų | 58.7 | 75% | 0.754 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 59.7 | 25.9 | 172.5 | -53.4 | -12.6 | 0 | 0 | 0 | 114.5 | N1337 | N1337-N1435 PolarHBondContact O-N 2.8Š|
| 1436 | L | 82.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.5 | 175.1 | -61.8 | 179.9 | 0 | 0 | 0 | 110.1 | N1337 I1339 F1411 L1433 K1434 K1438 Y1442 I1465 | N1337-L1436 PolarHBondContact ND2-O 2.68Å; N1337-L1436 PolarHBondContact O-N 2.59Å; N1337-L1436 VanDerWaalsContact O-N 3.16Å; I1339-L1436 HydrophobicContact CD1-CD1 3.47Å; I1339-L1436 VanDerWaalsContact CD1-CD1 3.47Å; I1339-L1436 HydrophobicContact CG1-CD1 3.74Å; F1411-L1436 HydrophobicContact CD2-CD2 4.36Å; F1411-L1436 HydrophobicContact CE2-CD2 4.31Å; L1433-L1436 HydrophobicContact CB-CD1 4.13Å; L1433-L1436 HydrophobicContact CB-CD2 4.33Å; L1433-L1436 HydrophobicContact CB-CG 4.33Å; K1434-L1436 PolarHBondContact O-N 2.68Å; L1436-K1438 PolarHBondContact O-N 3.16Å; L1436-Y1442 HydrophobicContact CB-CD2 4.44Å; L1436-Y1442 HydrophobicContact CB-CE2 3.84Å; L1436-Y1442 HydrophobicContact CD2-CD1 4.13Å; L1436-Y1442 HydrophobicContact CD2-CD2 4.39Å; L1436-Y1442 HydrophobicContact CD2-CE1 3.82Å; L1436-Y1442 HydrophobicContact CD2-CE2 4.08Å; L1436-Y1442 HydrophobicContact CD2-CG 4.41Å; L1436-Y1442 HydrophobicContact CG-CE2 4.43Å; L1436-I1465 HydrophobicContact CB-CD1 4.27Å; L1436-I1465 HydrophobicContact CB-CG1 4.15Å; L1436-I1465 HydrophobicContact CD1-CD1 3.82Å; L1436-I1465 HydrophobicContact CD1-CG1 4.48Å |
| 1437 | N | 80.4 | Confident | 79.8 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 133.5 | 179.3 | -72.7 | -33.3 | 0 | 0 | 0 | 110.6 | Q1413 S1440 Y1442 I1465 | Q1413-N1437 PolarHBondContact OE1-ND2 2.66Å; N1437-S1440 WeakPolarHBondContact CB-OG 2.93Å; N1437-S1440 WeakPolarHBondContact O-CB 3.45Å; N1437-Y1442 HydrophobicContact CB-CE2 4.33Å; N1437-Y1442 WeakPolarHBondContact CB-OH 3.44Å; N1437-Y1442 PolarHBondContact N-OH 2.69Å; N1437-Y1442 PolarHBondContact ND2-OH 2.83Å; N1437-I1465 WeakPolarHBondContact O-CB 3.37Å |
| 1438 | K | 70.2 | Confident | 80.5 | Confident | 131 Ų | 131 | 53 Ų | 53 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 150.7 | 173 | -61.4 | -177.3 | 179.5 | 175.2 | 0 | 109.9 | N1337 L1436 S1440 | N1337-K1438 WeakPolarHBondContact ND2-CG 3.29Å; N1337-K1438 WeakPolarHBondContact OD1-CE 3.4Å; L1436-K1438 PolarHBondContact O-N 3.16Å; K1438-S1440 PolarHBondContact O-N 3.26Å; K1438-S1440 PolarHBondContact O-OG 2.91Å |
| 1439 | D | 76.1 | Confident | 80.6 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -10.6 | -178.7 | -154.7 | 40.1 | 0 | 0 | 0 | 114.9 | H1464 I1465 I1467 | D1439-H1464 PolarHBondContact O-CE1 3.08Å; D1439-H1464 PolarHBondContact O-ND1 2.8Å; D1439-H1464 VanDerWaalsContact O-ND1 3.15Å; D1439-H1464 IonicContact OD1-CE1 3.31Å; D1439-H1464 PolarHBondContact OD1-CE1 2.82Å; D1439-H1464 VanDerWaalsContact OD1-CE1 3.31Å; D1439-H1464 IonicContact OD1-NE2 3.93Å; D1439-I1465 WeakPolarHBondContact CA-O 3.05Å; D1439-I1465 PolarHBondContact N-O 2.86Å; D1439-I1467 HydrophobicContact CB-CD1 4Å; D1439-I1467 HydrophobicContact CB-CG1 4.06Å; D1439-I1467 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1440 | S | 80.8 | Confident | 80.2 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | trans | -79.3 | 147 | -176.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | N1437 K1438 I1465 | N1437-S1440 WeakPolarHBondContact CB-OG 2.93Å; N1437-S1440 WeakPolarHBondContact O-CB 3.45Å; K1438-S1440 PolarHBondContact O-N 3.26Å; K1438-S1440 PolarHBondContact O-OG 2.91Å; S1440-I1465 PolarHBondContact O-N 3.34Å | ||
| 1441 | Q | 83.2 | Confident | 79.1 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.2 | 169.6 | -65.3 | -174.3 | -2.3 | 0 | 0 | 109.9 | L1414 I1462 I1463 H1464 | L1414-Q1441 HydrophobicContact CB-CB 3.9Å; L1414-Q1441 HydrophobicContact CD2-CB 4.47Å; L1414-Q1441 PolarHBondContact N-O 2.89Å; Q1441-I1462 HydrophobicContact CB-CG2 4.39Å; Q1441-I1463 CarbonylContact C-O 3.5Å; Q1441-I1463 WeakPolarHBondContact CA-O 2.64Å; Q1441-H1464 HydrophobicContact CG-CB 4.07Å |
| 1442 | Y | 87 | Confident | 77.7 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.9 | 177.4 | -76.4 | -90.8 | 0 | 0 | 0 | 109.9 | F1411 R1412 Q1413 L1436 N1437 I1462 I1463 I1465 | F1411-Y1442 HydrophobicContact CD2-CD1 4.24Å; F1411-Y1442 HydrophobicContact CD2-CE1 4.42Å; R1412-Y1442 CarbonylContact O-C 3.55Å; R1412-Y1442 VanDerWaalsContact O-CA 3.28Å; R1412-Y1442 WeakPolarHBondContact O-CA 2.8Å; Q1413-Y1442 HydrophobicContact CB-CD1 4.32Å; Q1413-Y1442 HydrophobicContact CB-CE1 3.99Å; L1436-Y1442 HydrophobicContact CB-CD2 4.44Å; L1436-Y1442 HydrophobicContact CB-CE2 3.84Å; L1436-Y1442 HydrophobicContact CD2-CD1 4.13Å; L1436-Y1442 HydrophobicContact CD2-CD2 4.39Å; L1436-Y1442 HydrophobicContact CD2-CE1 3.82Å; L1436-Y1442 HydrophobicContact CD2-CE2 4.08Å; L1436-Y1442 HydrophobicContact CD2-CG 4.41Å; L1436-Y1442 HydrophobicContact CG-CE2 4.43Å; N1437-Y1442 HydrophobicContact CB-CE2 4.33Å; N1437-Y1442 WeakPolarHBondContact CB-OH 3.44Å; N1437-Y1442 PolarHBondContact N-OH 2.69Å; N1437-Y1442 PolarHBondContact ND2-OH 2.83Å; Y1442-I1462 CarbonylContact O-C 3.58Å; Y1442-I1462 WeakPolarHBondContact O-CA 3.31Å; Y1442-I1463 PolarHBondContact N-O 2.71Å; Y1442-I1463 PolarHBondContact O-N 3.26Å; Y1442-I1465 HydrophobicContact CD2-CG1 4.01Å; Y1442-I1465 HydrophobicContact CE2-CG1 4.22Å |
| 1443 | E | 86.5 | Confident | 76.3 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.4 | 167.7 | -166.7 | -172.9 | -169.2 | 0 | 0 | 108.9 | F1411 R1412 L1414 W1419 T1460 I1462 | F1411-E1443 CarbonylContact C-O 3.03Å; F1411-E1443 VanDerWaalsContact CA-O 3.3Å; F1411-E1443 WeakPolarHBondContact CA-O 3.07Å; R1412-E1443 HydrophobicContact CG-CB 4.1Å; R1412-E1443 IonicContact CZ-OE2 3.2Å; R1412-E1443 PolarHBondContact N-O 3.23Å; R1412-E1443 IonicContact NE-OE2 2.84Å; R1412-E1443 PolarHBondContact NE-OE2 3.01Å; R1412-E1443 IonicContact NH2-OE2 2.72Å; R1412-E1443 PolarHBondContact NH2-OE2 2.94Å; R1412-E1443 PolarHBondContact O-N 3.03Å; L1414-E1443 HydrophobicContact CD1-CB 4.16Å; W1419-E1443 HydrophobicContact CH2-CB 4.18Å; W1419-E1443 HydrophobicContact CH2-CG 3.75Å; W1419-E1443 WeakPolarHBondContact CH2-OE2 2.96Å; W1419-E1443 WeakPolarHBondContact CZ2-OE2 3.16Å; W1419-E1443 HydrophobicContact CZ3-CG 4.48Å; W1419-E1443 WeakPolarHBondContact CZ3-O 2.82Å; E1443-T1460 HydrophobicContact CG-CG2 3.9Å; E1443-T1460 WeakPolarHBondContact OE1-CB 2.93Å; E1443-T1460 VanDerWaalsContact OE1-CG2 3.25Å; E1443-T1460 WeakPolarHBondContact OE1-CG2 3.5Å; E1443-T1460 PolarHBondContact OE1-OG1 2.8Å; E1443-I1462 HydrophobicContact CB-CG1 4.44Å; E1443-I1462 HydrophobicContact CG-CG1 4.22Å |
| 1444 | I | 87.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.7 | -171 | -47.1 | -178.1 | 0 | 0 | 0 | 111.7 | I1329 I1339 L1341 V1409 Q1410 F1411 L1433 T1460 K1461 I1463 | I1329-I1444 HydrophobicContact CD1-CD1 4.43Å; I1339-I1444 HydrophobicContact CD1-CD1 3.72Å; L1341-I1444 HydrophobicContact CD2-CG2 3.53Å; V1409-I1444 HydrophobicContact CG1-CG2 3.28Å; Q1410-I1444 WeakPolarHBondContact O-CA 3.47Å; F1411-I1444 HydrophobicContact CB-CB 4.37Å; F1411-I1444 HydrophobicContact CB-CG1 3.92Å; F1411-I1444 HydrophobicContact CB-CG2 4.07Å; L1433-I1444 HydrophobicContact CD1-CD1 4.08Å; I1444-T1460 CarbonylContact O-C 3.58Å; I1444-T1460 WeakPolarHBondContact O-CA 3.4Å; I1444-K1461 PolarHBondContact N-O 2.64Å; I1444-K1461 PolarHBondContact O-N 2.71Å; I1444-I1463 HydrophobicContact CD1-CD1 3.52Å; I1444-I1463 HydrophobicContact CD1-CG1 3.88Å |
| 1445 | R | 83.9 | Confident | 74.7 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.1 | 171.7 | 62.1 | -161.2 | -167.7 | -166.7 | -2 | 111.2 | Q1410 W1419 V1457 T1460 | Q1410-R1445 HydrophobicContact CB-CG 3.76Å; Q1410-R1445 PolarHBondContact N-O 3.01Å; Q1410-R1445 PolarHBondContact O-N 3.37Å; Q1410-R1445 VanDerWaalsContact O-O 3.04Å; W1419-R1445 HydrophobicContact CE3-CG 4.43Å; W1419-R1445 HydrophobicContact CH2-CG 4.25Å; W1419-R1445 HydrophobicContact CZ3-CG 3.92Å; R1445-V1457 HydrophobicContact CB-CG1 4.29Å; R1445-V1457 HydrophobicContact CG-CG1 3.94Å; R1445-T1460 HydrophobicContact CB-CG2 3.76Å; R1445-T1460 HydrophobicContact CG-CG2 4.17Å |
| 1446 | I | 83.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.7 | 173.2 | -61.5 | -165.2 | 0 | 0 | 0 | 108.5 | F1327 L1343 F1407 V1409 V1457 S1458 | F1327-I1446 HydrophobicContact CB-CD1 3.48Å; F1327-I1446 VanDerWaalsContact CB-CD1 3.48Å; F1327-I1446 HydrophobicContact CB-CG1 4.42Å; F1327-I1446 HydrophobicContact CD1-CD1 4.15Å; F1327-I1446 HydrophobicContact CD1-CG1 4.21Å; F1327-I1446 HydrophobicContact CD2-CD1 3.97Å; F1327-I1446 HydrophobicContact CD2-CG1 4.23Å; F1327-I1446 HydrophobicContact CE2-CG1 4.49Å; F1327-I1446 HydrophobicContact CG-CD1 3.64Å; F1327-I1446 HydrophobicContact CG-CG1 4.07Å; L1343-I1446 HydrophobicContact CD1-CD1 3.64Å; L1343-I1446 HydrophobicContact CD1-CG2 4.16Å; L1343-I1446 HydrophobicContact CG-CD1 3.99Å; F1407-I1446 HydrophobicContact CB-CG2 4Å; F1407-I1446 HydrophobicContact CD2-CG2 3.84Å; F1407-I1446 HydrophobicContact CG-CG2 4.22Å; V1409-I1446 HydrophobicContact CG2-CG1 4.38Å; I1446-V1457 WeakPolarHBondContact O-CA 3.07Å; I1446-S1458 PolarHBondContact N-OG 3.07Å; I1446-S1458 PolarHBondContact O-N 2.76Å |
| 1447 | V | 79.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 108 | 167.1 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | V1225 F1407 Y1408 Q1410 I1456 V1457 | V1225-V1447 HydrophobicContact CG2-CG1 4.07Å; V1225-V1447 HydrophobicContact CG2-CG2 3.73Å; F1407-V1447 CarbonylContact C-O 3.18Å; F1407-V1447 WeakPolarHBondContact CA-O 3.28Å; F1407-V1447 VanDerWaalsContact CB-O 3.27Å; F1407-V1447 WeakPolarHBondContact CB-O 3.08Å; Y1408-V1447 HydrophobicContact CD1-CB 3.92Å; Y1408-V1447 HydrophobicContact CD1-CG1 4.38Å; Y1408-V1447 HydrophobicContact CD2-CB 4.27Å; Y1408-V1447 HydrophobicContact CD2-CG2 4.28Å; Y1408-V1447 HydrophobicContact CE1-CB 3.5Å; Y1408-V1447 HydrophobicContact CE1-CG1 3.56Å; Y1408-V1447 HydrophobicContact CE1-CG2 4.26Å; Y1408-V1447 HydrophobicContact CE2-CB 3.9Å; Y1408-V1447 HydrophobicContact CE2-CG1 4.47Å; Y1408-V1447 HydrophobicContact CE2-CG2 3.74Å; Y1408-V1447 HydrophobicContact CG-CB 4.29Å; Y1408-V1447 PolarHBondContact N-O 2.79Å; Y1408-V1447 PolarHBondContact O-N 3.36Å; Q1410-V1447 HydrophobicContact CB-CG2 4.47Å; Q1410-V1447 HydrophobicContact CG-CG2 4.18Å; V1447-I1456 CarbonylContact C-O 3.52Å; V1447-I1456 WeakPolarHBondContact CA-O 3.28Å; V1447-V1457 HydrophobicContact CG1-CG2 4.19Å; V1447-V1457 HydrophobicContact CG2-CG1 4.34Å; V1447-V1457 HydrophobicContact CG2-CG2 4.13Å |
| 1448 | Y | 76 | Confident | 73.9 | Confident | 64 Ų | 64 | 38.4 Ų | 38.4 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.4 | -179.9 | 176.7 | -97.3 | 0 | 0 | 0 | 109.9 | L1343 F1405 F1407 P1450 S1455 I1456 | L1343-Y1448 HydrophobicContact CD2-CD2 3.98Å; L1343-Y1448 HydrophobicContact CD2-CE2 4.46Å; F1405-Y1448 HydrophobicContact CB-CE2 3.65Å; F1405-Y1448 HydrophobicContact CD2-CD2 4.46Å; F1405-Y1448 AromaticContact CD2-CE2 3.82Å; F1405-Y1448 HydrophobicContact CD2-CE2 3.82Å; F1405-Y1448 AromaticContact CG-CE2 3.97Å; F1405-Y1448 HydrophobicContact CG-CE2 3.97Å; F1407-Y1448 HydrophobicContact CB-CD2 4.45Å; Y1448-P1450 HydrophobicContact CD1-CG 3.99Å; Y1448-P1450 HydrophobicContact CE1-CB 3.93Å; Y1448-P1450 HydrophobicContact CE1-CG 3.73Å; Y1448-S1455 CarbonylContact O-C 3.43Å; Y1448-S1455 WeakPolarHBondContact O-CA 3.19Å; Y1448-I1456 HydrophobicContact CD1-CD1 4.4Å; Y1448-I1456 PolarHBondContact N-O 2.7Å; Y1448-I1456 PolarHBondContact O-N 2.77Å |
| 1449 | I | 73.7 | Confident | 74 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 108 | -179.6 | -57.6 | 140.5 | 0 | 0 | 0 | 106.6 | F1222 M1406 Y1408 | F1222-I1449 HydrophobicContact CE2-CD1 3.67Å; F1222-I1449 HydrophobicContact CE2-CG1 4.36Å; F1222-I1449 HydrophobicContact CZ-CD1 3.99Å; M1406-I1449 HydrophobicContact CB-CB 4.2Å; M1406-I1449 HydrophobicContact CB-CD1 4.2Å; M1406-I1449 HydrophobicContact CE-CD1 4.13Å; M1406-I1449 HydrophobicContact CE-CG2 4.21Å; M1406-I1449 HydrophobicContact CG-CD1 4.01Å; M1406-I1449 PolarHBondContact N-O 2.78Å; M1406-I1449 VanDerWaalsContact N-O 3.07Å; M1406-I1449 PolarHBondContact O-N 3.13Å; M1406-I1449 HydrophobicContact SD-CD1 3.53Å; M1406-I1449 VanDerWaalsContact SD-CD1 3.53Å; Y1408-I1449 HydrophobicContact CD1-CD1 4.22Å; Y1408-I1449 HydrophobicContact CE1-CD1 4.02Å |
| 1450 | P | 63.3 | Low | 74.1 | Confident | 26 Ų | 26 | 33.8 Ų | 33.8 | 17% | 0.169 | 18% | 0.18 | C | C | . | . | trans | -76.3 | 170.7 | 173.1 | 0.8 | 16.3 | 0 | 0 | 0 | 111 | Y1448 N1452 G1453 Q1454 I1456 | Y1448-P1450 HydrophobicContact CD1-CG 3.99Å; Y1448-P1450 HydrophobicContact CE1-CB 3.93Å; Y1448-P1450 HydrophobicContact CE1-CG 3.73Å; P1450-N1452 WeakPolarHBondContact CB-OD1 3.35Å; P1450-N1452 WeakPolarHBondContact CD-OD1 3.43Å; P1450-N1452 WeakPolarHBondContact CG-OD1 3.48Å; P1450-N1452 PolarHBondContact O-N 3.11Å; P1450-G1453 PolarHBondContact O-N 3.12Å; P1450-Q1454 WeakPolarHBondContact CD-O 3.43Å; P1450-I1456 HydrophobicContact CG-CD1 3.81Å; P1450-I1456 HydrophobicContact CG-CG1 4.35Å | ||
| 1451 | N | 57.8 | Low | 74.1 | Confident | 107 Ų | 107 | 35.7 Ų | 35.7 | 57% | 0.572 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13.9 | 175.7 | -61.6 | 5.9 | 0 | 0 | 0 | 114.4 | P1404 G1453 | P1404-N1451 WeakPolarHBondContact CD-OD1 3.02Å; P1404-N1451 PolarHBondContact O-OD1 2.04Å; N1451-G1453 VanDerWaalsContact C-N 3.27Å |
| 1452 | N | 52.9 | Low | 74.1 | Confident | 98 Ų | 98 | 36.3 Ų | 36.3 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | 174.9 | 71.2 | -11.5 | 0 | 0 | 0 | 113.6 | P1450 Q1454 | P1450-N1452 WeakPolarHBondContact CB-OD1 3.35Å; P1450-N1452 WeakPolarHBondContact CD-OD1 3.43Å; P1450-N1452 WeakPolarHBondContact CG-OD1 3.48Å; P1450-N1452 PolarHBondContact O-N 3.11Å; N1452-Q1454 PolarHBondContact O-N 3.15Å; N1452-Q1454 VanDerWaalsContact O-N 3.13Å; N1452-Q1454 PolarHBondContact OD1-N 3.24Å; N1452-Q1454 VanDerWaalsContact OD1-N 3.15Å |
| 1453 | G | 54.5 | Low | 73.8 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 74 | -6.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1450 N1451 S1455 | P1450-G1453 PolarHBondContact O-N 3.12Å; N1451-G1453 VanDerWaalsContact C-N 3.27Å; G1453-S1455 PolarHBondContact O-N 3.18Å |
| 1454 | Q | 62.1 | Low | 73.6 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | trans | -87 | 102.8 | -176.1 | -172.2 | -176.7 | 1 | 0 | 0 | 110.3 | T1317 Y1322 P1450 N1452 I1456 | T1317-Q1454 VanDerWaalsContact CG2-NE2 3.29Å; Y1322-Q1454 PolarHBondContact OH-NE2 3.19Å; Y1322-Q1454 PolarHBondContact OH-OE1 2.94Å; Y1322-Q1454 VanDerWaalsContact OH-OE1 3.06Å; P1450-Q1454 WeakPolarHBondContact CD-O 3.43Å; N1452-Q1454 PolarHBondContact O-N 3.15Å; N1452-Q1454 VanDerWaalsContact O-N 3.13Å; N1452-Q1454 PolarHBondContact OD1-N 3.24Å; N1452-Q1454 VanDerWaalsContact OD1-N 3.15Å; Q1454-I1456 WeakPolarHBondContact O-CG1 3.35Å | ||
| 1455 | S | 67.7 | Low | 73.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -63.9 | 139 | 178.5 | 41.3 | 0 | 0 | 0 | 0 | 112.6 | I1223 A1316 T1317 Y1448 G1453 | I1223-S1455 WeakPolarHBondContact O-CB 3.14Å; I1223-S1455 PolarHBondContact O-OG 3.26Å; A1316-S1455 CarbonylContact C-O 3.36Å; A1316-S1455 WeakPolarHBondContact CA-O 3.08Å; A1316-S1455 WeakPolarHBondContact CB-O 3.49Å; A1316-S1455 WeakPolarHBondContact CB-OG 3.42Å; T1317-S1455 PolarHBondContact N-O 3.02Å; Y1448-S1455 CarbonylContact O-C 3.43Å; Y1448-S1455 WeakPolarHBondContact O-CA 3.19Å; G1453-S1455 PolarHBondContact O-N 3.18Å | ||
| 1456 | I | 72.4 | Confident | 72 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.2 | -175.6 | -45.8 | 175.9 | 0 | 0 | 0 | 108.3 | T1317 Y1322 I1325 V1447 Y1448 P1450 Q1454 | T1317-I1456 CarbonylContact O-C 3.02Å; T1317-I1456 WeakPolarHBondContact O-CA 3.35Å; Y1322-I1456 HydrophobicContact CD1-CD1 4.19Å; Y1322-I1456 HydrophobicContact CD2-CD1 4.39Å; Y1322-I1456 HydrophobicContact CG-CD1 3.87Å; I1325-I1456 HydrophobicContact CD1-CB 4.04Å; I1325-I1456 HydrophobicContact CD1-CG2 3.78Å; V1447-I1456 CarbonylContact C-O 3.52Å; V1447-I1456 WeakPolarHBondContact CA-O 3.28Å; Y1448-I1456 HydrophobicContact CD1-CD1 4.4Å; Y1448-I1456 PolarHBondContact N-O 2.7Å; Y1448-I1456 PolarHBondContact O-N 2.77Å; P1450-I1456 HydrophobicContact CG-CD1 3.81Å; P1450-I1456 HydrophobicContact CG-CG1 4.35Å; Q1454-I1456 WeakPolarHBondContact O-CG1 3.35Å |
| 1457 | V | 76.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.6 | -176.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | V1225 M1289 A1316 T1317 L1318 S1319 R1445 I1446 V1447 | V1225-V1457 HydrophobicContact CB-CG2 4.43Å; V1225-V1457 HydrophobicContact CG1-CG2 4.04Å; V1225-V1457 HydrophobicContact CG2-CG2 3.6Å; M1289-V1457 HydrophobicContact CE-CB 3.72Å; M1289-V1457 HydrophobicContact CE-CG2 3.54Å; M1289-V1457 HydrophobicContact SD-CG2 4.5Å; A1316-V1457 HydrophobicContact CB-CG2 3.92Å; T1317-V1457 PolarHBondContact O-N 3.47Å; L1318-V1457 HydrophobicContact CD1-CB 4.28Å; L1318-V1457 HydrophobicContact CD1-CG1 4.44Å; S1319-V1457 WeakPolarHBondContact CB-O 3.24Å; S1319-V1457 PolarHBondContact N-O 3.16Å; R1445-V1457 HydrophobicContact CB-CG1 4.29Å; R1445-V1457 HydrophobicContact CG-CG1 3.94Å; I1446-V1457 WeakPolarHBondContact O-CA 3.07Å; V1447-V1457 HydrophobicContact CG1-CG2 4.19Å; V1447-V1457 HydrophobicContact CG2-CG1 4.34Å; V1447-V1457 HydrophobicContact CG2-CG2 4.13Å |
| 1458 | S | 75.6 | Confident | 69 | Low | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 161.8 | 176.1 | 80.1 | 0 | 0 | 0 | 0 | 112.1 | F1327 I1446 | F1327-S1458 WeakPolarHBondContact CE1-OG 3.07Å; I1446-S1458 PolarHBondContact N-OG 3.07Å; I1446-S1458 PolarHBondContact O-N 2.76Å |
| 1459 | H | 72.7 | Confident | 67.2 | Low | 68 Ų | 68 | 58.9 Ų | 58.9 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 146.2 | 158.5 | -62.7 | -97.9 | 0 | 0 | 0 | 110.8 | S1319 H1320 Y1324 | S1319-H1459 PolarHBondContact OG-CD2 3.23Å; H1320-H1459 AromaticContact CE1-CE1 3.25Å; H1320-H1459 PolarHBondContact CE1-CE1 3.24Å; H1320-H1459 AromaticContact CE1-ND1 3.88Å; H1320-H1459 AromaticContact CE1-NE2 3.9Å; H1320-H1459 AromaticContact ND1-CE1 3.93Å; H1320-H1459 AromaticContact NE2-CE1 3.52Å; Y1324-H1459 AromaticContact CD2-CD2 3.47Å; Y1324-H1459 VanDerWaalsContact CD2-CD2 3.47Å; Y1324-H1459 WeakPolarHBondContact CD2-CD2 3.27Å; Y1324-H1459 AromaticContact CD2-NE2 3.9Å; Y1324-H1459 HydrophobicContact CE2-CB 4.38Å; Y1324-H1459 AromaticContact CE2-CD2 3.69Å |
| 1460 | T | 78.5 | Confident | 65.2 | Low | 58 Ų | 58 | 66.5 Ų | 66.5 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 146.3 | 173.2 | 50.7 | 0 | 0 | 0 | 0 | 111 | W1419 E1443 I1444 R1445 | W1419-T1460 HydrophobicContact CH2-CG2 3.57Å; W1419-T1460 HydrophobicContact CZ2-CG2 4.27Å; W1419-T1460 HydrophobicContact CZ3-CG2 4.43Å; E1443-T1460 HydrophobicContact CG-CG2 3.9Å; E1443-T1460 WeakPolarHBondContact OE1-CB 2.93Å; E1443-T1460 VanDerWaalsContact OE1-CG2 3.25Å; E1443-T1460 WeakPolarHBondContact OE1-CG2 3.5Å; E1443-T1460 PolarHBondContact OE1-OG1 2.8Å; I1444-T1460 CarbonylContact O-C 3.58Å; I1444-T1460 WeakPolarHBondContact O-CA 3.4Å; R1445-T1460 HydrophobicContact CB-CG2 3.76Å; R1445-T1460 HydrophobicContact CG-CG2 4.17Å |
| 1461 | K | 79.8 | Confident | 63.5 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.5 | 167.7 | -67.7 | -172.7 | -174.1 | -173.1 | 0 | 108 | Y1324 F1327 I1329 I1444 | Y1324-K1461 WeakPolarHBondContact OH-CE 3.39Å; Y1324-K1461 PolarHBondContact OH-NZ 3.34Å; F1327-K1461 HydrophobicContact CD2-CD 4.34Å; F1327-K1461 HydrophobicContact CE1-CD 4.09Å; F1327-K1461 HydrophobicContact CE1-CG 4.22Å; F1327-K1461 HydrophobicContact CE2-CB 4.32Å; F1327-K1461 HydrophobicContact CE2-CD 3.71Å; F1327-K1461 HydrophobicContact CE2-CG 4.1Å; F1327-K1461 HydrophobicContact CZ-CB 4.04Å; F1327-K1461 HydrophobicContact CZ-CD 3.57Å; F1327-K1461 HydrophobicContact CZ-CG 3.58Å; F1327-K1461 PolarHBondContact O-NZ 3.28Å; I1329-K1461 HydrophobicContact CD1-CB 4.24Å; I1329-K1461 HydrophobicContact CD1-CD 4.5Å; I1444-K1461 PolarHBondContact N-O 2.64Å; I1444-K1461 PolarHBondContact O-N 2.71Å |
| 1462 | I | 84.5 | Confident | 62 | Low | 102 Ų | 102 | 76.2 Ų | 76.2 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.9 | 166.3 | -60.1 | 170.8 | 0 | 0 | 0 | 107.3 | L1414 Q1441 Y1442 E1443 | L1414-I1462 HydrophobicContact CD1-CD1 3.83Å; L1414-I1462 HydrophobicContact CD1-CG1 3.96Å; L1414-I1462 HydrophobicContact CD1-CG2 4.21Å; Q1441-I1462 HydrophobicContact CB-CG2 4.39Å; Y1442-I1462 CarbonylContact O-C 3.58Å; Y1442-I1462 WeakPolarHBondContact O-CA 3.31Å; E1443-I1462 HydrophobicContact CB-CG1 4.44Å; E1443-I1462 HydrophobicContact CG-CG1 4.22Å |
| 1463 | I | 80.9 | Confident | 60.8 | Low | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 158.1 | 166.9 | 62.2 | 169.3 | 0 | 0 | 0 | 109.8 | I1329 I1339 Q1441 Y1442 I1444 I1465 | I1329-I1463 HydrophobicContact CD1-CG2 3.43Å; I1329-I1463 VanDerWaalsContact CD1-CG2 3.43Å; I1339-I1463 HydrophobicContact CD1-CD1 3.28Å; Q1441-I1463 CarbonylContact C-O 3.5Å; Q1441-I1463 WeakPolarHBondContact CA-O 2.64Å; Y1442-I1463 PolarHBondContact N-O 2.71Å; Y1442-I1463 PolarHBondContact O-N 3.26Å; I1444-I1463 HydrophobicContact CD1-CD1 3.52Å; I1444-I1463 HydrophobicContact CD1-CG1 3.88Å; I1463-I1465 HydrophobicContact CD1-CD1 3.74Å; I1463-I1465 HydrophobicContact CG1-CD1 4.47Å |
| 1464 | H | 81.9 | Confident | 59.5 | Low | 88 Ų | 88 | 83.4 Ų | 83.4 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.9 | 167.2 | 169.8 | 68.5 | 0 | 0 | 0 | 107.6 | D1439 Q1441 P1466 | D1439-H1464 PolarHBondContact O-CE1 3.08Å; D1439-H1464 PolarHBondContact O-ND1 2.8Å; D1439-H1464 VanDerWaalsContact O-ND1 3.15Å; D1439-H1464 IonicContact OD1-CE1 3.31Å; D1439-H1464 PolarHBondContact OD1-CE1 2.82Å; D1439-H1464 VanDerWaalsContact OD1-CE1 3.31Å; D1439-H1464 IonicContact OD1-NE2 3.93Å; Q1441-H1464 HydrophobicContact CG-CB 4.07Å; H1464-P1466 VanDerWaalsContact O-CD 3.29Å; H1464-P1466 WeakPolarHBondContact O-CD 3.1Å |
| 1465 | I | 77.7 | Confident | 57.8 | Low | 9 Ų | 9 | 87.5 Ų | 87.5 | 5% | 0.046 | 45% | 0.446 | C | S | . | . | trans | -90.5 | 100.1 | 178 | -56.4 | -59.1 | 0 | 0 | 0 | 108.3 | I1339 L1436 N1437 D1439 S1440 Y1442 I1463 | I1339-I1465 HydrophobicContact CG2-CD1 4.3Å; L1436-I1465 HydrophobicContact CB-CD1 4.27Å; L1436-I1465 HydrophobicContact CB-CG1 4.15Å; L1436-I1465 HydrophobicContact CD1-CD1 3.82Å; L1436-I1465 HydrophobicContact CD1-CG1 4.48Å; N1437-I1465 WeakPolarHBondContact O-CB 3.37Å; D1439-I1465 WeakPolarHBondContact CA-O 3.05Å; D1439-I1465 PolarHBondContact N-O 2.86Å; S1440-I1465 PolarHBondContact O-N 3.34Å; Y1442-I1465 HydrophobicContact CD2-CG1 4.01Å; Y1442-I1465 HydrophobicContact CE2-CG1 4.22Å; I1463-I1465 HydrophobicContact CD1-CD1 3.74Å; I1463-I1465 HydrophobicContact CG1-CD1 4.47Å | ||
| 1466 | P | 59.9 | Low | 56 | Low | 89 Ų | 89 | 93 Ų | 93 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | trans | -72.8 | 145.2 | -160.6 | 29.9 | -36.5 | 0 | 0 | 0 | 113.4 | H1464 | H1464-P1466 VanDerWaalsContact O-CD 3.29Å; H1464-P1466 WeakPolarHBondContact O-CD 3.1Å | ||
| 1467 | I | 56.7 | Low | 54.1 | Low | 123 Ų | 123 | 100.7 Ų | 100.7 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | trans | -72.9 | 132.9 | 162.2 | -56.1 | 177.6 | 0 | 0 | 0 | 108.5 | D1439 N1469 | D1439-I1467 HydrophobicContact CB-CD1 4Å; D1439-I1467 HydrophobicContact CB-CG1 4.06Å; D1439-I1467 WeakPolarHBondContact OD1-CD1 3.49Å; I1467-N1469 PolarHBondContact O-N 3.34Å | ||
| 1468 | N | 44.3 | Very low | 51.9 | Low | 132 Ų | 132 | 110 Ų | 110 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | trans | -79.7 | 106.4 | -164.9 | -161 | 19.5 | 0 | 0 | 0 | 112.7 | ||||
| 1469 | N | 37.4 | Very low | 49.8 | Very low | 142 Ų | 142 | 118 Ų | 118 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | trans | -163.2 | 115.3 | 160.8 | -103.8 | -29.4 | 0 | 0 | 0 | 115.4 | I1467 | I1467-N1469 PolarHBondContact O-N 3.34Š| ||
| 1470 | Q | 32 | Very low | 47.7 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | trans | 54.9 | 116.9 | 149.4 | -58.7 | -171.3 | -15.3 | 0 | 0 | 123.1 | ||||
| 1471 | Y | 26.6 | Very low | 45.4 | Very low | 210 Ų | 210 | 123 Ų | 123 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | trans | 16.1 | 131.3 | 143.1 | -61 | -93.1 | 0 | 0 | 0 | 122.2 | ||||
| 1472 | T | 27.3 | Very low | 42.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | 179.4 | 126.8 | 94.5 | 29 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1473 | I | 27.2 | Very low | 40.3 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | trans | 18.7 | 138 | 135.3 | -26.4 | 174.7 | 0 | 0 | 0 | 121.3 | ||||
| 1474 | I | 28.3 | Very low | 37.9 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | 164.8 | 121 | 119.9 | -84.3 | 165.3 | 0 | 0 | 0 | 114 | |||||
| 1475 | N | 25.8 | Very low | 35.6 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | 34.6 | 156.7 | 142.1 | -64.3 | -3.3 | 0 | 0 | 0 | 122.8 | ||||
| 1476 | N | 29 | Very low | 33.7 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | cis | -157.8 | 174.4 | -2.6 | -102.7 | -20.5 | 0 | 0 | 0 | 106.2 | ||||
| 1477 | Q | 34 | Very low | 33.1 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | cis | -141.3 | 148.6 | 18.2 | -57.3 | 167.3 | -11.3 | 0 | 0 | 108 | ||||
| 1478 | W | 29.1 | Very low | 32.5 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | cis | 93.9 | 106 | 9.7 | -67.5 | 80.8 | 0 | 0 | 0 | 119.7 | ||||
| 1479 | K | 31.6 | Very low | 32.9 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | trans | 63.8 | 96.2 | 145.3 | -74.7 | 178.5 | 176.1 | 166.7 | 0 | 121 | ||||
| 1480 | L | 28.6 | Very low | 33.7 | Very low | 106 Ų | 106 | 150 Ų | 150 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | -130.8 | 152.9 | 116 | -74.6 | 97.5 | 0 | 0 | 0 | 106.6 | N1388 | N1388-L1480 VanDerWaalsContact CG-O 3.26Å; N1388-L1480 PolarHBondContact OD1-O 3.48Å | |||
| 1481 | L | 30 | Very low | 34.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 67% | 0.665 | 69% | 0.694 | S | S | * | * | cis | -151.6 | 126.1 | -9.4 | -112.2 | 164.1 | 0 | 0 | 0 | 107 | ||||
| 1482 | F | 27.8 | Very low | 36 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 69% | 0.689 | 68% | 0.679 | S | S | * | * | trans | -158.5 | 140.6 | 148 | -108.8 | -73.3 | 0 | 0 | 0 | 110.1 | S1390 N1391 | S1390-F1482 VanDerWaalsContact OG-CD2 3.32Å; S1390-F1482 WeakPolarHBondContact OG-CD2 3.16Å; N1391-F1482 HydrophobicContact CB-CE2 4.15Å; N1391-F1482 WeakPolarHBondContact ND2-CD2 2.96Å; N1391-F1482 WeakPolarHBondContact ND2-CE2 3.39Å | ||
| 1483 | K | 29.6 | Very low | 37.5 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -81.9 | 154.9 | 174.5 | -72.9 | -179.4 | 175.5 | 177.9 | 0 | 110.6 | ||||
| 1484 | N | 30.4 | Very low | 39 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 65% | 0.654 | S | S | * | * | trans | 61.8 | 98.8 | 172 | -64.8 | 7.6 | 0 | 0 | 0 | 114.7 | ||||
| 1485 | N | 35.1 | Very low | 40.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | cis | 78.3 | 143.5 | 30.6 | -151.7 | 14.4 | 0 | 0 | 0 | 115.3 | Y1487 | N1485-Y1487 VanDerWaalsContact C-N 3.34Å; N1485-Y1487 PolarHBondContact O-N 3.46Å | ||
| 1486 | Q | 36.9 | Very low | 41.7 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 60.3 | -9.6 | 169.9 | -79.4 | 180 | -43.1 | 0 | 0 | 121.9 | ||
| 1487 | Y | 47.9 | Very low | 43 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -104.2 | -26.8 | 176.6 | -85.1 | -88.1 | 0 | 0 | 0 | 116.6 | N1485 I1490 I1491 | N1485-Y1487 VanDerWaalsContact C-N 3.34Å; N1485-Y1487 PolarHBondContact O-N 3.46Å; Y1487-I1490 PolarHBondContact O-N 3.04Å; Y1487-I1491 HydrophobicContact CD1-CD1 4.39Å; Y1487-I1491 WeakPolarHBondContact O-CB 3.24Å; Y1487-I1491 VanDerWaalsContact O-CG1 3.31Å; Y1487-I1491 WeakPolarHBondContact O-CG1 3.31Å; Y1487-I1491 PolarHBondContact O-N 3.43Å |
| 1488 | F | 44.5 | Very low | 43.9 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 66% | 0.658 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.9 | -27.9 | -163.2 | -131.7 | -87.5 | 0 | 0 | 0 | 117.3 | I1491 M1492 | F1488-I1491 CarbonylContact O-C 3.54Å; F1488-I1491 PolarHBondContact O-N 2.98Å; F1488-M1492 WeakPolarHBondContact O-CB 3.4Å; F1488-M1492 PolarHBondContact O-N 2.69Å |
| 1489 | I | 50.8 | Low | 45 | Very low | 138 Ų | 138 | 120.7 Ų | 120.7 | 71% | 0.708 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.6 | -38.6 | 173.5 | -67.1 | 174.7 | 0 | 0 | 0 | 110.4 | I1491 M1492 I1493 | I1489-I1491 VanDerWaalsContact C-N 3.31Å; I1489-I1491 PolarHBondContact O-N 3.28Å; I1489-M1492 PolarHBondContact O-N 3.02Å; I1489-I1493 HydrophobicContact CG2-CD1 4.38Å; I1489-I1493 PolarHBondContact O-N 2.89Å |
| 1490 | I | 55.9 | Low | 46.1 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.4 | -47.7 | 168.4 | -71 | 177.8 | 0 | 0 | 0 | 108.8 | Y1487 M1492 I1493 L1494 | Y1487-I1490 PolarHBondContact O-N 3.04Å; I1490-M1492 PolarHBondContact O-N 2.88Å; I1490-I1493 PolarHBondContact O-N 2.76Å; I1490-L1494 HydrophobicContact CG2-CD1 3.6Å; I1490-L1494 WeakPolarHBondContact O-CA 3.44Å; I1490-L1494 WeakPolarHBondContact O-CB 3.42Å; I1490-L1494 PolarHBondContact O-N 3.25Å |
| 1491 | I | 54.8 | Low | 47.3 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.1 | -21.1 | 176.7 | -71.8 | 171.9 | 0 | 0 | 0 | 114.1 | Y1487 F1488 I1489 L1494 S1495 | Y1487-I1491 HydrophobicContact CD1-CD1 4.39Å; Y1487-I1491 WeakPolarHBondContact O-CB 3.24Å; Y1487-I1491 VanDerWaalsContact O-CG1 3.31Å; Y1487-I1491 WeakPolarHBondContact O-CG1 3.31Å; Y1487-I1491 PolarHBondContact O-N 3.43Å; F1488-I1491 CarbonylContact O-C 3.54Å; F1488-I1491 PolarHBondContact O-N 2.98Å; I1489-I1491 VanDerWaalsContact C-N 3.31Å; I1489-I1491 PolarHBondContact O-N 3.28Å; I1491-L1494 CarbonylContact O-C 3.58Å; I1491-S1495 WeakPolarHBondContact O-CA 3.18Å; I1491-S1495 WeakPolarHBondContact O-CB 3.49Å; I1491-S1495 PolarHBondContact O-N 2.95Å; I1491-S1495 PolarHBondContact O-OG 2.93Å |
| 1492 | M | 51.5 | Low | 48.1 | Very low | 105 Ų | 105 | 113 Ų | 113 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -80.4 | -40.4 | 172.7 | -104.9 | -72.3 | -72 | 0 | 0 | 112.1 | F1488 I1489 I1490 L1494 S1495 C1496 | F1488-M1492 WeakPolarHBondContact O-CB 3.4Å; F1488-M1492 PolarHBondContact O-N 2.69Å; I1489-M1492 PolarHBondContact O-N 3.02Å; I1490-M1492 PolarHBondContact O-N 2.88Å; M1492-L1494 VanDerWaalsContact C-N 3.34Å; M1492-S1495 WeakPolarHBondContact CA-OG 3.34Å; M1492-S1495 PolarHBondContact O-N 3.08Å; M1492-S1495 VanDerWaalsContact O-N 3.08Å; M1492-S1495 PolarHBondContact O-OG 2.86Å; M1492-S1495 VanDerWaalsContact O-OG 3.12Å; M1492-C1496 PolarHBondContact O-N 2.99Å |
| 1493 | I | 57.9 | Low | 48.9 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -37 | 171.3 | -64.6 | 174.9 | 0 | 0 | 0 | 109.5 | I1489 I1490 S1495 L1497 | I1489-I1493 HydrophobicContact CG2-CD1 4.38Å; I1489-I1493 PolarHBondContact O-N 2.89Å; I1490-I1493 PolarHBondContact O-N 2.76Å; I1493-S1495 VanDerWaalsContact C-N 3.29Å; I1493-S1495 PolarHBondContact O-N 3.47Å; I1493-L1497 WeakPolarHBondContact O-CB 3.49Å; I1493-L1497 WeakPolarHBondContact O-CD1 3.21Å; I1493-L1497 PolarHBondContact O-N 2.99Å |
| 1494 | L | 58.5 | Low | 49.5 | Very low | 77 Ų | 77 | 108.9 Ų | 108.9 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -80 | 11.2 | 165.2 | -78.1 | 146.1 | 0 | 0 | 0 | 114.4 | I1490 I1491 M1492 L1497 F1498 | I1490-L1494 HydrophobicContact CG2-CD1 3.6Å; I1490-L1494 WeakPolarHBondContact O-CA 3.44Å; I1490-L1494 WeakPolarHBondContact O-CB 3.42Å; I1490-L1494 PolarHBondContact O-N 3.25Å; I1491-L1494 CarbonylContact O-C 3.58Å; M1492-L1494 VanDerWaalsContact C-N 3.34Å; L1494-L1497 HydrophobicContact CD2-CB 4.44Å; L1494-F1498 VanDerWaalsContact C-N 3.33Å; L1494-F1498 WeakPolarHBondContact O-CA 3.3Å; L1494-F1498 WeakPolarHBondContact O-CB 2.99Å; L1494-F1498 VanDerWaalsContact O-CD2 3.27Å; L1494-F1498 WeakPolarHBondContact O-CD2 3.43Å; L1494-F1498 WeakPolarHBondContact O-CG 3.48Å; L1494-F1498 PolarHBondContact O-N 2.92Å |
| 1495 | S | 55.9 | Low | 49.8 | Very low | 34 Ų | 34 | 105 Ų | 105 | 24% | 0.238 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -113.5 | -27.1 | 165.2 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | I1491 M1492 I1493 L1497 L1499 | I1491-S1495 WeakPolarHBondContact O-CA 3.18Å; I1491-S1495 WeakPolarHBondContact O-CB 3.49Å; I1491-S1495 PolarHBondContact O-N 2.95Å; I1491-S1495 PolarHBondContact O-OG 2.93Å; M1492-S1495 WeakPolarHBondContact CA-OG 3.34Å; M1492-S1495 PolarHBondContact O-N 3.08Å; M1492-S1495 VanDerWaalsContact O-N 3.08Å; M1492-S1495 PolarHBondContact O-OG 2.86Å; M1492-S1495 VanDerWaalsContact O-OG 3.12Å; I1493-S1495 VanDerWaalsContact C-N 3.29Å; I1493-S1495 PolarHBondContact O-N 3.47Å; S1495-L1497 VanDerWaalsContact C-N 3.31Å; S1495-L1499 WeakPolarHBondContact O-CA 2.87Å; S1495-L1499 WeakPolarHBondContact O-CB 3.16Å; S1495-L1499 WeakPolarHBondContact O-CD1 3.23Å; S1495-L1499 WeakPolarHBondContact O-CG 2.92Å; S1495-L1499 PolarHBondContact O-N 2.98Å |
| 1496 | C | 54.9 | Low | 49.7 | Very low | 73 Ų | 73 | 102.5 Ų | 102.5 | 49% | 0.493 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 153.8 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | M1492 L1500 | M1492-C1496 PolarHBondContact O-N 2.99Å; C1496-L1500 WeakPolarHBondContact O-CB 3.02Å; C1496-L1500 WeakPolarHBondContact O-CD1 3.32Å; C1496-L1500 PolarHBondContact O-N 3.18Å |
| 1497 | L | 58.2 | Low | 49.6 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.4 | -34.7 | 169.4 | -91.1 | 73.3 | 0 | 0 | 0 | 113.7 | I1493 L1494 S1495 L1500 I1501 | I1493-L1497 WeakPolarHBondContact O-CB 3.49Å; I1493-L1497 WeakPolarHBondContact O-CD1 3.21Å; I1493-L1497 PolarHBondContact O-N 2.99Å; L1494-L1497 HydrophobicContact CD2-CB 4.44Å; S1495-L1497 VanDerWaalsContact C-N 3.31Å; L1497-L1500 CarbonylContact O-C 3.56Å; L1497-L1500 PolarHBondContact O-N 2.83Å; L1497-I1501 HydrophobicContact CB-CD1 4.15Å; L1497-I1501 HydrophobicContact CD2-CD1 4.34Å; L1497-I1501 HydrophobicContact CG-CD1 4.38Å; L1497-I1501 WeakPolarHBondContact O-CA 3.37Å; L1497-I1501 WeakPolarHBondContact O-CB 3.28Å; L1497-I1501 WeakPolarHBondContact O-CG1 3.25Å; L1497-I1501 PolarHBondContact O-N 2.98Å |
| 1498 | F | 52.5 | Low | 48.9 | Very low | 119 Ų | 119 | 93 Ų | 93 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.8 | -22.8 | 170.2 | -101.6 | -121 | 0 | 0 | 0 | 113.2 | L1494 I1501 S1502 | L1494-F1498 VanDerWaalsContact C-N 3.33Å; L1494-F1498 WeakPolarHBondContact O-CA 3.3Å; L1494-F1498 WeakPolarHBondContact O-CB 2.99Å; L1494-F1498 VanDerWaalsContact O-CD2 3.27Å; L1494-F1498 WeakPolarHBondContact O-CD2 3.43Å; L1494-F1498 WeakPolarHBondContact O-CG 3.48Å; L1494-F1498 PolarHBondContact O-N 2.92Å; F1498-I1501 PolarHBondContact O-N 3.14Å; F1498-S1502 WeakPolarHBondContact O-CA 3.11Å; F1498-S1502 WeakPolarHBondContact O-CB 3.28Å; F1498-S1502 PolarHBondContact O-N 3.08Å; F1498-S1502 PolarHBondContact O-OG 2.96Å |
| 1499 | L | 51.8 | Low | 48.5 | Very low | 113 Ų | 113 | 91.1 Ų | 91.1 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -79.4 | -28.1 | 171.3 | -69.3 | 166.5 | 0 | 0 | 0 | 110.5 | S1495 | S1495-L1499 WeakPolarHBondContact O-CA 2.87Å; S1495-L1499 WeakPolarHBondContact O-CB 3.16Å; S1495-L1499 WeakPolarHBondContact O-CD1 3.23Å; S1495-L1499 WeakPolarHBondContact O-CG 2.92Å; S1495-L1499 PolarHBondContact O-N 2.98Å |
| 1500 | L | 53.7 | Low | 48.3 | Very low | 119 Ų | 119 | 89.8 Ų | 89.8 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.2 | -28.1 | 163.6 | -95 | 71.7 | 0 | 0 | 0 | 113.9 | C1496 L1497 I1504 | C1496-L1500 WeakPolarHBondContact O-CB 3.02Å; C1496-L1500 WeakPolarHBondContact O-CD1 3.32Å; C1496-L1500 PolarHBondContact O-N 3.18Å; L1497-L1500 CarbonylContact O-C 3.56Å; L1497-L1500 PolarHBondContact O-N 2.83Å; L1500-I1504 WeakPolarHBondContact O-CB 3.21Å; L1500-I1504 WeakPolarHBondContact O-CD1 3.17Å; L1500-I1504 WeakPolarHBondContact O-CG1 3.33Å |
| 1501 | I | 54.5 | Low | 47.3 | Very low | 73 Ų | 73 | 90.2 Ų | 90.2 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -106.6 | -33.4 | -170.1 | -65.7 | 169.1 | 0 | 0 | 0 | 113.1 | L1497 F1498 I1504 S1505 | L1497-I1501 HydrophobicContact CB-CD1 4.15Å; L1497-I1501 HydrophobicContact CD2-CD1 4.34Å; L1497-I1501 HydrophobicContact CG-CD1 4.38Å; L1497-I1501 WeakPolarHBondContact O-CA 3.37Å; L1497-I1501 WeakPolarHBondContact O-CB 3.28Å; L1497-I1501 WeakPolarHBondContact O-CG1 3.25Å; L1497-I1501 PolarHBondContact O-N 2.98Å; F1498-I1501 PolarHBondContact O-N 3.14Å; I1501-I1504 CarbonylContact O-C 3.58Å; I1501-I1504 VanDerWaalsContact O-C 3.23Å; I1501-I1504 WeakPolarHBondContact O-CA 3.32Å; I1501-I1504 PolarHBondContact O-N 2.66Å; I1501-I1504 VanDerWaalsContact O-N 3.07Å; I1501-S1505 WeakPolarHBondContact O-CA 3.2Å; I1501-S1505 VanDerWaalsContact O-CB 3.23Å; I1501-S1505 WeakPolarHBondContact O-CB 3.43Å; I1501-S1505 PolarHBondContact O-N 2.75Å; I1501-S1505 PolarHBondContact O-OG 2.76Å; I1501-S1505 VanDerWaalsContact O-OG 3.14Å |
| 1502 | S | 46.7 | Very low | 46.3 | Very low | 47 Ų | 47 | 95.9 Ų | 95.9 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.8 | -31.3 | 177.8 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | F1498 I1504 S1505 C1506 | F1498-S1502 WeakPolarHBondContact O-CA 3.11Å; F1498-S1502 WeakPolarHBondContact O-CB 3.28Å; F1498-S1502 PolarHBondContact O-N 3.08Å; F1498-S1502 PolarHBondContact O-OG 2.96Å; S1502-I1504 PolarHBondContact O-N 2.71Å; S1502-S1505 PolarHBondContact O-N 3.39Å; S1502-C1506 PolarHBondContact O-N 2.77Å |
| 1503 | L | 44.1 | Very low | 45.3 | Very low | 132 Ų | 132 | 100.5 Ų | 100.5 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -15.5 | 162.3 | -79.5 | 169.6 | 0 | 0 | 0 | 112.5 | S1507 | L1503-S1507 PolarHBondContact O-OG 3.5Å |
| 1504 | I | 44.1 | Very low | 44.7 | Very low | 124 Ų | 124 | 105 Ų | 105 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -103.9 | -12 | 174.7 | -65.5 | -173.7 | 0 | 0 | 0 | 112.3 | L1500 I1501 S1502 | L1500-I1504 WeakPolarHBondContact O-CB 3.21Å; L1500-I1504 WeakPolarHBondContact O-CD1 3.17Å; L1500-I1504 WeakPolarHBondContact O-CG1 3.33Å; I1501-I1504 CarbonylContact O-C 3.58Å; I1501-I1504 VanDerWaalsContact O-C 3.23Å; I1501-I1504 WeakPolarHBondContact O-CA 3.32Å; I1501-I1504 PolarHBondContact O-N 2.66Å; I1501-I1504 VanDerWaalsContact O-N 3.07Å; S1502-I1504 PolarHBondContact O-N 2.71Å |
| 1505 | S | 36.2 | Very low | 43.3 | Very low | 72 Ų | 72 | 106.1 Ų | 106.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -144.4 | 19.8 | -170.5 | 94.2 | 0 | 0 | 0 | 0 | 118 | I1501 S1502 | I1501-S1505 WeakPolarHBondContact O-CA 3.2Å; I1501-S1505 VanDerWaalsContact O-CB 3.23Å; I1501-S1505 WeakPolarHBondContact O-CB 3.43Å; I1501-S1505 PolarHBondContact O-N 2.75Å; I1501-S1505 PolarHBondContact O-OG 2.76Å; I1501-S1505 VanDerWaalsContact O-OG 3.14Å; S1502-S1505 PolarHBondContact O-N 3.39Å |
| 1506 | C | 33.3 | Very low | 42 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 57% | 0.568 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -89.7 | -18.7 | 139 | -158 | 0 | 0 | 0 | 0 | 111.2 | S1502 C1508 L1509 L1510 | S1502-C1506 PolarHBondContact O-N 2.77Å; C1506-C1508 PolarHBondContact O-N 3.32Å; C1506-L1509 PolarHBondContact O-N 2.83Å; C1506-L1510 WeakPolarHBondContact O-CD1 3.35Å; C1506-L1510 PolarHBondContact O-N 3.47Å |
| 1507 | S | 34.1 | Very low | 41.2 | Very low | 51 Ų | 51 | 116.9 Ų | 116.9 | 36% | 0.357 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.4 | 1.9 | 169 | -42 | 0 | 0 | 0 | 0 | 115.7 | L1503 L1510 | L1503-S1507 PolarHBondContact O-OG 3.5Å; S1507-L1510 WeakPolarHBondContact O-CB 3.41Å |
| 1508 | C | 32.4 | Very low | 40 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 52% | 0.52 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121 | -10.1 | 174.7 | -71.2 | 0 | 0 | 0 | 0 | 115.5 | C1506 L1510 I1511 | C1506-C1508 PolarHBondContact O-N 3.32Å; C1508-L1510 VanDerWaalsContact C-N 3.3Å; C1508-I1511 WeakPolarHBondContact O-CB 3.32Å; C1508-I1511 PolarHBondContact O-N 2.8Å; C1508-I1511 VanDerWaalsContact O-N 3.1Å |
| 1509 | L | 37.5 | Very low | 39 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -81 | -22.7 | 156.3 | -112.3 | 164.7 | 0 | 0 | 0 | 110.6 | C1506 I1511 Y1512 Y1513 | C1506-L1509 PolarHBondContact O-N 2.83Å; L1509-I1511 PolarHBondContact O-N 3.28Å; L1509-Y1512 PolarHBondContact O-N 3.22Å; L1509-Y1512 VanDerWaalsContact O-N 3.08Å; L1509-Y1513 PolarHBondContact O-N 3.34Å; L1509-Y1513 VanDerWaalsContact O-N 3.12Å |
| 1510 | L | 46.8 | Very low | 38.1 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 58% | 0.576 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -53.2 | 4.4 | 147.8 | -91.3 | 84.5 | 0 | 0 | 0 | 115.2 | C1506 S1507 C1508 W1514 | C1506-L1510 WeakPolarHBondContact O-CD1 3.35Å; C1506-L1510 PolarHBondContact O-N 3.47Å; S1507-L1510 WeakPolarHBondContact O-CB 3.41Å; C1508-L1510 VanDerWaalsContact C-N 3.3Å; L1510-W1514 VanDerWaalsContact O-CB 3.29Å; L1510-W1514 WeakPolarHBondContact O-CB 3.33Å |
| 1511 | I | 35.1 | Very low | 37.1 | Very low | 106 Ų | 106 | 122 Ų | 122 | 54% | 0.544 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -118.5 | -17 | 168.9 | -64 | 178.6 | 0 | 0 | 0 | 112.7 | C1508 L1509 W1514 | C1508-I1511 WeakPolarHBondContact O-CB 3.32Å; C1508-I1511 PolarHBondContact O-N 2.8Å; C1508-I1511 VanDerWaalsContact O-N 3.1Å; L1509-I1511 PolarHBondContact O-N 3.28Å; I1511-W1514 WeakPolarHBondContact O-CB 3.47Å |
| 1512 | Y | 32.4 | Very low | 35.9 | Very low | 195 Ų | 195 | 128 Ų | 128 | 77% | 0.765 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -33.8 | -178.6 | -169.3 | -108.3 | 0 | 0 | 0 | 114.9 | L1509 W1514 | L1509-Y1512 PolarHBondContact O-N 3.22Å; L1509-Y1512 VanDerWaalsContact O-N 3.08Å; Y1512-W1514 PolarHBondContact O-N 3.24Å |
| 1513 | Y | 31.8 | Very low | 35.1 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -77 | -4.6 | 161.8 | -122.9 | -81.6 | 0 | 0 | 0 | 112.3 | L1509 S1515 | L1509-Y1513 PolarHBondContact O-N 3.34Å; L1509-Y1513 VanDerWaalsContact O-N 3.12Å; Y1513-S1515 PolarHBondContact O-N 2.9Å |
| 1514 | W | 43.9 | Very low | 34.3 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 27.5 | 178.6 | -150.3 | 71.9 | 0 | 0 | 0 | 113.8 | L1510 I1511 Y1512 | L1510-W1514 VanDerWaalsContact O-CB 3.29Å; L1510-W1514 WeakPolarHBondContact O-CB 3.33Å; I1511-W1514 WeakPolarHBondContact O-CB 3.47Å; Y1512-W1514 PolarHBondContact O-N 3.24Å |
| 1515 | S | 30 | Very low | 33.5 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | -7.5 | -161.9 | -158.7 | 0 | 0 | 0 | 0 | 115.9 | Y1513 | Y1513-S1515 PolarHBondContact O-N 2.9Š|
| 1516 | K | 28.5 | Very low | 33.2 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -163.8 | 129.5 | 174.6 | -97.8 | 176.3 | -177.4 | 173.7 | 0 | 108.6 | ||
| 1517 | H | 37.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | cis | -125.2 | 132.6 | -2.4 | -102.1 | -125.5 | 0 | 0 | 0 | 107.9 | ||||
| 1518 | K | 33 | Very low | 32.4 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 68% | 0.683 | 69% | 0.686 | S | S | * | * | 66.5 | 133.6 | 78.7 | -76.9 | -163.9 | 165.4 | -137.1 | 0 | 115.1 | |||||
| 1519 | Q | 32.8 | Very low | 32.1 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | cis | -171.1 | -178.6 | -9.3 | -126.8 | 167.9 | -16.8 | 0 | 0 | 110.4 | ||||
| 1520 | S | 31.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | 79.8 | 149.5 | 173.4 | -88.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1521 | I | 32.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | cis | 155.7 | 141.6 | -14.3 | -99.9 | 169.1 | 0 | 0 | 0 | 106 | ||||
| 1522 | R | 30.3 | Very low | 30.4 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 75% | 0.751 | 72% | 0.722 | S | S | * | * | cis | -159.1 | 132.9 | 3.8 | -110.4 | 170.7 | -154.2 | 140.4 | -0.1 | 113 | ||||
| 1523 | L | 30 | Very low | 30.1 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | 46.4 | 133.8 | 124 | -63.7 | -179.3 | 0 | 0 | 0 | 125.6 | |||||
| 1524 | K | 27.2 | Very low | 30 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | 106.6 | 106.8 | 118.6 | -92.7 | 178 | 179.6 | -178.2 | 0 | 123.8 | |||||
| 1525 | K | 27.8 | Very low | 29.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | 84.8 | 142.8 | 109.5 | -98.6 | -169.3 | 163.7 | -148.2 | 0 | 123.7 | |||||
| 1526 | I | 28.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 150 Ų | 150 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | trans | 69.3 | 118.6 | 147.2 | -71.7 | 173.3 | 0 | 0 | 0 | 115.2 | ||||
| 1527 | S | 25.4 | Very low | 29.3 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | 97.6 | 152.4 | 34.1 | 79.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1528 | D | 26 | Very low | 28.9 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 84.3 | 95.6 | 162.9 | -52.3 | -58.6 | 0 | 0 | 0 | 120.8 | ||||
| 1529 | S | 27 | Very low | 28.8 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | 104.5 | 160.5 | 116.7 | 79.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1530 | L | 30.4 | Very low | 28.7 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | trans | 63 | 103.6 | 169.7 | -53.4 | 176.1 | 0 | 0 | 0 | 115.1 | ||||
| 1531 | R | 25.2 | Very low | 28.5 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 82% | 0.823 | 69% | 0.688 | S | S | * | * | cis | 68.9 | 116.6 | 22.9 | -169.3 | 173.7 | -174.5 | 178.7 | 4.7 | 116.2 | ||||
| 1532 | N | 27.1 | Very low | 28.4 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 60% | 0.604 | 67% | 0.671 | S | S | * | * | trans | 82.3 | 133.8 | 162.3 | -70.7 | 7.7 | 0 | 0 | 0 | 120.4 | ||||
| 1533 | R | 26.9 | Very low | 28.2 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | trans | 79.1 | 145.8 | 164.6 | -67.5 | 171.9 | -75.3 | -154.5 | -2.2 | 115.9 | ||||
| 1534 | Y | 28.4 | Very low | 28.1 | Very low | 214 Ų | 214 | 128.9 Ų | 128.9 | 84% | 0.839 | 65% | 0.647 | S | S | * | * | cis | -125.2 | 155.9 | 16.4 | -124 | -80.8 | 0 | 0 | 0 | 114.9 | ||||
| 1535 | N | 28.8 | Very low | 28.1 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -82.8 | 151.5 | 172.5 | -58.7 | -1.2 | 0 | 0 | 0 | 111.6 | ||||
| 1536 | S | 31 | Very low | 28.1 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | trans | -167.7 | 111 | 132.9 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1537 | N | 29 | Very low | 28 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 68% | 0.684 | 63% | 0.631 | S | S | * | * | 30 | 138.8 | 122.2 | -61.6 | 31.1 | 0 | 0 | 0 | 118.6 | |||||
| 1538 | N | 29 | Very low | 28.1 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | cis | -164.4 | 152.5 | 17.9 | -120 | 20.9 | 0 | 0 | 0 | 111.7 | ||||
| 1539 | N | 31.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | trans | 62.9 | 154.7 | 150.5 | -57 | 20.1 | 0 | 0 | 0 | 119.4 | ||||
| 1540 | N | 29.3 | Very low | 28 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | cis | -172.2 | 175.4 | -24.8 | -94.7 | -14 | 0 | 0 | 0 | 110.3 | M1567 E1568 | N1540-M1567 WeakPolarHBondContact CB-O 3.13Å; N1540-M1567 PolarHBondContact ND2-O 2.99Å; N1540-M1567 PolarHBondContact OD1-O 3.36Å; N1540-E1568 CarbonylContact C-O 3.53Å; N1540-E1568 VanDerWaalsContact C-O 3.28Å; N1540-E1568 HydrophobicContact CB-CB 3.98Å; N1540-E1568 PolarHBondContact ND2-OE2 3.42Å | ||
| 1541 | N | 29 | Very low | 27.9 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | cis | 170.8 | -154.8 | -47.7 | -105.3 | -25.4 | 0 | 0 | 0 | 113.7 | S1566 M1567 E1568 | N1541-S1566 WeakPolarHBondContact CB-O 3.2Å; N1541-S1566 PolarHBondContact OD1-O 2.89Å; N1541-M1567 WeakPolarHBondContact CB-O 3.35Å; N1541-E1568 VanDerWaalsContact C-N 3.28Å; N1541-E1568 CarbonylContact C-O 3.51Å; N1541-E1568 PolarHBondContact N-O 2.83Å; N1541-E1568 CarbonylContact O-C 3.58Å | ||
| 1542 | N | 28.7 | Very low | 27.8 | Very low | 51 Ų | 51 | 111.5 Ų | 111.5 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -58.5 | -175.7 | -172.2 | -55.1 | -21.4 | 0 | 0 | 0 | 118.5 | L1565 S1566 M1567 E1568 | N1542-L1565 WeakPolarHBondContact ND2-CD2 3.29Å; N1542-S1566 VanDerWaalsContact CB-O 3.26Å; N1542-S1566 WeakPolarHBondContact CB-O 3.1Å; N1542-S1566 VanDerWaalsContact CG-C 3.46Å; N1542-S1566 PolarHBondContact N-O 3.48Å; N1542-S1566 PolarHBondContact ND2-O 3.05Å; N1542-S1566 VanDerWaalsContact ND2-O 3.08Å; N1542-S1566 PolarHBondContact OD1-O 3.04Å; N1542-M1567 HydrophobicContact CB-SD 4.45Å; N1542-E1568 WeakPolarHBondContact O-CA 3.46Å; N1542-E1568 PolarHBondContact O-N 2.61Å |
| 1543 | N | 27.3 | Very low | 27.8 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 42% | 0.417 | 56% | 0.558 | S | S | . | * | cis | -175.4 | 172.2 | 27.2 | -138.6 | -7.6 | 0 | 0 | 0 | 117.1 | M1567 | N1543-M1567 HydrophobicContact CB-SD 3.52Å; N1543-M1567 VanDerWaalsContact CB-SD 3.52Å; N1543-M1567 PolarHBondContact ND2-SD 2.72Å | ||
| 1544 | I | 28.5 | Very low | 27.9 | Very low | 109 Ų | 109 | 110 Ų | 110 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | trans | 83 | 103.3 | 146.8 | -76.6 | 159.5 | 0 | 0 | 0 | 121.6 | ||||
| 1545 | D | 26.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 100.7 Ų | 100.7 | 66% | 0.658 | 52% | 0.518 | S | S | * | . | 67.3 | 165.1 | 124.6 | -51.4 | -18.8 | 0 | 0 | 0 | 125.8 | |||||
| 1546 | Y | 27.5 | Very low | 27.5 | Very low | 165 Ų | 165 | 99.7 Ų | 99.7 | 65% | 0.647 | 51% | 0.508 | S | S | * | . | trans | 83.3 | 125.9 | 170.1 | -62.7 | -87.2 | 0 | 0 | 0 | 117.6 | P1575 Q1576 | Y1546-P1575 VanDerWaalsContact O-CB 3.3Å; Y1546-P1575 WeakPolarHBondContact O-CB 2.96Å; Y1546-Q1576 PolarHBondContact O-N 3.24Å; Y1546-Q1576 VanDerWaalsContact O-N 3.17Å | ||
| 1547 | L | 26.2 | Very low | 27.4 | Very low | 85 Ų | 85 | 96.5 Ų | 96.5 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | cis | -170.5 | 161.2 | -1.1 | -175 | 64.1 | 0 | 0 | 0 | 110.8 | Q1576 Q1577 | L1547-Q1576 WeakPolarHBondContact O-CA 3.19Å; L1547-Q1577 WeakPolarHBondContact O-CG 2.89Å; L1547-Q1577 PolarHBondContact O-N 3.11Å | ||
| 1548 | H | 26.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | trans | 90.9 | 149.3 | 156.1 | -79.4 | 171.9 | 0 | 0 | 0 | 124.1 | Q1577 Q1578 | H1548-Q1577 VanDerWaalsContact CB-CD 3.48Å; H1548-Q1577 HydrophobicContact CB-CG 3.61Å; H1548-Q1577 VanDerWaalsContact O-CG 3.29Å; H1548-Q1577 WeakPolarHBondContact O-CG 3.04Å; H1548-Q1578 WeakPolarHBondContact O-CB 3.22Å; H1548-Q1578 VanDerWaalsContact O-CG 3.22Å; H1548-Q1578 WeakPolarHBondContact O-CG 3.2Å; H1548-Q1578 PolarHBondContact O-OE1 2.73Å | ||
| 1549 | S | 26.3 | Very low | 27.3 | Very low | 42 Ų | 42 | 99.9 Ų | 99.9 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | trans | 31.5 | 110.2 | 170 | 81.2 | 0 | 0 | 0 | 0 | 120.5 | Q1577 Q1578 | S1549-Q1577 PolarHBondContact OG-NE2 3.1Å; S1549-Q1578 WeakPolarHBondContact O-CB 3.22Å | ||
| 1550 | F | 25.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 100.7 Ų | 100.7 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | 69.6 | 145 | 76.6 | -71.7 | -69.4 | 0 | 0 | 0 | 114.2 | E1278 L1579 | E1278-F1550 HydrophobicContact CB-CB 4.01Å; E1278-F1550 HydrophobicContact CG-CB 3.6Å; E1278-F1550 HydrophobicContact CG-CG 4.24Å; F1550-L1579 WeakPolarHBondContact O-CD1 3.27Å; F1550-L1579 WeakPolarHBondContact O-CD2 3.26Å | |||
| 1551 | H | 27.1 | Very low | 27 | Very low | 97 Ų | 97 | 104.4 Ų | 104.4 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | cis | -155.2 | 151.4 | -37.8 | -144.5 | 70.2 | 0 | 0 | 0 | 103.9 | E1278 L1579 | E1278-H1551 HydrophobicContact CB-CB 3.41Å; E1278-H1551 VanDerWaalsContact CB-CB 3.41Å; E1278-H1551 HydrophobicContact CG-CB 4.5Å; E1278-H1551 CarbonylContact O-C 3.28Å; E1278-H1551 VanDerWaalsContact O-C 3.3Å; E1278-H1551 WeakPolarHBondContact O-CB 3.21Å; E1278-H1551 PolarHBondContact OE2-N 2.96Å; H1551-L1579 VanDerWaalsContact C-CD2 3.45Å; H1551-L1579 VanDerWaalsContact N-CD2 3.3Å; H1551-L1579 WeakPolarHBondContact O-CD2 3.04Å | ||
| 1552 | C | 24.6 | Very low | 26.8 | Very low | 48 Ų | 48 | 106.9 Ų | 106.9 | 32% | 0.324 | 52% | 0.521 | S | S | . | . | -163.1 | 125.2 | 51.1 | 151.9 | 0 | 0 | 0 | 0 | 107.4 | E1278 C1280 | E1278-C1552 WeakPolarHBondContact O-CB 3.21Å; C1280-C1552 HydrophobicContact CB-CB 3.98Å | |||
| 1553 | Q | 27.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 113 Ų | 113 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | trans | -122.3 | 154.3 | -172.8 | -147.9 | -175.5 | 26.1 | 0 | 0 | 113.1 | ||||
| 1554 | Q | 28.2 | Very low | 26.7 | Very low | 149 Ų | 149 | 117.2 Ų | 117.2 | 70% | 0.696 | 56% | 0.559 | S | S | * | * | trans | 12.8 | 125.8 | 166.2 | -74.4 | -171.5 | 15.3 | 0 | 0 | 119.2 | ||||
| 1555 | L | 26 | Very low | 26.7 | Very low | 19 Ų | 19 | 117.6 Ų | 117.6 | 10% | 0.099 | 56% | 0.561 | C | S | . | * | trans | -118.3 | 85.2 | 176 | -77.2 | 164.9 | 0 | 0 | 0 | 108.9 | M1 L4 I5 I8 | M1-L1555 HydrophobicContact CE-CD2 3.82Å; M1-L1555 HydrophobicContact CG-CD1 4.22Å; M1-L1555 HydrophobicContact CG-CD2 3.47Å; M1-L1555 VanDerWaalsContact CG-CD2 3.47Å; M1-L1555 HydrophobicContact SD-CD2 4.5Å; L4-L1555 HydrophobicContact CB-CB 3.97Å; L4-L1555 HydrophobicContact CB-CD1 3.42Å; L4-L1555 VanDerWaalsContact CB-CD1 3.42Å; L4-L1555 HydrophobicContact CB-CG 4.31Å; L4-L1555 HydrophobicContact CD1-CD1 4.2Å; L4-L1555 HydrophobicContact CD2-CD1 4.46Å; L4-L1555 HydrophobicContact CG-CD1 4.24Å; I5-L1555 CarbonylContact C-O 3.49Å; I5-L1555 WeakPolarHBondContact CA-O 3.42Å; I5-L1555 HydrophobicContact CB-CB 4.27Å; I5-L1555 HydrophobicContact CD1-CD2 3.84Å; I5-L1555 HydrophobicContact CG1-CB 3.88Å; I5-L1555 HydrophobicContact CG1-CD2 3.73Å; I5-L1555 HydrophobicContact CG1-CG 4.45Å; I5-L1555 VanDerWaalsContact O-O 3.09Å; I8-L1555 WeakPolarHBondContact CB-O 3.28Å; I8-L1555 HydrophobicContact CD1-CB 4.47Å; I8-L1555 VanDerWaalsContact CG2-O 3.27Å; I8-L1555 WeakPolarHBondContact CG2-O 3.49Å | ||
| 1556 | K | 23.6 | Very low | 26.7 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | trans | -132.9 | 115.9 | 170.2 | -169.5 | -171.3 | -173 | -179.3 | 0 | 106.3 | I8 L12 | I8-K1556 HydrophobicContact CG2-CB 4.11Å; L12-K1556 HydrophobicContact CD1-CD 3.7Å; L12-K1556 HydrophobicContact CD1-CG 4.38Å | ||
| 1557 | P | 27.7 | Very low | 26.6 | Very low | 40 Ų | 40 | 109.5 Ų | 109.5 | 26% | 0.26 | 53% | 0.533 | S | S | . | . | trans | -103.3 | 153.8 | -169.8 | 41.5 | -37 | 0 | 0 | 0 | 112.7 | I5 | I5-P1557 HydrophobicContact CB-CG 4.37Å; I5-P1557 HydrophobicContact CD1-CB 3.86Å; I5-P1557 HydrophobicContact CD1-CG 4.38Å; I5-P1557 HydrophobicContact CG1-CB 3.89Å; I5-P1557 HydrophobicContact CG1-CG 3.98Å; I5-P1557 HydrophobicContact CG2-CB 4.27Å; I5-P1557 HydrophobicContact CG2-CG 3.6Å; I5-P1557 WeakPolarHBondContact O-CD 3.46Å | ||
| 1558 | Y | 26 | Very low | 26.8 | Very low | 185 Ų | 185 | 109.6 Ų | 109.6 | 73% | 0.725 | 53% | 0.531 | S | S | * | . | trans | 61.8 | 140.4 | 157.5 | -61.4 | -55.5 | 0 | 0 | 0 | 118.3 | ||||
| 1559 | N | 29.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 110.2 Ų | 110.2 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | cis | -135.7 | 159.7 | 5.5 | -133.3 | -33.4 | 0 | 0 | 0 | 114.2 | ||||
| 1560 | N | 26.5 | Very low | 27.1 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | trans | -80 | 180 | -169.7 | -64.4 | -40 | 0 | 0 | 0 | 113.5 | ||||
| 1561 | I | 28.1 | Very low | 27.3 | Very low | 151 Ų | 151 | 113.7 Ų | 113.7 | 77% | 0.774 | 55% | 0.547 | S | S | * | . | trans | 128.5 | 128.6 | 145.1 | -66.8 | 156.1 | 0 | 0 | 0 | 112.1 | ||||
| 1562 | Q | 25.2 | Very low | 27.4 | Very low | 147 Ų | 147 | 115.9 Ų | 115.9 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | cis | -168.3 | 138.3 | -17.9 | -103 | -164.8 | -94.2 | 0 | 0 | 108.9 | ||||
| 1563 | Y | 26.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 120.1 Ų | 120.1 | 71% | 0.71 | 57% | 0.573 | S | S | * | * | trans | 49.1 | 162.5 | 148.8 | -64.6 | -100.9 | 0 | 0 | 0 | 119.8 | L1565 | Y1563-L1565 HydrophobicContact CD1-CD1 4.08Å; Y1563-L1565 HydrophobicContact CE1-CD1 4.46Å | ||
| 1564 | E | 26.4 | Very low | 27.4 | Very low | 166 Ų | 166 | 118.1 Ų | 118.1 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | cis | -155 | 132.7 | 13.9 | -130.1 | 145.7 | -142.5 | 0 | 0 | 106.7 | ||||
| 1565 | L | 28.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 115 Ų | 115 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | 69.6 | 143.3 | 75.4 | -61.8 | 166.3 | 0 | 0 | 0 | 114.8 | N1542 Y1563 | N1542-L1565 WeakPolarHBondContact ND2-CD2 3.29Å; Y1563-L1565 HydrophobicContact CD1-CD1 4.08Å; Y1563-L1565 HydrophobicContact CE1-CD1 4.46Å | |||
| 1566 | S | 26.7 | Very low | 27.5 | Very low | 61 Ų | 61 | 120.5 Ų | 120.5 | 43% | 0.427 | 59% | 0.592 | S | S | . | * | -163.4 | -132.7 | 66.4 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | N1541 N1542 | N1541-S1566 WeakPolarHBondContact CB-O 3.2Å; N1541-S1566 PolarHBondContact OD1-O 2.89Å; N1542-S1566 VanDerWaalsContact CB-O 3.26Å; N1542-S1566 WeakPolarHBondContact CB-O 3.1Å; N1542-S1566 VanDerWaalsContact CG-C 3.46Å; N1542-S1566 PolarHBondContact N-O 3.48Å; N1542-S1566 PolarHBondContact ND2-O 3.05Å; N1542-S1566 VanDerWaalsContact ND2-O 3.08Å; N1542-S1566 PolarHBondContact OD1-O 3.04Å | |||
| 1567 | M | 27.2 | Very low | 27.7 | Very low | 56 Ų | 56 | 118.8 Ų | 118.8 | 28% | 0.276 | 59% | 0.586 | S | S | . | * | B | Isolated β-bridge | trans | -108.9 | 147.3 | -140.9 | -72.4 | -85.5 | -62.6 | 0 | 0 | 121.5 | N1540 N1541 N1542 N1543 | N1540-M1567 WeakPolarHBondContact CB-O 3.13Å; N1540-M1567 PolarHBondContact ND2-O 2.99Å; N1540-M1567 PolarHBondContact OD1-O 3.36Å; N1541-M1567 WeakPolarHBondContact CB-O 3.35Å; N1542-M1567 HydrophobicContact CB-SD 4.45Å; N1543-M1567 HydrophobicContact CB-SD 3.52Å; N1543-M1567 VanDerWaalsContact CB-SD 3.52Å; N1543-M1567 PolarHBondContact ND2-SD 2.72Å |
| 1568 | E | 29.4 | Very low | 27.6 | Very low | 88 Ų | 88 | 123 Ų | 123 | 41% | 0.411 | 60% | 0.602 | S | S | . | * | trans | 120.7 | 139.4 | 150.4 | -70.3 | 131.8 | -140.4 | 0 | 0 | 120.2 | N1540 N1541 N1542 | N1540-E1568 CarbonylContact C-O 3.53Å; N1540-E1568 VanDerWaalsContact C-O 3.28Å; N1540-E1568 HydrophobicContact CB-CB 3.98Å; N1540-E1568 PolarHBondContact ND2-OE2 3.42Å; N1541-E1568 VanDerWaalsContact C-N 3.28Å; N1541-E1568 CarbonylContact C-O 3.51Å; N1541-E1568 PolarHBondContact N-O 2.83Å; N1541-E1568 CarbonylContact O-C 3.58Å; N1542-E1568 WeakPolarHBondContact O-CA 3.46Å; N1542-E1568 PolarHBondContact O-N 2.61Å | ||
| 1569 | Q | 29.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | cis | 166.4 | 156.5 | -25.8 | -106.7 | 170.5 | 15.1 | 0 | 0 | 107.4 | ||||
| 1570 | Q | 29.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | cis | -151 | -151.4 | -25.2 | -135.1 | 173.9 | 15.6 | 0 | 0 | 104.5 | ||||
| 1571 | Q | 29.2 | Very low | 27.7 | Very low | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | cis | -159.1 | 173.6 | 4.4 | -135.5 | 161.3 | 63.8 | 0 | 0 | 104.3 | ||||
| 1572 | Q | 29 | Very low | 27.5 | Very low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | cis | -162.5 | 142.2 | 8.6 | -152.7 | 149.2 | 23.5 | 0 | 0 | 105.5 | ||||
| 1573 | Q | 27.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 109.7 Ų | 109.7 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | cis | -167.9 | 131.5 | -13.5 | -130.5 | 170.4 | -13.4 | 0 | 0 | 110.8 | ||||
| 1574 | S | 24.6 | Very low | 27.4 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 67% | 0.671 | 57% | 0.569 | S | S | * | * | trans | 54.3 | 165.4 | 142.4 | 63.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1575 | P | 28.6 | Very low | 27.5 | Very low | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | cis | -127.1 | -173 | -22.1 | 27 | -4.8 | 0 | 0 | 0 | 113 | Y1546 | Y1546-P1575 VanDerWaalsContact O-CB 3.3Å; Y1546-P1575 WeakPolarHBondContact O-CB 2.96Å | ||
| 1576 | Q | 27.8 | Very low | 27.4 | Very low | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | trans | 130.9 | 129.8 | 145.8 | -74.9 | -170.9 | -35 | 0 | 0 | 119.3 | Y1546 L1547 | Y1546-Q1576 PolarHBondContact O-N 3.24Å; Y1546-Q1576 VanDerWaalsContact O-N 3.17Å; L1547-Q1576 WeakPolarHBondContact O-CA 3.19Å | ||
| 1577 | Q | 27.4 | Very low | 27.6 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | trans | 49.7 | 108.5 | 136.4 | -48.4 | -173.8 | -136.3 | 0 | 0 | 118.5 | L1547 H1548 S1549 | L1547-Q1577 WeakPolarHBondContact O-CG 2.89Å; L1547-Q1577 PolarHBondContact O-N 3.11Å; H1548-Q1577 VanDerWaalsContact CB-CD 3.48Å; H1548-Q1577 HydrophobicContact CB-CG 3.61Å; H1548-Q1577 VanDerWaalsContact O-CG 3.29Å; H1548-Q1577 WeakPolarHBondContact O-CG 3.04Å; S1549-Q1577 PolarHBondContact OG-NE2 3.1Å | ||
| 1578 | Q | 26.2 | Very low | 27.9 | Very low | 128 Ų | 128 | 117.2 Ų | 117.2 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | 71.9 | 130.5 | 65.1 | -63.5 | -164.2 | -124.3 | 0 | 0 | 116.2 | H1548 S1549 | H1548-Q1578 WeakPolarHBondContact O-CB 3.22Å; H1548-Q1578 VanDerWaalsContact O-CG 3.22Å; H1548-Q1578 WeakPolarHBondContact O-CG 3.2Å; H1548-Q1578 PolarHBondContact O-OE1 2.73Å; S1549-Q1578 WeakPolarHBondContact O-CB 3.22Å | |||
| 1579 | L | 23.5 | Very low | 28.2 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 49% | 0.492 | 62% | 0.619 | S | S | . | * | trans | 80.2 | 161.8 | 176.4 | -89.6 | 82.7 | 0 | 0 | 0 | 119.4 | F1550 H1551 | F1550-L1579 WeakPolarHBondContact O-CD1 3.27Å; F1550-L1579 WeakPolarHBondContact O-CD2 3.26Å; H1551-L1579 VanDerWaalsContact C-CD2 3.45Å; H1551-L1579 VanDerWaalsContact N-CD2 3.3Å; H1551-L1579 WeakPolarHBondContact O-CD2 3.04Å | ||
| 1580 | P | 34.8 | Very low | 28.7 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | -110.7 | -117.7 | -151.5 | 32.7 | -11.9 | 0 | 0 | 0 | 116.6 | ||||
| 1581 | P | 25.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 69% | 0.688 | 64% | 0.635 | S | S | * | * | trans | -62.5 | 152.2 | -155.9 | 33.7 | -38.7 | 0 | 0 | 0 | 113.2 | ||||
| 1582 | P | 25.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | -142.6 | -113.9 | 55.4 | 32.1 | -4.3 | 0 | 0 | 0 | 116.3 | M1236 | M1236-P1582 HydrophobicContact CE-CB 3.7Å; M1236-P1582 HydrophobicContact CE-CG 3.56Å; M1236-P1582 HydrophobicContact SD-CB 4.35Å; M1236-P1582 HydrophobicContact SD-CG 3.7Å | |||
| 1583 | P | 24.6 | Very low | 27.9 | Very low | 97 Ų | 97 | 122 Ų | 122 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | trans | -109.8 | -164.5 | -149.7 | 23.2 | 3.1 | 0 | 0 | 0 | 114.6 | ||||
| 1584 | S | 24 | Very low | 27.6 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | 78.8 | 120.3 | -166.9 | 78.4 | 0 | 0 | 0 | 0 | 113.4 | Q1586 | S1584-Q1586 VanDerWaalsContact CA-N 3.32Š| ||
| 1585 | Q | 27.6 | Very low | 27.4 | Very low | 190 Ų | 190 | 126.8 Ų | 126.8 | 89% | 0.888 | 66% | 0.66 | S | S | * | * | S | Bend | cis | -79.5 | 77.7 | 3.5 | -67.1 | -177.5 | -16.9 | 0 | 0 | 115.1 | ||
| 1586 | Q | 28 | Very low | 27.2 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | trans | -132.6 | 87.4 | 141.6 | -93.5 | -176.7 | -14.5 | 0 | 0 | 106.3 | S1584 Q1588 Q1589 | S1584-Q1586 VanDerWaalsContact CA-N 3.32Å; Q1586-Q1588 CarbonylContact C-O 2.76Å; Q1586-Q1589 CarbonylContact C-O 3.52Å; Q1586-Q1589 HydrophobicContact CB-CB 4.14Å; Q1586-Q1589 HydrophobicContact CG-CB 4.34Å | ||
| 1587 | Q | 29.9 | Very low | 26.9 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | trans | -171.9 | 99.3 | 160.6 | -107.7 | -178.4 | -3.7 | 0 | 0 | 105.1 | Q1590 | Q1587-Q1590 PolarHBondContact NE2-O 2.99Š| ||
| 1588 | Q | 33 | Very low | 26.7 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -38.9 | 137.3 | 4.8 | -63.8 | -179.3 | -8.4 | 0 | 0 | 115 | Q1586 | Q1586-Q1588 CarbonylContact C-O 2.76Š|
| 1589 | Q | 35.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 84.6 | 61.8 | -156.7 | -54.3 | -168.3 | 23.1 | 0 | 0 | 116.2 | Q1586 | Q1586-Q1589 CarbonylContact C-O 3.52Å; Q1586-Q1589 HydrophobicContact CB-CB 4.14Å; Q1586-Q1589 HydrophobicContact CG-CB 4.34Å |
| 1590 | Q | 40.2 | Very low | 26.5 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | 163.4 | 103.7 | 105.6 | -84.9 | -174.4 | 19.8 | 0 | 0 | 112.2 | Q1587 | Q1587-Q1590 PolarHBondContact NE2-O 2.99Š| |||
| 1591 | Q | 22.2 | Very low | 25.9 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -172.6 | 133.8 | 161.7 | -109.9 | -167.6 | -13.9 | 0 | 0 | 103.7 | ||||
| 1592 | Q | 23.2 | Very low | 25.8 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -131.6 | 169.1 | -4.8 | -72.4 | 160.5 | -23.7 | 0 | 0 | 109.4 | ||
| 1593 | S | 25.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | 73.9 | 137.7 | -179.2 | 78.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1594 | M | 21.7 | Very low | 25.7 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | cis | 51.5 | 91.6 | -6.5 | -70.2 | 171.8 | 53 | 0 | 0 | 115.6 | ||||
| 1595 | E | 20.5 | Very low | 25.7 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | cis | -109.5 | 157.9 | 47.9 | -80.7 | -161 | 124 | 0 | 0 | 117.5 | Y1597 | E1595-Y1597 WeakPolarHBondContact OE2-CD2 3.29Å; E1595-Y1597 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 1596 | P | 24.1 | Very low | 25.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -87.7 | 110 | 150.3 | 34.8 | -25.5 | 0 | 0 | 0 | 111.3 | ||||
| 1597 | Y | 22 | Very low | 25.4 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | trans | -112.6 | 107 | 147.4 | -94 | -91.7 | 0 | 0 | 0 | 108.3 | E1595 | E1595-Y1597 WeakPolarHBondContact OE2-CD2 3.29Å; E1595-Y1597 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 1598 | L | 22.8 | Very low | 25.2 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | 62.5 | 117.7 | 54.4 | -161.8 | 84.3 | 0 | 0 | 0 | 111.2 | |||||
| 1599 | N | 22.6 | Very low | 24.9 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | 57.5 | 104 | 163.8 | -63.9 | -22.5 | 0 | 0 | 0 | 119.1 | K1601 | N1599-K1601 PolarHBondContact O-N 3.02Š| ||
| 1600 | W | 21.9 | Very low | 24.3 | Very low | 225 Ų | 225 | 141 Ų | 141 | 85% | 0.852 | 70% | 0.701 | S | S | * | * | 42.6 | 57.3 | 89 | -156.6 | 79.3 | 0 | 0 | 0 | 116.2 | |||||
| 1601 | K | 22.4 | Very low | 23.7 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -156.5 | 116.6 | 153.6 | -100.1 | 137.1 | -173 | 179.8 | 0 | 108.6 | N1599 | N1599-K1601 PolarHBondContact O-N 3.02Š| ||
| 1602 | I | 24.9 | Very low | 23.8 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 64% | 0.641 | 71% | 0.706 | S | S | * | * | 101.6 | 125.6 | 53 | -82.1 | 171.5 | 0 | 0 | 0 | 110.3 | |||||
| 1603 | N | 24.1 | Very low | 23.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | 73 | 120.1 | 164.8 | -67.7 | -15.5 | 0 | 0 | 0 | 121 | ||||
| 1604 | N | 24.1 | Very low | 23.9 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | 73.7 | 151.3 | 129.9 | -64.3 | -22 | 0 | 0 | 0 | 119.6 | |||||
| 1605 | Q | 23.4 | Very low | 24 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 38% | 0.383 | 70% | 0.699 | S | S | . | * | cis | -145.7 | -177.1 | -2 | -131.4 | 146.6 | 19.3 | 0 | 0 | 115.8 | V711 | V711-Q1605 HydrophobicContact CG1-CB 3.7Å; V711-Q1605 HydrophobicContact CG1-CG 4.18Å; V711-Q1605 VanDerWaalsContact CG1-OE1 3.3Å; V711-Q1605 PolarHBondContact O-OE1 2.98Å | ||
| 1606 | F | 25.3 | Very low | 24.3 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 51% | 0.509 | 70% | 0.699 | S | S | . | * | trans | -96.3 | 134.3 | -148.5 | 45.6 | 114 | 0 | 0 | 0 | 118.9 | Q712 | Q712-F1606 HydrophobicContact CB-CD2 4.17Å; Q712-F1606 HydrophobicContact CB-CE1 3.94Å; Q712-F1606 HydrophobicContact CB-CE2 3.14Å; Q712-F1606 HydrophobicContact CB-CZ 2.98Å; Q712-F1606 HydrophobicContact CG-CE2 3.24Å; Q712-F1606 HydrophobicContact CG-CZ 3.45Å; Q712-F1606 VanDerWaalsContact CG-CZ 3.45Å; Q712-F1606 WeakPolarHBondContact O-CD1 2.87Å; Q712-F1606 WeakPolarHBondContact O-CD2 3.48Å; Q712-F1606 WeakPolarHBondContact O-CE1 3.49Å; Q712-F1606 WeakPolarHBondContact O-CG 2.96Å; Q712-F1606 WeakPolarHBondContact O-CZ 3.41Å | ||
| 1607 | S | 24 | Very low | 24.4 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | 102.2 | 154.5 | 163.4 | 81.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1608 | S | 25.6 | Very low | 24.5 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | cis | -156.4 | 148.2 | 15.7 | 68.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1609 | N | 25.6 | Very low | 24.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | trans | 65.4 | 126.2 | 140.4 | -62.5 | -7.1 | 0 | 0 | 0 | 125.4 | ||||
| 1610 | Y | 24.4 | Very low | 24.6 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | trans | 66.9 | 100.1 | 144.8 | -94 | -85.6 | 0 | 0 | 0 | 122 | ||||
| 1611 | I | 26.5 | Very low | 24.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | -174.8 | 152.3 | 106.9 | -91.3 | 162.8 | 0 | 0 | 0 | 108 | |||||
| 1612 | D | 25.9 | Very low | 24.7 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | trans | -99.8 | 159.9 | -153.9 | -60.1 | -73.6 | 0 | 0 | 0 | 118 | ||||
| 1613 | D | 25.7 | Very low | 24.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | 55.3 | 83.6 | 151.8 | -72.1 | -7.1 | 0 | 0 | 0 | 122.3 | ||||
| 1614 | I | 25.3 | Very low | 24.6 | Very low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | 52.7 | 97.1 | 116.1 | -56 | 160.4 | 0 | 0 | 0 | 116.8 | |||||
| 1615 | T | 23.9 | Very low | 24.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -89.3 | 171.1 | 146.5 | 52 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1616 | D | 26.4 | Very low | 25 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | 64.5 | 101 | 161.8 | -72.1 | 30.3 | 0 | 0 | 0 | 118.1 | ||||
| 1617 | H | 25.9 | Very low | 25 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 83% | 0.833 | 67% | 0.671 | S | S | * | * | 86.6 | 95.2 | 75.5 | -81.4 | -45.4 | 0 | 0 | 0 | 113 | |||||
| 1618 | S | 24.1 | Very low | 25 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | -141.7 | 142.3 | 162.9 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1619 | T | 24.3 | Very low | 24.9 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | trans | 61.2 | 117.2 | 177.7 | 51.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1620 | M | 23.1 | Very low | 24.8 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | 67.5 | 140.9 | 63.1 | -60.8 | 166 | 65 | 0 | 0 | 112.2 | |||||
| 1621 | M | 23.2 | Very low | 24.8 | Very low | 135 Ų | 135 | 116.7 Ų | 116.7 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | cis | -161.2 | -179.8 | 19.4 | -146.7 | -164.8 | -148.9 | 0 | 0 | 110.8 | ||||
| 1622 | M | 23.1 | Very low | 24.6 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 52% | 0.522 | 62% | 0.617 | S | S | . | * | trans | 72.6 | 133.1 | 156.6 | -72.6 | -176.3 | -145.9 | 0 | 0 | 117.5 | P48 | P48-M1622 HydrophobicContact CG-CE 4.14Š| ||
| 1623 | M | 23.7 | Very low | 24.5 | Very low | 90 Ų | 90 | 114.1 Ų | 114.1 | 44% | 0.443 | 62% | 0.62 | S | S | . | * | cis | -142.3 | 163.6 | -4.2 | -53.3 | -173.3 | -165 | 0 | 0 | 111.4 | P34 L45 | P34-M1623 HydrophobicContact CG-CE 3.9Å; L45-M1623 HydrophobicContact CD1-SD 4.04Å | ||
| 1624 | M | 23.5 | Very low | 24.4 | Very low | 147 Ų | 147 | 114 Ų | 114 | 72% | 0.724 | 62% | 0.624 | S | S | * | * | trans | -75.8 | 174.6 | 160.2 | -59.2 | 162.9 | 173.2 | 0 | 0 | 109.6 | ||||
| 1625 | T | 24.1 | Very low | 24.3 | Very low | 42 Ų | 42 | 116.8 Ų | 116.8 | 26% | 0.258 | 63% | 0.625 | S | S | . | * | 175.1 | 170.9 | 83 | 28.3 | 0 | 0 | 0 | 0 | 116.2 | P44 F46 | P44-T1625 PolarHBondContact O-OG1 3.31Å; P44-T1625 VanDerWaalsContact O-OG1 3.1Å; F46-T1625 HydrophobicContact CB-CG2 3.58Å; F46-T1625 HydrophobicContact CD1-CG2 3.5Å; F46-T1625 HydrophobicContact CD2-CG2 3.32Å; F46-T1625 WeakPolarHBondContact CD2-OG1 3.21Å; F46-T1625 HydrophobicContact CE1-CG2 3.73Å; F46-T1625 VanDerWaalsContact CE2-CB 3.45Å; F46-T1625 HydrophobicContact CE2-CG2 3.58Å; F46-T1625 HydrophobicContact CG-CG2 3.24Å; F46-T1625 HydrophobicContact CZ-CG2 3.76Å; F46-T1625 PolarHBondContact N-OG1 3.16Å | |||
| 1626 | P | 32.5 | Very low | 24.4 | Very low | 74 Ų | 74 | 116.4 Ų | 116.4 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | trans | -125.4 | -117 | -144.5 | 44.2 | -29.2 | 0 | 0 | 0 | 117.3 | P44 | P44-P1626 WeakPolarHBondContact CD-O 3.29Å; P44-P1626 WeakPolarHBondContact CG-O 3.3Å | ||
| 1627 | T | 24.4 | Very low | 24.2 | Very low | 58 Ų | 58 | 116.4 Ų | 116.4 | 36% | 0.356 | 62% | 0.618 | S | S | . | * | trans | 61.4 | 105.2 | -180 | 60.3 | 0 | 0 | 0 | 0 | 117 | P44 Y119 | P44-T1627 WeakPolarHBondContact CG-OG1 3.18Å; Y119-T1627 HydrophobicContact CE2-CG2 4.21Å | ||
| 1628 | T | 24.3 | Very low | 24.2 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | 91.2 | 130.3 | 55.3 | 60.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1629 | T | 23.4 | Very low | 24.3 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | trans | 101.8 | 133.6 | 152.4 | 74.6 | 0 | 0 | 0 | 0 | 122 | L82 | L82-T1629 WeakPolarHBondContact O-CG2 3.09Š| ||
| 1630 | T | 23.2 | Very low | 24.2 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | trans | 66.8 | 144.3 | 167.2 | 70.3 | 0 | 0 | 0 | 0 | 116.2 | T86 | T86-T1630 HydrophobicContact CG2-CG2 3.78Š| ||
| 1631 | M | 23.8 | Very low | 24.2 | Very low | 149 Ų | 149 | 116 Ų | 116 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | cis | -125.2 | 134.6 | 11.2 | -83.8 | -173.7 | -178.5 | 0 | 0 | 110.6 | T86 | T86-M1631 HydrophobicContact CG2-CE 3.91Å; T86-M1631 HydrophobicContact CG2-CG 4.46Å | ||
| 1632 | M | 22.1 | Very low | 24.2 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 49% | 0.488 | 61% | 0.611 | S | S | . | * | 62.1 | 136.8 | 90.6 | -65.2 | -174.8 | 167.7 | 0 | 0 | 116.9 | T86 | T86-M1632 HydrophobicContact CG2-CE 3.83Å; T86-M1632 HydrophobicContact CG2-SD 4.17Å; T86-M1632 VanDerWaalsContact OG1-CE 3.3Å; T86-M1632 WeakPolarHBondContact OG1-CE 3.11Å | |||
| 1633 | N | 24 | Very low | 24.2 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | trans | 80.8 | 133.1 | 157.4 | -70.5 | -21.6 | 0 | 0 | 0 | 120.3 | ||||
| 1634 | T | 25.1 | Very low | 24.1 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 81% | 0.81 | 64% | 0.639 | S | S | * | * | trans | 67.5 | 143.5 | 159.2 | 49.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1635 | R | 22.8 | Very low | 24.1 | Very low | 210 Ų | 210 | 120 Ų | 120 | 79% | 0.792 | 64% | 0.635 | S | S | * | * | cis | 175.6 | 124.9 | -24.1 | 162.8 | 165.9 | -168 | 173.1 | 2.9 | 105.5 | ||||
| 1636 | N | 24.4 | Very low | 24.1 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | trans | 40.9 | 115.4 | 144.3 | -62.9 | 64.2 | 0 | 0 | 0 | 117.8 | ||||
| 1637 | D | 24.2 | Very low | 23.6 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | 95.9 | 177.2 | 96.6 | -66.9 | -16.4 | 0 | 0 | 0 | 109 | |||||
| 1638 | D | 25.2 | Very low | 23.6 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | 63.5 | 141.5 | -177.9 | -63.3 | -27.7 | 0 | 0 | 0 | 115.6 | ||||
| 1639 | S | 25.6 | Very low | 23.7 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -167.4 | 161.2 | -16.5 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1640 | I | 23.4 | Very low | 23.8 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | 50.4 | 132.4 | 129.6 | -66.8 | 168.7 | 0 | 0 | 0 | 120.3 | |||||
| 1641 | F | 23.2 | Very low | 23.9 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | trans | 68.2 | 161.3 | 162.5 | -64 | -23.4 | 0 | 0 | 0 | 116.9 | ||||
| 1642 | Q | 22.9 | Very low | 24 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | cis | -153.3 | 169.6 | -20 | -117 | 165 | -13.9 | 0 | 0 | 112 | ||||
| 1643 | F | 21.8 | Very low | 24.2 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -27.3 | 150.6 | 162.7 | -79.9 | -96.1 | 0 | 0 | 0 | 119.6 | ||||
| 1644 | N | 23.2 | Very low | 24.4 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | 80.6 | 157.5 | 135.1 | -76.7 | -7.2 | 0 | 0 | 0 | 122.5 | ||||
| 1645 | S | 22.7 | Very low | 24.3 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -45.5 | 145.2 | 166.9 | 52.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1646 | S | 23.2 | Very low | 24.5 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | 73.7 | 157.2 | 138 | 71.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1647 | C | 23 | Very low | 24.7 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 69% | 0.689 | 71% | 0.707 | S | S | * | * | trans | 75.3 | 85.6 | 157.9 | -66.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1648 | I | 24.8 | Very low | 24.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | 60.4 | 114.7 | 112.9 | -61.4 | 159 | 0 | 0 | 0 | 119.2 | Q1650 | I1648-Q1650 HydrophobicContact CG2-CB 3.77Š| |||
| 1649 | C | 26.1 | Very low | 25.1 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 90% | 0.899 | 70% | 0.699 | S | S | * | * | -147.9 | 116.6 | 129.5 | -81 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 1650 | Q | 25.5 | Very low | 25.3 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | cis | 75.8 | 95.3 | 30.9 | -167.6 | 172.1 | -3.7 | 0 | 0 | 115.3 | I1648 | I1648-Q1650 HydrophobicContact CG2-CB 3.77Š| ||
| 1651 | Y | 24.2 | Very low | 25.4 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 70% | 0.698 | 69% | 0.686 | S | S | * | * | trans | 164.5 | 136.6 | 133.9 | -93.1 | -71.9 | 0 | 0 | 0 | 106.7 | H1653 | Y1651-H1653 AromaticContact CD1-NE2 3.81Å; Y1651-H1653 AromaticContact CE1-NE2 3.48Å; Y1651-H1653 WeakPolarHBondContact CE1-NE2 3.37Å | ||
| 1652 | N | 26.3 | Very low | 25.7 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | S | Bend | cis | -120.3 | 145.8 | 14.9 | -78.5 | -37.9 | 0 | 0 | 0 | 113.7 | ||
| 1653 | H | 26.8 | Very low | 26 | Very low | 129 Ų | 129 | 116.2 Ų | 116.2 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | trans | 28.5 | 130.1 | 134.4 | -60.3 | -68.8 | 0 | 0 | 0 | 120.1 | Y1651 | Y1651-H1653 AromaticContact CD1-NE2 3.81Å; Y1651-H1653 AromaticContact CE1-NE2 3.48Å; Y1651-H1653 WeakPolarHBondContact CE1-NE2 3.37Å | ||
| 1654 | N | 28.2 | Very low | 26.3 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | cis | -152.5 | 120.8 | 14.2 | -102.8 | -6.6 | 0 | 0 | 0 | 109.2 | ||||
| 1655 | T | 23.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 111.3 Ų | 111.3 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | 74.1 | 128 | 77.7 | 64.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1656 | I | 25.6 | Very low | 26.7 | Very low | 166 Ų | 166 | 109.9 Ų | 109.9 | 85% | 0.851 | 61% | 0.612 | S | S | * | * | trans | 69.5 | 128.4 | 139.9 | -65 | 165.6 | 0 | 0 | 0 | 114.9 | ||||
| 1657 | A | 29.3 | Very low | 26.8 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | cis | -153 | 158 | 30.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1658 | T | 28.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 106.5 Ų | 106.5 | 71% | 0.712 | 58% | 0.577 | S | S | * | * | trans | 51.3 | 124.7 | 137.2 | 56.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1659 | T | 29 | Very low | 27 | Very low | 110 Ų | 110 | 104.4 Ų | 104.4 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | trans | 67.5 | 131.4 | 131.3 | 62.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1660 | N | 28.9 | Very low | 27 | Very low | 107 Ų | 107 | 100.9 Ų | 100.9 | 57% | 0.572 | 55% | 0.546 | S | S | * | . | 64.8 | 133.1 | 128.2 | -65 | 13.1 | 0 | 0 | 0 | 119.7 | D1005 | D1005-N1660 PolarHBondContact OD1-ND2 2.98Š| |||
| 1661 | N | 27.1 | Very low | 27.1 | Very low | 81 Ų | 81 | 94.2 Ų | 94.2 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | cis | -160.5 | 143.4 | -11.4 | -143.7 | -33.6 | 0 | 0 | 0 | 109.2 | H774 | H774-N1661 PolarHBondContact NE2-O 2.96Š| ||
| 1662 | T | 28.4 | Very low | 27.8 | Very low | 53 Ų | 53 | 86.8 Ų | 86.8 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | trans | 49.1 | 154.5 | 148.3 | 23.4 | 0 | 0 | 0 | 0 | 122.4 | H774 | H774-T1662 PolarHBondContact CE1-OG1 2.76Å; H774-T1662 PolarHBondContact NE2-O 3.3Å; H774-T1662 PolarHBondContact NE2-OG1 2.87Å | ||
| 1663 | T | 28.7 | Very low | 28.2 | Very low | 50 Ų | 50 | 84.7 Ų | 84.7 | 31% | 0.307 | 48% | 0.481 | S | S | . | . | trans | 52.8 | 110.5 | 145.3 | 60.4 | 0 | 0 | 0 | 0 | 118.5 | H774 | H774-T1663 PolarHBondContact CE1-OG1 3.46Å; H774-T1663 PolarHBondContact NE2-OG1 3.43Å | ||
| 1664 | D | 28.9 | Very low | 28.6 | Very low | 84 Ų | 84 | 83.2 Ų | 83.2 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | 88.5 | 178.4 | 91.5 | -66.2 | -16.8 | 0 | 0 | 0 | 110.5 | |||||
| 1665 | L | 28.4 | Very low | 28.8 | Very low | 135 Ų | 135 | 83.3 Ų | 83.3 | 71% | 0.707 | 48% | 0.484 | S | S | * | . | cis | -98.4 | 142.8 | -16.4 | -101.4 | 93.1 | 0 | 0 | 0 | 108.9 | ||||
| 1666 | L | 26.7 | Very low | 28.9 | Very low | 60 Ų | 60 | 83.2 Ų | 83.2 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | 49.3 | 104.9 | 89.6 | -94.1 | 61 | 0 | 0 | 0 | 110.9 | R960 | R960-L1666 VanDerWaalsContact NH2-CG 3.28Š| |||
| 1667 | N | 24.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 79 Ų | 79 | 40% | 0.401 | 47% | 0.471 | S | S | . | . | 72.3 | -173.3 | 83.8 | -67.9 | 23 | 0 | 0 | 0 | 111.6 | I958 R960 E1028 | I958-N1667 WeakPolarHBondContact CD1-ND2 3.32Å; R960-N1667 PolarHBondContact NH2-ND2 2.86Å; E1028-N1667 WeakPolarHBondContact OE2-CB 3.1Å; E1028-N1667 PolarHBondContact OE2-ND2 2.83Å | |||
| 1668 | Q | 25.7 | Very low | 28.5 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 28% | 0.276 | 48% | 0.48 | S | S | . | . | trans | 68.5 | 176 | 152.9 | -71.8 | -174.6 | 0.3 | 0 | 0 | 113.5 | E1028 L1670 | E1028-Q1668 VanDerWaalsContact CD-CG 3.46Å; E1028-Q1668 HydrophobicContact CG-CG 4.19Å; E1028-Q1668 PolarHBondContact OE1-NE2 2.84Å; E1028-Q1668 WeakPolarHBondContact OE2-CG 3.33Å; Q1668-L1670 HydrophobicContact CG-CD1 4.03Å | ||
| 1669 | S | 25.8 | Very low | 28.2 | Very low | 86 Ų | 86 | 84 Ų | 84 | 60% | 0.601 | 47% | 0.474 | S | S | * | . | cis | -142.1 | 154 | 7.4 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | S1033 | S1033-S1669 CarbonylContact O-C 3.6Š| ||
| 1670 | L | 26.2 | Very low | 27.8 | Very low | 59 Ų | 59 | 85.7 Ų | 85.7 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | cis | 173.9 | 116.8 | -21.1 | 179.3 | 76.8 | 0 | 0 | 0 | 108.1 | S1033 S1034 G1035 Q1668 | S1033-L1670 PolarHBondContact O-N 3.06Å; S1034-L1670 CarbonylContact C-O 3.58Å; S1034-L1670 WeakPolarHBondContact CA-O 3.43Å; S1034-L1670 VanDerWaalsContact N-C 3.3Å; G1035-L1670 VanDerWaalsContact CA-O 3.31Å; G1035-L1670 WeakPolarHBondContact CA-O 3.41Å; G1035-L1670 PolarHBondContact N-O 3.42Å; Q1668-L1670 HydrophobicContact CG-CD1 4.03Å | ||
| 1671 | I | 27.8 | Very low | 27.6 | Very low | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.005 | 48% | 0.48 | C | S | . | . | cis | -142.1 | -9.3 | -7.4 | -173.6 | 146.8 | 0 | 0 | 0 | 122.4 | I923 Q1026 A1027 E1028 S1033 S1034 T1036 | I923-I1671 VanDerWaalsContact O-O 3.06Å; Q1026-I1671 HydrophobicContact CG-CD1 3.4Å; Q1026-I1671 VanDerWaalsContact CG-CD1 3.4Å; A1027-I1671 WeakPolarHBondContact O-CD1 3.41Å; A1027-I1671 WeakPolarHBondContact O-CG1 3.42Å; E1028-I1671 HydrophobicContact CG-CD1 3.93Å; S1033-I1671 VanDerWaalsContact CB-O 3.25Å; S1033-I1671 WeakPolarHBondContact CB-O 3.27Å; S1033-I1671 WeakPolarHBondContact OG-CA 3.45Å; S1033-I1671 VanDerWaalsContact OG-CB 3.22Å; S1033-I1671 WeakPolarHBondContact OG-CB 2.85Å; S1033-I1671 WeakPolarHBondContact OG-CG1 3.37Å; S1034-I1671 VanDerWaalsContact CA-N 3.26Å; T1036-I1671 VanDerWaalsContact N-CA 3.31Å; T1036-I1671 WeakPolarHBondContact O-CG2 3.26Å; T1036-I1671 WeakPolarHBondContact OG1-CA 3.37Å; T1036-I1671 WeakPolarHBondContact OG1-CB 3.29Å; T1036-I1671 WeakPolarHBondContact OG1-CG1 3.24Å; T1036-I1671 PolarHBondContact OG1-O 2.89Å | ||
| 1672 | T | 39.1 | Very low | 27.7 | Very low | 21 Ų | 21 | 89.1 Ų | 89.1 | 13% | 0.129 | 50% | 0.497 | C | S | . | . | trans | -154.7 | -174.8 | 169.3 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | M924 S1034 G1035 T1036 | M924-T1672 VanDerWaalsContact C-CG2 3.47Å; M924-T1672 WeakPolarHBondContact O-CG2 3.47Å; S1034-T1672 CarbonylContact C-O 3.49Å; S1034-T1672 WeakPolarHBondContact CA-O 3.25Å; S1034-T1672 WeakPolarHBondContact CB-O 3.39Å; S1034-T1672 VanDerWaalsContact N-N 3.17Å; S1034-T1672 PolarHBondContact OG-O 3.31Å; G1035-T1672 PolarHBondContact N-O 3.26Å; G1035-T1672 PolarHBondContact O-OG1 2.63Å; T1036-T1672 VanDerWaalsContact CA-OG1 3.3Å; T1036-T1672 WeakPolarHBondContact CA-OG1 3.32Å; T1036-T1672 HydrophobicContact CG2-CG2 3.5Å; T1036-T1672 PolarHBondContact N-OG1 3.01Å; T1036-T1672 WeakPolarHBondContact OG1-CG2 3.41Å; T1036-T1672 PolarHBondContact OG1-N 2.84Å | ||
| 1673 | T | 35 | Very low | 27.5 | Very low | 91 Ų | 91 | 91.3 Ų | 91.3 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | -143.5 | 152.5 | 120.9 | 39.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1674 | C | 33.5 | Very low | 27.4 | Very low | 98 Ų | 98 | 95.5 Ų | 95.5 | 66% | 0.662 | 53% | 0.532 | S | S | * | . | trans | 67.3 | 135.5 | 169.5 | -72.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1675 | D | 32.6 | Very low | 27.2 | Very low | 129 Ų | 129 | 96.5 Ų | 96.5 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | cis | -131.6 | 179.3 | -3.5 | -88.5 | -49 | 0 | 0 | 0 | 108.2 | ||||
| 1676 | S | 26.3 | Very low | 26.9 | Very low | 93 Ų | 93 | 98.8 Ų | 98.8 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | cis | 59.8 | 154.8 | 38.1 | 137.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1677 | P | 25.1 | Very low | 26.8 | Very low | 78 Ų | 78 | 101.8 Ų | 101.8 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | cis | -136.1 | -170.8 | -32.1 | 38.7 | -22.8 | 0 | 0 | 0 | 111.7 | ||||
| 1678 | F | 21.3 | Very low | 26.7 | Very low | 181 Ų | 181 | 105 Ų | 105 | 79% | 0.794 | 57% | 0.572 | S | S | * | * | trans | 65.4 | 177.9 | 144.2 | -66.6 | -16 | 0 | 0 | 0 | 117.6 | ||||
| 1679 | I | 21.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 105.8 Ų | 105.8 | 59% | 0.585 | 58% | 0.578 | S | S | * | * | cis | -148.5 | 121.2 | -36.5 | -103.5 | 162 | 0 | 0 | 0 | 102.4 | N1681 | I1679-N1681 WeakPolarHBondContact CG2-O 3.45Š| ||
| 1680 | N | 22.1 | Very low | 26.9 | Very low | 144 Ų | 144 | 106.2 Ų | 106.2 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | cis | 56.8 | 115.4 | 18.5 | -159.7 | 14 | 0 | 0 | 0 | 113 | ||||
| 1681 | N | 23.8 | Very low | 26.7 | Very low | 113 Ų | 113 | 108 Ų | 108 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | trans | 74.9 | 137.4 | -152.1 | -42.8 | -49.1 | 0 | 0 | 0 | 112.2 | I1679 | I1679-N1681 WeakPolarHBondContact CG2-O 3.45Š| ||
| 1682 | N | 29.1 | Very low | 26.4 | Very low | 147 Ų | 147 | 110.2 Ų | 110.2 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | cis | -108.6 | 141.2 | 3.2 | -69 | -62.5 | 0 | 0 | 0 | 110.1 | ||||
| 1683 | C | 25 | Very low | 25.5 | Very low | 99 Ų | 99 | 116.4 Ų | 116.4 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | cis | 71.6 | 147.5 | 48.8 | -157.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1684 | I | 26.7 | Very low | 24.9 | Very low | 138 Ų | 138 | 116.1 Ų | 116.1 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | trans | 69.2 | 85.1 | 171.9 | -66.4 | 158 | 0 | 0 | 0 | 113.3 | ||||
| 1685 | T | 23.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | 68.8 | 137.7 | 83.5 | 63.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1686 | F | 22.9 | Very low | 23.8 | Very low | 183 Ų | 183 | 111.4 Ų | 111.4 | 80% | 0.803 | 61% | 0.605 | S | S | * | * | trans | 64.9 | 135.4 | 141.3 | -77.5 | -138.4 | 0 | 0 | 0 | 116 | ||||
| 1687 | L | 24.8 | Very low | 23.7 | Very low | 122 Ų | 122 | 113 Ų | 113 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | cis | -168.2 | 170.6 | 17.1 | -105 | 162.5 | 0 | 0 | 0 | 108.6 | ||||
| 1688 | K | 21.8 | Very low | 23.8 | Very low | 144 Ų | 144 | 113.3 Ų | 113.3 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | trans | 40 | 118.9 | 143.1 | -72.5 | 169.6 | -176.2 | 172.4 | 0 | 118.9 | ||||
| 1689 | L | 31.3 | Very low | 24 | Very low | 74 Ų | 74 | 112.5 Ų | 112.5 | 39% | 0.387 | 60% | 0.6 | S | S | . | * | 58.9 | 131.6 | 85.1 | -72.7 | 155.1 | 0 | 0 | 0 | 113.4 | Y625 I710 | Y625-L1689 HydrophobicContact CD1-CD2 3.11Å; Y625-L1689 HydrophobicContact CE1-CD2 3.74Å; Y625-L1689 HydrophobicContact CG-CD2 3.89Å; I710-L1689 HydrophobicContact CB-CD2 4.3Å; I710-L1689 HydrophobicContact CG1-CD1 4.45Å; I710-L1689 HydrophobicContact CG1-CD2 3.47Å; I710-L1689 VanDerWaalsContact CG1-CD2 3.47Å; I710-L1689 HydrophobicContact CG1-CG 3.98Å; I710-L1689 HydrophobicContact CG2-CD2 3.76Å; I710-L1689 HydrophobicContact CG2-CG 4.1Å | |||
| 1690 | P | 25.7 | Very low | 24.1 | Very low | 95 Ų | 95 | 110.9 Ų | 110.9 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | cis | -155.6 | -163.4 | 45.4 | 45.3 | -23.7 | 0 | 0 | 0 | 116.8 | ||||
| 1691 | Q | 20.8 | Very low | 24.4 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 46% | 0.458 | 57% | 0.573 | S | S | . | * | trans | 23.2 | 111 | 145.1 | -65.6 | 178.7 | 44.3 | 0 | 0 | 118.3 | Y625 | Y625-Q1691 HydrophobicContact CD2-CB 4.3Å; Y625-Q1691 HydrophobicContact CD2-CG 3.18Å; Y625-Q1691 HydrophobicContact CE2-CB 3.91Å; Y625-Q1691 HydrophobicContact CE2-CG 3.21Å; Y625-Q1691 HydrophobicContact CG-CG 4.28Å; Y625-Q1691 PolarHBondContact OH-N 3.3Å | ||
| 1692 | S | 21.8 | Very low | 24.3 | Very low | 47 Ų | 47 | 107.7 Ų | 107.7 | 33% | 0.329 | 57% | 0.57 | S | S | . | * | 70 | 142.7 | 66.4 | 83.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1693 | Q | 20.7 | Very low | 24 | Very low | 150 Ų | 150 | 108.9 Ų | 108.9 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | trans | 71.4 | 152.1 | 180 | -72.7 | -176.6 | -7 | 0 | 0 | 115.4 | ||||
| 1694 | T | 21.7 | Very low | 24.5 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | cis | -167.4 | 169.3 | -42.3 | 13.1 | 0 | 0 | 0 | 0 | 107.4 | L1932 | T1694-L1932 VanDerWaalsContact C-CD1 3.47Å; T1694-L1932 WeakPolarHBondContact O-CD1 3.05Å | ||
| 1695 | S | 21.9 | Very low | 24.8 | Very low | 79 Ų | 79 | 107.7 Ų | 107.7 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | trans | 61.6 | 104.1 | 150.1 | 57.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1696 | S | 22.6 | Very low | 24.9 | Very low | 50 Ų | 50 | 108.3 Ų | 108.3 | 35% | 0.35 | 57% | 0.57 | S | S | . | * | 58.1 | 131 | 124.9 | 66.3 | 0 | 0 | 0 | 0 | 123.5 | L1932 | S1696-L1932 CarbonylContact C-O 3.46Å; S1696-L1932 VanDerWaalsContact C-O 3.32Å; S1696-L1932 WeakPolarHBondContact CA-O 3.25Å | |||
| 1697 | F | 24.1 | Very low | 24.8 | Very low | 125 Ų | 125 | 108 Ų | 108 | 55% | 0.548 | 57% | 0.574 | S | S | . | * | trans | 71.9 | 140.2 | 131.3 | -88.1 | -121.4 | 0 | 0 | 0 | 117.1 | L1932 I1934 | F1697-L1932 PolarHBondContact N-O 3.5Å; F1697-I1934 HydrophobicContact CD2-CD1 3.77Å; F1697-I1934 HydrophobicContact CD2-CG1 3.98Å; F1697-I1934 HydrophobicContact CE2-CB 3.93Å; F1697-I1934 HydrophobicContact CE2-CD1 3.51Å; F1697-I1934 HydrophobicContact CE2-CG1 3.76Å; F1697-I1934 HydrophobicContact CZ-CD1 4.11Å | ||
| 1698 | T | 26.1 | Very low | 24.7 | Very low | 86 Ų | 86 | 107.5 Ų | 107.5 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | cis | -168.1 | -177.9 | -9.4 | 11 | 0 | 0 | 0 | 0 | 111 | ||||
| 1699 | E | 24.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 105.5 Ų | 105.5 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | trans | 78.9 | 172.9 | 135.4 | -85.6 | 148.8 | 161.5 | 0 | 0 | 120.3 | ||||
| 1700 | D | 25.4 | Very low | 24.4 | Very low | 79 Ų | 79 | 108.2 Ų | 108.2 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | trans | 60.7 | 93 | 170.6 | -83.2 | -2.8 | 0 | 0 | 0 | 119.8 | ||||
| 1701 | N | 27.1 | Very low | 24.3 | Very low | 68 Ų | 68 | 108.2 Ų | 108.2 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | 54.7 | 141.6 | 99.4 | -65.8 | -42.7 | 0 | 0 | 0 | 119.5 | N1793 | N1701-N1793 PolarHBondContact OD1-OD1 3.38Š| |||
| 1702 | F | 21.8 | Very low | 24.5 | Very low | 123 Ų | 123 | 108.5 Ų | 108.5 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | trans | 75 | 105.5 | 173.6 | -54.2 | -77.6 | 0 | 0 | 0 | 115.6 | Y1794 L1795 | F1702-Y1794 HydrophobicContact CZ-CD1 4.02Å; F1702-Y1794 HydrophobicContact CZ-CE1 4.05Å; F1702-L1795 HydrophobicContact CE2-CD2 3.9Å; F1702-L1795 HydrophobicContact CE2-CG 4.48Å; F1702-L1795 HydrophobicContact CZ-CD2 4.47Å | ||
| 1703 | F | 23.8 | Very low | 24.7 | Very low | 172 Ų | 172 | 115.2 Ų | 115.2 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | 79 | 102.9 | 64.7 | -84.7 | -77.8 | 0 | 0 | 0 | 114 | |||||
| 1704 | S | 34.4 | Very low | 25 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | trans | 55.8 | -153.6 | 156.6 | 68 | 0 | 0 | 0 | 0 | 114 | ||||
| 1705 | P | 33.3 | Very low | 25.3 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | cis | -127.7 | 143.6 | 23.5 | 40.5 | -23.2 | 0 | 0 | 0 | 116.9 | ||||
| 1706 | L | 25.1 | Very low | 25.6 | Very low | 119 Ų | 119 | 115 Ų | 115 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | trans | 65.5 | 147.3 | 156.2 | -49.4 | 155.6 | 0 | 0 | 0 | 115.6 | I1709 | L1706-I1709 HydrophobicContact CD2-CD1 4.38Å; L1706-I1709 HydrophobicContact CD2-CG1 4.08Å | ||
| 1707 | I | 22.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 118.9 Ų | 118.9 | 90% | 0.903 | 63% | 0.626 | S | S | * | * | S | Bend | cis | -65.9 | 139.6 | 4.8 | -69 | 171.6 | 0 | 0 | 0 | 112.8 | ||
| 1708 | N | 23 | Very low | 26.1 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 60% | 0.599 | 63% | 0.626 | S | S | * | * | cis | -156.6 | 168 | -23.6 | -160.1 | 17.6 | 0 | 0 | 0 | 109.4 | D1710 | N1708-D1710 PolarHBondContact O-N 3.49Š| ||
| 1709 | I | 20.9 | Very low | 26.2 | Very low | 101 Ų | 101 | 118 Ų | 118 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | trans | -58.9 | 117.9 | 145.3 | -64.4 | 160.2 | 0 | 0 | 0 | 105.6 | L1706 T1711 | L1706-I1709 HydrophobicContact CD2-CD1 4.38Å; L1706-I1709 HydrophobicContact CD2-CG1 4.08Å; I1709-T1711 HydrophobicContact CG2-CG2 4.16Å; I1709-T1711 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 1710 | D | 25.1 | Very low | 26.3 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | -131.6 | 130.9 | 80.4 | -87.5 | -53 | 0 | 0 | 0 | 111.6 | N1708 | N1708-D1710 PolarHBondContact O-N 3.49Š| |||
| 1711 | T | 24 | Very low | 26.6 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | 41.3 | 90.9 | 53.5 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | I1709 | I1709-T1711 HydrophobicContact CG2-CG2 4.16Å; I1709-T1711 WeakPolarHBondContact CG2-OG1 3.46Å | |||
| 1712 | T | 24.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 121 Ų | 121 | 64% | 0.638 | 64% | 0.643 | S | S | * | * | trans | 73.1 | 166.7 | 168.7 | 87 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1713 | Y | 26 | Very low | 26.7 | Very low | 189 Ų | 189 | 120.1 Ų | 120.1 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | cis | -107.1 | 95.9 | -10.1 | -115.5 | -86.2 | 0 | 0 | 0 | 111.3 | T1715 | Y1713-T1715 PolarHBondContact O-OG1 2.94Š| ||
| 1714 | N | 26.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | 67.6 | -166.3 | 119.8 | -160.9 | 7.8 | 0 | 0 | 0 | 115.9 | |||||
| 1715 | T | 28 | Very low | 26.1 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | trans | 64.6 | 80.6 | 149.5 | 35.8 | 0 | 0 | 0 | 0 | 117.6 | Y1713 | Y1713-T1715 PolarHBondContact O-OG1 2.94Š| ||
| 1716 | T | 27.9 | Very low | 25.6 | Very low | 96 Ų | 96 | 118 Ų | 118 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | 72.8 | 156.7 | 111.6 | 59.9 | 0 | 0 | 0 | 0 | 118.8 | N1718 | T1716-N1718 WeakPolarHBondContact CG2-ND2 3.41Š| |||
| 1717 | N | 29.7 | Very low | 25.6 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | cis | -106.7 | 143.6 | -1.3 | -83.9 | -74.6 | 0 | 0 | 0 | 108.9 | ||||
| 1718 | N | 26.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 115 Ų | 115 | 54% | 0.535 | 63% | 0.633 | S | S | . | * | 52.3 | 137.1 | 67.7 | -45.1 | -32 | 0 | 0 | 0 | 110.7 | T1716 | T1716-N1718 WeakPolarHBondContact CG2-ND2 3.41Š| |||
| 1719 | T | 29 | Very low | 25.9 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | cis | -132.5 | 148.8 | 25.2 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | Y1721 | T1719-Y1721 HydrophobicContact CG2-CD2 4.49Å; T1719-Y1721 HydrophobicContact CG2-CE2 3.74Å | ||
| 1720 | T | 26.9 | Very low | 26.3 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | cis | 58.5 | 57.1 | 35.2 | 79 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1721 | Y | 30.8 | Very low | 26.4 | Very low | 189 Ų | 189 | 114.8 Ų | 114.8 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | trans | -127.1 | 97.3 | 138.4 | -63.4 | -68.3 | 0 | 0 | 0 | 106.6 | T1719 | T1719-Y1721 HydrophobicContact CG2-CD2 4.49Å; T1719-Y1721 HydrophobicContact CG2-CE2 3.74Å | ||
| 1722 | T | 26.7 | Very low | 26.7 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | 59.6 | 160.5 | 58.3 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1723 | T | 24.2 | Very low | 26.8 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 64% | 0.638 | 65% | 0.645 | S | S | * | * | trans | 59.2 | 122.7 | 155.2 | 43.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1724 | T | 23.6 | Very low | 26.9 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 74% | 0.742 | 64% | 0.643 | S | S | * | * | trans | 67 | 135.2 | 139 | 60.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1725 | T | 23.2 | Very low | 26.9 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 68% | 0.681 | 64% | 0.638 | S | S | * | * | cis | -166.9 | -165.8 | -3.9 | 22.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1726 | T | 23.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | trans | 35.4 | 122.4 | 132.1 | 59.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1727 | T | 24.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 113.8 Ų | 113.8 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | cis | -176 | 164.8 | 12.6 | 6.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1728 | N | 25 | Very low | 26.3 | Very low | 126 Ų | 126 | 114.7 Ų | 114.7 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | trans | 65 | 126.6 | 137.5 | -69.1 | -3.5 | 0 | 0 | 0 | 120.8 | ||||
| 1729 | T | 27 | Very low | 26.2 | Very low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | 83.7 | 141.6 | 126.1 | 57.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1730 | T | 27.8 | Very low | 25.9 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | cis | -148.2 | 151.7 | 4.7 | -2.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1731 | N | 28.1 | Very low | 25.8 | Very low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | trans | 68.6 | 104 | 138.7 | -71.2 | 0.2 | 0 | 0 | 0 | 120.6 | ||||
| 1732 | N | 29.1 | Very low | 25.5 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | 94.1 | 137.6 | 106 | -70.5 | -4 | 0 | 0 | 0 | 118.3 | |||||
| 1733 | S | 29 | Very low | 25.6 | Very low | 82 Ų | 82 | 116.8 Ų | 116.8 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | cis | -170.8 | 149.7 | -7.6 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1734 | N | 27.4 | Very low | 25.6 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | 69 | 148.4 | 138.3 | -68 | 10.6 | 0 | 0 | 0 | 117.4 | ||||
| 1735 | N | 26.6 | Very low | 25.8 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 58% | 0.578 | 66% | 0.661 | S | S | * | * | cis | -151.2 | 144.2 | -0.8 | -120.8 | -4.9 | 0 | 0 | 0 | 112.7 | ||||
| 1736 | N | 25.9 | Very low | 26 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 53% | 0.529 | 66% | 0.658 | S | S | . | * | trans | 69.4 | 134.3 | 136.8 | -66.2 | -10.9 | 0 | 0 | 0 | 120.8 | ||||
| 1737 | N | 24.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 65% | 0.647 | 66% | 0.656 | S | S | * | * | 36.5 | 152.5 | 97 | -24 | -28 | 0 | 0 | 0 | 117.3 | |||||
| 1738 | Q | 23.2 | Very low | 26.5 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | cis | -160.5 | 130.8 | 33.7 | -147.1 | 131.9 | -17 | 0 | 0 | 112.1 | ||||
| 1739 | S | 23.8 | Very low | 26.5 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | 59.3 | 152.8 | 128.7 | 76.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1740 | N | 23.6 | Very low | 26.5 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | trans | 72.8 | 98.2 | 136.3 | -69.2 | 3.7 | 0 | 0 | 0 | 120.3 | ||||
| 1741 | Q | 23.4 | Very low | 26.5 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | 88.9 | 155.4 | 106.4 | -78.7 | 172.9 | -31.8 | 0 | 0 | 120.3 | |||||
| 1742 | H | 25.6 | Very low | 26.4 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | 73.9 | 83.7 | 152.5 | -69.4 | -49.7 | 0 | 0 | 0 | 120.5 | ||||
| 1743 | T | 28.2 | Very low | 26.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | 48.1 | 156 | 101.8 | 59.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1744 | Y | 24.9 | Very low | 26.4 | Very low | 195 Ų | 195 | 133 Ų | 133 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | 94.4 | 114.9 | 165.9 | -75.8 | -88 | 0 | 0 | 0 | 117.9 | ||||
| 1745 | I | 27.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 133 Ų | 133 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | 46.7 | 134.4 | 114.6 | -67.2 | -166.6 | 0 | 0 | 0 | 118 | |||||
| 1746 | S | 27.4 | Very low | 26.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | cis | -172.4 | 170.6 | -10.1 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1747 | S | 30.5 | Very low | 26.4 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | trans | 25.9 | 144.9 | 136.1 | 75.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1748 | L | 27 | Very low | 26.6 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | 80.8 | 134 | 141.2 | -72.3 | 158.6 | 0 | 0 | 0 | 121.1 | ||||
| 1749 | L | 26.7 | Very low | 26.9 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 68.9 | 113.4 | 138.4 | -71.3 | 167.9 | 0 | 0 | 0 | 122.3 | ||||
| 1750 | S | 25.3 | Very low | 27.3 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | 77 | 125.7 | 123.5 | 87.7 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1751 | R | 27.8 | Very low | 27.6 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | 95.3 | 130.1 | 89.7 | -92.4 | -175.6 | 173.3 | -164.2 | -0.4 | 112.5 | |||||
| 1752 | Y | 27.1 | Very low | 27.8 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | trans | 65.9 | 145.8 | 157.6 | -66 | -53.7 | 0 | 0 | 0 | 116.6 | ||||
| 1753 | S | 30.8 | Very low | 28 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | cis | -157.1 | 173.5 | -8.3 | -153.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1754 | Y | 26.5 | Very low | 28.1 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | 80.6 | 124.5 | 142.3 | -75.9 | -44.4 | 0 | 0 | 0 | 122.7 | ||||
| 1755 | I | 27.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 68% | 0.677 | 70% | 0.695 | S | S | * | * | 98.5 | 80.9 | 129.1 | -71.1 | 169.6 | 0 | 0 | 0 | 118.6 | |||||
| 1756 | T | 26.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | 81.1 | 131.4 | 120.5 | 62.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1757 | L | 26.3 | Very low | 28 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | 66.8 | 123.4 | 132.9 | -86.2 | 75.7 | 0 | 0 | 0 | 120.9 | ||||
| 1758 | L | 28.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | trans | 56.5 | 118.6 | 135 | -89.9 | 77.2 | 0 | 0 | 0 | 120.4 | ||||
| 1759 | L | 30.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 71% | 0.707 | 70% | 0.703 | S | S | * | * | trans | 72.5 | 173.1 | 142.1 | -57.5 | 169 | 0 | 0 | 0 | 117.2 | ||||
| 1760 | F | 30.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | 39.8 | 103.4 | 147.8 | -72.5 | -56.7 | 0 | 0 | 0 | 116.2 | ||||
| 1761 | Y | 29.9 | Very low | 27.7 | Very low | 203 Ų | 203 | 152.2 Ų | 152.2 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | -146.2 | 116.8 | 54 | -107.6 | -107 | 0 | 0 | 0 | 114.5 | |||||
| 1762 | C | 29.4 | Very low | 27.5 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 46% | 0.459 | 71% | 0.71 | S | S | . | * | 61.6 | 130.6 | 105.3 | -70.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1763 | L | 29.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | trans | 72.3 | 147.3 | 141.2 | -53.5 | 163.3 | 0 | 0 | 0 | 115.1 | ||||
| 1764 | W | 29.3 | Very low | 27.2 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | -149.6 | 142.5 | 12.2 | -130.5 | 13.4 | 0 | 0 | 0 | 106.6 | ||||
| 1765 | F | 25.4 | Very low | 27 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | 44 | 133.6 | 74.9 | -82.4 | -57.9 | 0 | 0 | 0 | 112.1 | |||||
| 1766 | R | 26.6 | Very low | 26.9 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | cis | 179.9 | 168.3 | 10 | -157.6 | 168.5 | -169.8 | 172.1 | 3.4 | 107.2 | ||||
| 1767 | F | 25.9 | Very low | 26.9 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 65.5 | 166.7 | 163.7 | -62.6 | -58.2 | 0 | 0 | 0 | 116 | ||||
| 1768 | K | 24.2 | Very low | 26.8 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | cis | -148 | 169.3 | -5.6 | -134.7 | 161.7 | -173.1 | 177.6 | 0 | 110.6 | ||||
| 1769 | A | 28.7 | Very low | 26.9 | Very low | 87 Ų | 87 | 151.2 Ų | 151.2 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | -102.3 | 164.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1770 | K | 24.7 | Very low | 26.7 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | 132.1 | 136.1 | 146.7 | -88 | -168.4 | 158.6 | -163.8 | 0 | 116.2 | ||||
| 1771 | L | 24.9 | Very low | 26.6 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | 62.6 | 153 | 160.1 | -82.8 | 68.3 | 0 | 0 | 0 | 114.3 | ||||
| 1772 | V | 25.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | cis | -140.3 | 135.4 | 20.7 | 174.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1773 | E | 25.9 | Very low | 26.4 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | 71.4 | 124.7 | 65.1 | -118.1 | -178.8 | 179.9 | 0 | 0 | 116.2 | |||||
| 1774 | F | 24.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 154 Ų | 154 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | trans | 58.8 | 153.5 | 174.8 | -71.1 | -104 | 0 | 0 | 0 | 116.1 | ||||
| 1775 | E | 23.4 | Very low | 26 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | cis | -125.7 | 167.4 | -9.1 | -70.3 | -165.3 | 136.1 | 0 | 0 | 108.4 | ||||
| 1776 | S | 25.3 | Very low | 26 | Very low | 84 Ų | 84 | 152 Ų | 152 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | cis | 111.5 | 133.9 | 17.5 | 119.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1777 | H | 26.9 | Very low | 26.1 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 73.9 | 150.6 | 151.3 | -94.5 | -83.2 | 0 | 0 | 0 | 124.4 | ||||
| 1778 | Y | 24.6 | Very low | 26.1 | Very low | 182 Ų | 182 | 149 Ų | 149 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | trans | 61.4 | 116.9 | 170.3 | -84.5 | -111.8 | 0 | 0 | 0 | 118 | ||||
| 1779 | L | 30 | Very low | 26.3 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 67% | 0.665 | 72% | 0.715 | S | S | * | * | 66.9 | 97.8 | 51.8 | -172.1 | 116 | 0 | 0 | 0 | 113.4 | |||||
| 1780 | K | 25.8 | Very low | 26.1 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | -173.8 | 124 | 118.1 | -103 | 162.9 | -175.1 | 172.6 | 0 | 115.1 | |||||
| 1781 | L | 29.5 | Very low | 26.2 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | 44.2 | 134.2 | 120.3 | -69.1 | -178.7 | 0 | 0 | 0 | 120.3 | |||||
| 1782 | K | 27.4 | Very low | 26.3 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 74% | 0.735 | 70% | 0.7 | S | S | * | * | trans | 78.4 | 152.7 | 134.7 | -74.7 | 178.2 | 177.7 | -178.9 | 0 | 116.5 | ||||
| 1783 | L | 27.3 | Very low | 26.4 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | cis | -150.7 | 165.1 | 4.5 | -122.1 | 158 | 0 | 0 | 0 | 110.3 | ||||
| 1784 | K | 23.6 | Very low | 26.5 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | trans | 79.6 | 137.9 | 144.2 | -90 | 172.8 | -178.7 | -178.4 | 0 | 119.8 | ||||
| 1785 | N | 26.1 | Very low | 26.6 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | 70.8 | 137.9 | 143.8 | -65.6 | 9.5 | 0 | 0 | 0 | 116.5 | ||||
| 1786 | Y | 26.3 | Very low | 26.7 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | cis | 172.1 | -175.4 | -16.4 | -132.4 | -134.5 | 0 | 0 | 0 | 102.5 | ||||
| 1787 | Y | 28.6 | Very low | 26.8 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | trans | -26.2 | 145.4 | 138.8 | -55 | -100.7 | 0 | 0 | 0 | 113.3 | ||||
| 1788 | S | 25 | Very low | 26.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | cis | -145.5 | 161.9 | 38.4 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1789 | F | 28.7 | Very low | 26.8 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 69% | 0.689 | 65% | 0.645 | S | S | * | * | cis | 67.5 | 69.2 | 33.9 | -140.5 | -69.7 | 0 | 0 | 0 | 112.9 | I1791 | F1789-I1791 HydrophobicContact CD1-CD1 3.65Å; F1789-I1791 HydrophobicContact CD1-CG1 3.75Å; F1789-I1791 HydrophobicContact CE1-CD1 3.7Å; F1789-I1791 HydrophobicContact CE1-CG1 3.82Å | ||
| 1790 | H | 24.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | -136.1 | 117.8 | 149.2 | -95.7 | -80.5 | 0 | 0 | 0 | 107.2 | ||||
| 1791 | I | 28.1 | Very low | 26.5 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 46% | 0.456 | 64% | 0.644 | S | S | . | * | 57.2 | 68.3 | 54.6 | -45 | 175.4 | 0 | 0 | 0 | 110.4 | F1789 N1793 | F1789-I1791 HydrophobicContact CD1-CD1 3.65Å; F1789-I1791 HydrophobicContact CD1-CG1 3.75Å; F1789-I1791 HydrophobicContact CE1-CD1 3.7Å; F1789-I1791 HydrophobicContact CE1-CG1 3.82Å; I1791-N1793 HydrophobicContact CG2-CB 3.75Å; I1791-N1793 WeakPolarHBondContact CG2-OD1 3.34Å | |||
| 1792 | G | 25.7 | Very low | 26.3 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | -103.4 | 114.3 | 112.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 1793 | N | 28.2 | Very low | 26.2 | Very low | 50 Ų | 50 | 121.1 Ų | 121.1 | 27% | 0.267 | 65% | 0.645 | S | S | . | * | cis | 39.9 | 108.9 | 43.4 | -80.9 | 27.9 | 0 | 0 | 0 | 109.3 | N1701 I1791 | N1701-N1793 PolarHBondContact OD1-OD1 3.38Å; I1791-N1793 HydrophobicContact CG2-CB 3.75Å; I1791-N1793 WeakPolarHBondContact CG2-OD1 3.34Å | ||
| 1794 | Y | 27.1 | Very low | 26 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | -172.3 | 150.9 | 56.4 | -88.3 | -66.6 | 0 | 0 | 0 | 110.1 | F1702 | F1702-Y1794 HydrophobicContact CZ-CD1 4.02Å; F1702-Y1794 HydrophobicContact CZ-CE1 4.05Å | |||
| 1795 | L | 26.6 | Very low | 26.1 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | trans | 61.9 | 149 | 135.1 | -61.4 | 167.8 | 0 | 0 | 0 | 117.2 | F1702 | F1702-L1795 HydrophobicContact CE2-CD2 3.9Å; F1702-L1795 HydrophobicContact CE2-CG 4.48Å; F1702-L1795 HydrophobicContact CZ-CD2 4.47Å | ||
| 1796 | T | 26.9 | Very low | 26.1 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | cis | -155.1 | 129.7 | 20.1 | -13.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1797 | T | 25.9 | Very low | 26 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | 41.2 | 139.5 | 129.2 | 62 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1798 | T | 25.8 | Very low | 25.8 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | trans | 69.3 | 154.2 | 141.5 | 56.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1799 | T | 25.8 | Very low | 25.7 | Very low | 105 Ų | 105 | 104.5 Ų | 104.5 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | cis | -151 | 130.6 | 7 | -7.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1800 | T | 25 | Very low | 25.5 | Very low | 112 Ų | 112 | 102.9 Ų | 102.9 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | trans | 48.9 | 173 | 134.9 | 64.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1801 | T | 25 | Very low | 25.4 | Very low | 107 Ų | 107 | 100 Ų | 100 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | trans | 55 | 105.3 | 148.3 | 46.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1802 | T | 25 | Very low | 25.2 | Very low | 117 Ų | 117 | 101.5 Ų | 101.5 | 72% | 0.718 | 61% | 0.614 | S | S | * | * | 42.7 | 114.5 | 85.4 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1803 | T | 24.7 | Very low | 25.1 | Very low | 117 Ų | 117 | 103.2 Ų | 103.2 | 72% | 0.718 | 61% | 0.61 | S | S | * | * | -169.2 | 174.2 | 62.7 | 37.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1804 | T | 24 | Very low | 24.9 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | trans | 51.9 | 110.9 | 145.5 | 48.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1805 | T | 26.1 | Very low | 24.8 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | 65.7 | 113.9 | 128.7 | 59 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1806 | T | 26.3 | Very low | 24.6 | Very low | 76 Ų | 76 | 106.4 Ų | 106.4 | 47% | 0.466 | 65% | 0.646 | S | S | . | * | 84.2 | 156.8 | 124.6 | 58.9 | 0 | 0 | 0 | 0 | 123 | T614 | T614-T1806 VanDerWaalsContact CB-OG1 3.24Å; T614-T1806 WeakPolarHBondContact CB-OG1 3.24Å; T614-T1806 PolarHBondContact OG1-OG1 3.48Å | |||
| 1807 | T | 24.3 | Very low | 24.3 | Very low | 63 Ų | 63 | 107 Ų | 107 | 39% | 0.387 | 65% | 0.65 | S | S | . | * | trans | 67.2 | 113.6 | 157.3 | 41.4 | 0 | 0 | 0 | 0 | 120.7 | T615 | T615-T1807 WeakPolarHBondContact O-CG2 3.18Å; T615-T1807 VanDerWaalsContact OG1-CG2 3.31Å; T615-T1807 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 1808 | T | 23.5 | Very low | 24.1 | Very low | 94 Ų | 94 | 108.1 Ų | 108.1 | 58% | 0.577 | 66% | 0.656 | S | S | * | * | 58 | 151.4 | 128.6 | 64 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1809 | T | 23.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 108.1 Ų | 108.1 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | cis | -173.7 | 153.2 | -13.9 | 26.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1810 | T | 23.6 | Very low | 24.1 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | trans | 61.4 | 161 | 152.7 | 53 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1811 | T | 23.2 | Very low | 24.3 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 64% | 0.638 | 66% | 0.66 | S | S | * | * | cis | -168.4 | 154.7 | -14.4 | 24 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1812 | T | 23.9 | Very low | 24.4 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | 63 | 156.9 | 148.7 | 55.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1813 | T | 23.3 | Very low | 24.4 | Very low | 108 Ų | 108 | 109.6 Ų | 109.6 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | cis | -167.9 | 152.7 | -8.8 | 20.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1814 | T | 23.4 | Very low | 24.4 | Very low | 114 Ų | 114 | 110 Ų | 110 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | 65.4 | 165.7 | 145.2 | 57.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1815 | I | 24.6 | Very low | 24.5 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | trans | 75.7 | 138 | 161.1 | -63.7 | 149.3 | 0 | 0 | 0 | 117 | ||||
| 1816 | T | 22.5 | Very low | 24.4 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | cis | -162.7 | 164.4 | -38.7 | 45.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1817 | T | 21.1 | Very low | 24.4 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | 55.4 | 113.3 | 142.2 | 52.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1818 | T | 22.3 | Very low | 24.5 | Very low | 112 Ų | 112 | 116 Ų | 116 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | 59.6 | 123.3 | 125.2 | 66 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1819 | T | 24.6 | Very low | 24.7 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | 55.7 | 150.7 | 130.8 | 66.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1820 | T | 26.2 | Very low | 24.9 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | cis | -173.7 | -179 | 29.9 | -17.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1821 | I | 28.4 | Very low | 25 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 70.1 | 139.2 | 148 | -72.5 | 157.1 | 0 | 0 | 0 | 116.5 | ||||
| 1822 | T | 28 | Very low | 25.2 | Very low | 113 Ų | 113 | 118 Ų | 118 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | cis | -153.8 | -174.7 | -26.6 | 40.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1823 | T | 26 | Very low | 25.3 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | cis | -172.2 | 164.3 | 34.4 | -26.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1824 | T | 24.5 | Very low | 25.3 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 77% | 0.767 | 69% | 0.69 | S | S | * | * | trans | 63.7 | 156.2 | 167.2 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1825 | T | 25 | Very low | 25.3 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | cis | -165.7 | 145.4 | -15.1 | 22.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1826 | T | 25 | Very low | 25.3 | Very low | 107 Ų | 107 | 116 Ų | 116 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | cis | -167 | 145.3 | -14.9 | 10.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1827 | T | 26 | Very low | 25.3 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | 64.6 | 150.3 | 149 | 60.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1828 | I | 26.7 | Very low | 25.3 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | cis | -151.1 | 147.6 | 0.4 | -129.1 | 161.6 | 0 | 0 | 0 | 111.8 | ||||
| 1829 | N | 26.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | trans | 56.7 | 122.2 | 155.7 | -62.3 | -2.6 | 0 | 0 | 0 | 119.9 | ||||
| 1830 | T | 27.6 | Very low | 25.2 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | 64.3 | 152.4 | 59.2 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1831 | I | 26.5 | Very low | 25.2 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | cis | -136.1 | 116.2 | 10.3 | -124 | 133.5 | 0 | 0 | 0 | 105.4 | ||||
| 1832 | T | 26.3 | Very low | 24.9 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 55% | 0.546 | 70% | 0.698 | S | S | . | * | 60.7 | 126.4 | 81.5 | 70 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1833 | T | 26.6 | Very low | 24.6 | Very low | 118 Ų | 118 | 118 Ų | 118 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | trans | 71.8 | -175 | 131.6 | 63.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1834 | T | 24.6 | Very low | 24.4 | Very low | 106 Ų | 106 | 119 Ų | 119 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | cis | -160.4 | 166.4 | 18.6 | -21 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1835 | T | 23.4 | Very low | 24.4 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 64% | 0.644 | 70% | 0.704 | S | S | * | * | trans | 55.7 | 113.8 | 152.9 | 49.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1836 | T | 24 | Very low | 24.4 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | 75.7 | 167.4 | 57.1 | 71.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1837 | I | 22.4 | Very low | 24.3 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | 91.7 | 91.1 | 157.3 | -70.3 | 164 | 0 | 0 | 0 | 118.4 | ||||
| 1838 | T | 21.9 | Very low | 24.2 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | 78.9 | 141.2 | 127 | 63.3 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1839 | T | 22 | Very low | 24.3 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | 98.4 | 139 | 129.9 | 33.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1840 | T | 22.2 | Very low | 24.3 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | 73.8 | 95.2 | 146.1 | 45.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1841 | T | 24.8 | Very low | 24.6 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | 37 | 125.2 | 117.9 | 57.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1842 | T | 22.1 | Very low | 25.1 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | -168.9 | 170.1 | 115.4 | 14.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1843 | T | 23 | Very low | 25.5 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | trans | -93.4 | 152.3 | -173.5 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1844 | T | 22.4 | Very low | 26.1 | Very low | 125 Ų | 125 | 116 Ų | 116 | 77% | 0.767 | 69% | 0.694 | S | S | * | * | 167.4 | 110.2 | 119.6 | 34.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1845 | T | 23.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | 40.2 | 142.4 | 126.5 | 63.3 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1846 | I | 24.3 | Very low | 27.2 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | 121.9 | 103.8 | 142.4 | -72.3 | 148.3 | 0 | 0 | 0 | 119.9 | ||||
| 1847 | T | 24.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | 60.2 | 148.6 | 141.2 | 65.7 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 1848 | T | 23.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | trans | -50.7 | 178.2 | 159 | 54 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1849 | T | 28.3 | Very low | 29 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | cis | -160 | 167.3 | 32.5 | -34.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1850 | T | 27.4 | Very low | 29.7 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | trans | -85.5 | 167.9 | 173.2 | 47.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1851 | I | 33.4 | Very low | 30.6 | Very low | 88 Ų | 88 | 123 Ų | 123 | 45% | 0.451 | 74% | 0.736 | S | S | . | * | trans | -177.1 | 147.6 | 152.7 | -88.4 | 140.2 | 0 | 0 | 0 | 112.3 | E1396 Q1397 | E1396-I1851 HydrophobicContact CB-CD1 3.82Å; E1396-I1851 HydrophobicContact CB-CG1 4.08Å; E1396-I1851 HydrophobicContact CB-CG2 4.36Å; Q1397-I1851 HydrophobicContact CB-CB 4.49Å; Q1397-I1851 HydrophobicContact CB-CG1 3.67Å | ||
| 1852 | T | 37.7 | Very low | 31.3 | Very low | 97 Ų | 97 | 124 Ų | 124 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | trans | -149.4 | -178.1 | 178.6 | 71 | 0 | 0 | 0 | 0 | 112.1 | Q1397 | Q1397-T1852 VanDerWaalsContact CD-N 3.34Å; Q1397-T1852 PolarHBondContact NE2-O 2.97Å; Q1397-T1852 PolarHBondContact NE2-OG1 2.75Å; Q1397-T1852 PolarHBondContact OE1-OG1 3.49Å | ||
| 1853 | T | 33 | Very low | 32.5 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | 171.3 | -176.3 | 147.8 | 34 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1854 | T | 39.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -154.6 | -175.1 | -138.3 | 38.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1855 | T | 36.3 | Very low | 34.1 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -162.6 | 168.2 | 179.6 | -26.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1856 | T | 35.4 | Very low | 34.8 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -148.6 | -169.6 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1857 | I | 36 | Very low | 35.6 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | cis | -166.7 | 172.9 | 4.8 | -159.4 | 166.4 | 0 | 0 | 0 | 111.8 | ||||
| 1858 | T | 35.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 153.4 | 150.5 | 150.6 | -68.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1859 | T | 34.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -156.6 | 167.1 | 174 | 53.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1860 | T | 36.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -171.7 | 151.8 | 173.3 | -71.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1861 | T | 41.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -167.1 | 177.8 | -171.6 | 51.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1862 | T | 38.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -170.1 | 145.9 | 154.3 | 36.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1863 | T | 47.2 | Very low | 37.5 | Very low | 152 Ų | 152 | 133 Ų | 133 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | trans | -165.8 | 160.2 | 173.5 | 30.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1864 | I | 37.4 | Very low | 37.5 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -167.9 | 155.9 | 171.4 | -167.1 | 164.5 | 0 | 0 | 0 | 115.3 | ||||
| 1865 | T | 43.2 | Very low | 37 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -154.4 | 174.2 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1866 | T | 37 | Very low | 36.8 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -153.8 | 170 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1867 | T | 40.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -152.5 | 178.7 | -175.9 | 55.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1868 | I | 36.7 | Very low | 36.3 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -154.5 | -173.7 | -176.9 | -150.5 | 162.7 | 0 | 0 | 0 | 116.5 | ||||
| 1869 | T | 38.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -112.2 | -164.3 | -163.5 | 53.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1870 | T | 36.4 | Very low | 36 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | cis | -171.1 | 177.5 | 24.5 | -19.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1871 | T | 35.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | 70.6 | 157 | 152.7 | 43 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1872 | T | 34.5 | Very low | 35.4 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | cis | -177.4 | 177.1 | -38.2 | 28.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1873 | I | 33 | Very low | 35.2 | Very low | 162 Ų | 162 | 118 Ų | 118 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | 114 | 158 | 157.2 | -59.8 | 170.2 | 0 | 0 | 0 | 119.1 | ||||
| 1874 | T | 33 | Very low | 34.5 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -122.4 | -157.7 | -171.4 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1875 | T | 30.5 | Very low | 34.3 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | cis | -172 | -179.1 | 14.7 | 4.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1876 | T | 31.3 | Very low | 33.8 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | cis | 178.8 | 159.7 | -33.8 | 39 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1877 | T | 30.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | cis | -173.8 | -176.5 | -11.5 | 33.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1878 | T | 30.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 108 Ų | 108 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | 100.8 | 154.6 | 159.7 | 73.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1879 | T | 31.9 | Very low | 32.8 | Very low | 79 Ų | 79 | 105.3 Ų | 105.3 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | trans | -146.4 | -156.7 | -179.6 | 59 | 0 | 0 | 0 | 0 | 114.2 | Q1051 | Q1051-T1879 HydrophobicContact CG-CG2 3.88Å; Q1051-T1879 WeakPolarHBondContact CG-OG1 3.45Å; Q1051-T1879 PolarHBondContact OE1-OG1 2.97Å | ||
| 1880 | I | 33.2 | Very low | 32.5 | Very low | 91 Ų | 91 | 105.5 Ų | 105.5 | 47% | 0.467 | 64% | 0.635 | S | S | . | * | 175.4 | -166.4 | 67.8 | -156.1 | 162 | 0 | 0 | 0 | 113.1 | Q1051 K1082 | Q1051-I1880 HydrophobicContact CB-CD1 3.9Å; Q1051-I1880 HydrophobicContact CB-CG1 4.11Å; Q1051-I1880 WeakPolarHBondContact O-CD1 2.9Å; K1082-I1880 HydrophobicContact CD-CD1 3.71Å; K1082-I1880 HydrophobicContact CD-CG1 3.91Å; K1082-I1880 HydrophobicContact CG-CD1 3.9Å; K1082-I1880 HydrophobicContact CG-CG1 3.65Å | |||
| 1881 | T | 33.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 106.8 Ų | 106.8 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | trans | 96.1 | 158.9 | 171.4 | 71.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1882 | T | 31 | Very low | 32 | Very low | 65 Ų | 65 | 104.5 Ų | 104.5 | 40% | 0.399 | 62% | 0.622 | S | S | . | * | cis | -161.8 | 137.5 | -13.7 | 20.4 | 0 | 0 | 0 | 0 | 116.6 | D1078 M1081 | D1078-T1882 VanDerWaalsContact CG-CA 3.41Å; D1078-T1882 WeakPolarHBondContact OD1-CA 3.46Å; D1078-T1882 WeakPolarHBondContact OD1-CG2 3.22Å; D1078-T1882 VanDerWaalsContact OD2-CG2 3.3Å; D1078-T1882 WeakPolarHBondContact OD2-CG2 3.4Å; M1081-T1882 VanDerWaalsContact CE-O 3.24Å; M1081-T1882 WeakPolarHBondContact CE-O 3.1Å; M1081-T1882 PolarHBondContact SD-N 3.35Å | ||
| 1883 | T | 33.2 | Very low | 31.9 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.442 | 60% | 0.604 | S | S | . | * | trans | 66 | 175 | 160.7 | 73.2 | 0 | 0 | 0 | 0 | 121.4 | D1078 M1081 | D1078-T1883 PolarHBondContact OD1-N 3.48Å; M1081-T1883 WeakPolarHBondContact CE-O 3.26Å | ||
| 1884 | T | 33.5 | Very low | 31.9 | Very low | 104 Ų | 104 | 100.5 Ų | 100.5 | 64% | 0.638 | 60% | 0.599 | S | S | * | * | cis | -150.6 | -114.2 | -24.9 | 29.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1885 | T | 33.6 | Very low | 31.9 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -155.8 | -178.7 | -145.6 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1886 | T | 32.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 102 Ų | 102 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | cis | 179.8 | 170.7 | -20 | 39.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1887 | T | 31.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 104.3 Ų | 104.3 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | cis | -171.9 | 164.9 | -19 | 35.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1888 | T | 31 | Very low | 32.4 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | trans | -151.6 | -172.3 | -171.4 | 58.1 | 0 | 0 | 0 | 0 | 118.6 | R1128 | R1128-T1888 VanDerWaalsContact CZ-O 3.28Å; R1128-T1888 PolarHBondContact NH1-O 3.3Å; R1128-T1888 PolarHBondContact NH1-OG1 3.49Å; R1128-T1888 PolarHBondContact NH2-O 3.02Å | ||
| 1889 | T | 30.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 103.8 Ų | 103.8 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | trans | 72.1 | 153.3 | 155.3 | 52.3 | 0 | 0 | 0 | 0 | 122.7 | R1128 | R1128-T1889 PolarHBondContact NH1-OG1 3.44Š| ||
| 1890 | T | 32 | Very low | 32.7 | Very low | 121 Ų | 121 | 105.5 Ų | 105.5 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | cis | -173.1 | -169.3 | -18.6 | 27.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1891 | I | 31.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 107 Ų | 107 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | trans | 143.5 | 136.9 | 143.2 | -72.4 | 154.1 | 0 | 0 | 0 | 120.4 | ||||
| 1892 | T | 31 | Very low | 32.6 | Very low | 75 Ų | 75 | 108.4 Ų | 108.4 | 46% | 0.46 | 64% | 0.644 | S | S | . | * | trans | 175.6 | 157.9 | 153.7 | 20.4 | 0 | 0 | 0 | 0 | 117.8 | P1139 | P1139-T1892 HydrophobicContact CB-CG2 3.88Š| ||
| 1893 | T | 31.2 | Very low | 32.5 | Very low | 47 Ų | 47 | 112.3 Ų | 112.3 | 29% | 0.288 | 66% | 0.661 | S | S | . | * | trans | -168.8 | 160.3 | -165.3 | 62.3 | 0 | 0 | 0 | 0 | 120.5 | F1134 N1137 | F1134-T1893 HydrophobicContact CB-CG2 3.93Å; F1134-T1893 HydrophobicContact CD1-CG2 3.25Å; F1134-T1893 HydrophobicContact CD2-CG2 3.85Å; F1134-T1893 HydrophobicContact CE1-CG2 3.54Å; F1134-T1893 HydrophobicContact CE2-CG2 4.11Å; F1134-T1893 HydrophobicContact CG-CG2 3.41Å; F1134-T1893 VanDerWaalsContact CG-CG2 3.41Å; F1134-T1893 HydrophobicContact CZ-CG2 3.96Å; N1137-T1893 CarbonylContact O-C 3.14Å | ||
| 1894 | I | 33.6 | Very low | 32.2 | Very low | 140 Ų | 140 | 114.2 Ų | 114.2 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | trans | 124 | 134.8 | 142.9 | -73.4 | 162.6 | 0 | 0 | 0 | 122.4 | ||||
| 1895 | T | 33 | Very low | 31.8 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | trans | 152.5 | 141.1 | 144.1 | -68.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1896 | T | 33.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | trans | -165.9 | 153.6 | 172.3 | 54.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1897 | I | 36.2 | Very low | 31.1 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -169.6 | 137.8 | 166.5 | -108.8 | 154.9 | 0 | 0 | 0 | 120.1 | ||||
| 1898 | T | 34 | Very low | 30.9 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | 45.1 | -178.2 | 157.9 | 70.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 1899 | T | 34.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | cis | -165.2 | 144.9 | 12.6 | -14.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1900 | T | 33.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | 31.3 | 135.5 | 148.5 | 51 | 0 | 0 | 0 | 0 | 131.4 | ||||
| 1901 | T | 32.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 119 Ų | 119 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | 76.1 | 158.6 | 135.6 | 55.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1902 | T | 31.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | cis | -174.3 | 170 | -21.7 | 34.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1903 | I | 29.6 | Very low | 30.1 | Very low | 148 Ų | 148 | 119.8 Ų | 119.8 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | 101.6 | 121.1 | 142.4 | -90.9 | 167.3 | 0 | 0 | 0 | 125.3 | ||||
| 1904 | T | 26.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 123 Ų | 123 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 66.4 | 122.4 | 146.5 | 60.7 | 0 | 0 | 0 | 0 | 130 | ||||
| 1905 | T | 24.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | 79.8 | 121.3 | 123.3 | 60.4 | 0 | 0 | 0 | 0 | 128.2 | |||||
| 1906 | T | 25.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | 63.5 | 150 | 130.4 | 62.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1907 | T | 26.1 | Very low | 29 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | cis | -168.9 | 161 | -2.8 | 18.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1908 | T | 26.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | 69.5 | 158.5 | 148.5 | 51.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1909 | I | 28.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 111.6 Ų | 111.6 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | cis | -155.5 | 157.8 | 15.2 | -137.2 | 162.2 | 0 | 0 | 0 | 115.6 | ||||
| 1910 | T | 27.2 | Very low | 28 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | trans | 66.9 | 131.1 | 156.6 | 51.2 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1911 | T | 27.2 | Very low | 27.8 | Very low | 116 Ų | 116 | 113 Ų | 113 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | trans | 73.2 | 138.6 | 131.5 | 58.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1912 | T | 27.9 | Very low | 27.6 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 69% | 0.693 | 66% | 0.662 | S | S | * | * | cis | -161.3 | 157.9 | -11.9 | 10.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1913 | T | 28.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 112 Ų | 112 | 71% | 0.712 | 66% | 0.658 | S | S | * | * | trans | 66.5 | 124.8 | 146.9 | 49.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1914 | T | 27.6 | Very low | 27 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 71% | 0.712 | 66% | 0.66 | S | S | * | * | trans | 90.5 | 113.8 | 132.9 | 46.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1915 | T | 26.6 | Very low | 27 | Very low | 117 Ų | 117 | 116 Ų | 116 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | trans | 86.7 | 141.5 | 139 | 42.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1916 | T | 27.5 | Very low | 27 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 44% | 0.442 | 67% | 0.665 | S | S | . | * | trans | 58.2 | 75 | 169.3 | 38.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1917 | T | 26.9 | Very low | 26.9 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | 7.2 | 140.3 | 114.6 | 55.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1918 | T | 28.8 | Very low | 27 | Very low | 59 Ų | 59 | 121 Ų | 121 | 36% | 0.362 | 66% | 0.661 | S | S | . | * | cis | -151.7 | 117.5 | -1.5 | 26.6 | 0 | 0 | 0 | 0 | 106.8 | P869 | P869-T1918 VanDerWaalsContact CB-O 3.29Å; P869-T1918 WeakPolarHBondContact CB-O 3.48Å | ||
| 1919 | T | 26.8 | Very low | 26.8 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 57% | 0.571 | 66% | 0.66 | S | S | * | * | 66.9 | 116.4 | 68.5 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1920 | I | 29 | Very low | 27 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | 69.8 | 125.4 | 122.8 | -63.1 | 169.1 | 0 | 0 | 0 | 115 | |||||
| 1921 | N | 30 | Very low | 27 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | cis | -135.5 | 137.2 | 46.5 | -69.2 | -95.8 | 0 | 0 | 0 | 114 | ||||
| 1922 | D | 27 | Very low | 27.3 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | 34.9 | 129.9 | 110.7 | -51.1 | -45 | 0 | 0 | 0 | 119.2 | |||||
| 1923 | V | 25 | Very low | 27.1 | Very low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | 73 | 98.8 | 53.7 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1924 | Y | 24.8 | Very low | 27 | Very low | 205 Ų | 205 | 119.6 Ų | 119.6 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | 84.8 | 117.4 | 149.6 | -79.4 | -140.5 | 0 | 0 | 0 | 120.6 | ||||
| 1925 | L | 24.6 | Very low | 27.1 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 72% | 0.723 | 64% | 0.64 | S | S | * | * | trans | 60.5 | 129.9 | 140.7 | -82.2 | 88.6 | 0 | 0 | 0 | 122 | ||||
| 1926 | Y | 24.6 | Very low | 27 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | 30.4 | 124.1 | 126.7 | -75.9 | -99.5 | 0 | 0 | 0 | 117.5 | |||||
| 1927 | N | 25.3 | Very low | 27.1 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | -170.6 | 150.3 | 69.3 | -110.8 | -27.8 | 0 | 0 | 0 | 115.9 | |||||
| 1928 | I | 26.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 128 Ų | 128 | 65% | 0.646 | 67% | 0.665 | S | S | * | * | trans | 69.7 | 97.4 | 134.5 | -67.2 | 166.6 | 0 | 0 | 0 | 121.1 | ||||
| 1929 | T | 24.4 | Very low | 27 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | 60.1 | 161.9 | 127.4 | 73.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1930 | I | 31.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | cis | -167.9 | 167.9 | -23.3 | -99 | 164.1 | 0 | 0 | 0 | 106.5 | ||||
| 1931 | Q | 27.2 | Very low | 27 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | trans | 86.7 | 140.8 | 173.8 | -58.7 | -140.6 | -15.9 | 0 | 0 | 116.7 | ||||
| 1932 | L | 32.9 | Very low | 26.7 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 37% | 0.366 | 69% | 0.69 | S | S | . | * | cis | -175.9 | 135 | -24.9 | -126.7 | 167.3 | 0 | 0 | 0 | 111.2 | T1694 S1696 F1697 | T1694-L1932 VanDerWaalsContact C-CD1 3.47Å; T1694-L1932 WeakPolarHBondContact O-CD1 3.05Å; S1696-L1932 CarbonylContact C-O 3.46Å; S1696-L1932 VanDerWaalsContact C-O 3.32Å; S1696-L1932 WeakPolarHBondContact CA-O 3.25Å; F1697-L1932 PolarHBondContact N-O 3.5Å | ||
| 1933 | S | 25.4 | Very low | 26.9 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | trans | -174.2 | 128 | 165.5 | 45.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1934 | I | 26.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | trans | 50.1 | 129.7 | 132.9 | -64.8 | -161.4 | 0 | 0 | 0 | 123.6 | F1697 | F1697-I1934 HydrophobicContact CD2-CD1 3.77Å; F1697-I1934 HydrophobicContact CD2-CG1 3.98Å; F1697-I1934 HydrophobicContact CE2-CB 3.93Å; F1697-I1934 HydrophobicContact CE2-CD1 3.51Å; F1697-I1934 HydrophobicContact CE2-CG1 3.76Å; F1697-I1934 HydrophobicContact CZ-CD1 4.11Å | ||
| 1935 | L | 29.1 | Very low | 27.7 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | trans | 28.3 | 135.5 | 153.8 | -79.1 | 88.8 | 0 | 0 | 0 | 120.6 | ||||
| 1936 | K | 25.2 | Very low | 27.7 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 80% | 0.796 | 62% | 0.621 | S | S | * | * | cis | -141.6 | 166.6 | 33.7 | -69.2 | -178 | 176.5 | 179 | 0 | 114.4 | ||||
| 1937 | N | 28.9 | Very low | 28.2 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | trans | 77.7 | 92.4 | 163.9 | -68.7 | 16.1 | 0 | 0 | 0 | 120 | ||||
| 1938 | S | 26.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | 79.1 | 121.8 | 123.1 | -52.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1939 | F | 26.3 | Very low | 28.4 | Very low | 201 Ų | 201 | 117.8 Ų | 117.8 | 88% | 0.882 | 63% | 0.625 | S | S | * | * | trans | 52.7 | 81.2 | 161.5 | -77.4 | -93.9 | 0 | 0 | 0 | 117 | ||||
| 1940 | S | 28.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | 73.3 | 101.9 | 79.5 | -164.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1941 | F | 26.6 | Very low | 28.5 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | cis | 77.1 | 140.3 | 49.1 | -151.4 | -75.2 | 0 | 0 | 0 | 112.8 | ||||
| 1942 | F | 25.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 55% | 0.548 | 61% | 0.606 | S | S | . | * | trans | 70.2 | 67.6 | -175 | -66.5 | -64.3 | 0 | 0 | 0 | 118.9 | ||||
| 1943 | L | 30.1 | Very low | 28.3 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 45% | 0.445 | 62% | 0.622 | S | S | . | * | -171.5 | 83 | 106.3 | -96.4 | 166.1 | 0 | 0 | 0 | 108.6 | K624 H708 | K624-L1943 HydrophobicContact CD-CD2 3.68Å; K624-L1943 HydrophobicContact CG-CD2 4.32Å; K624-L1943 VanDerWaalsContact NZ-CD2 3.32Å; H708-L1943 HydrophobicContact CB-CD2 3.94Å; H708-L1943 WeakPolarHBondContact O-CD2 3.42Å | |||
| 1944 | F | 28.7 | Very low | 28.5 | Very low | 30 Ų | 30 | 119 Ų | 119 | 13% | 0.132 | 62% | 0.624 | C | S | . | * | 65.2 | 73.9 | 77.7 | -159.5 | -78.9 | 0 | 0 | 0 | 109.3 | K624 Y625 H708 L709 | K624-F1944 HydrophobicContact CB-CE1 4.08Å; K624-F1944 HydrophobicContact CB-CZ 3.77Å; K624-F1944 HydrophobicContact CD-CD1 4.12Å; K624-F1944 HydrophobicContact CD-CD2 4.17Å; K624-F1944 HydrophobicContact CD-CE1 3.69Å; K624-F1944 HydrophobicContact CD-CE2 3.72Å; K624-F1944 HydrophobicContact CD-CG 4.32Å; K624-F1944 HydrophobicContact CD-CZ 3.39Å; K624-F1944 HydrophobicContact CG-CD1 4.17Å; K624-F1944 HydrophobicContact CG-CE1 3.45Å; K624-F1944 VanDerWaalsContact CG-CE1 3.45Å; K624-F1944 HydrophobicContact CG-CE2 4.3Å; K624-F1944 HydrophobicContact CG-CZ 3.46Å; K624-F1944 VanDerWaalsContact CG-CZ 3.46Å; Y625-F1944 AromaticContact CD1-CE1 3.72Å; Y625-F1944 HydrophobicContact CD1-CE1 3.72Å; Y625-F1944 HydrophobicContact CD1-CZ 4.25Å; Y625-F1944 AromaticContact CD2-CE1 3.7Å; Y625-F1944 HydrophobicContact CD2-CE1 3.7Å; Y625-F1944 HydrophobicContact CD2-CE2 4.41Å; Y625-F1944 AromaticContact CD2-CZ 3.4Å; Y625-F1944 HydrophobicContact CD2-CZ 3.4Å; Y625-F1944 HydrophobicContact CE1-CD1 4.01Å; Y625-F1944 AromaticContact CE1-CE1 3.45Å; Y625-F1944 HydrophobicContact CE1-CE1 3.45Å; Y625-F1944 VanDerWaalsContact CE1-CE1 3.45Å; Y625-F1944 AromaticContact CE1-CZ 3.9Å; Y625-F1944 HydrophobicContact CE1-CZ 3.9Å; Y625-F1944 HydrophobicContact CE2-CD1 4.42Å; Y625-F1944 AromaticContact CE2-CE1 3.38Å; Y625-F1944 HydrophobicContact CE2-CE1 3.38Å; Y625-F1944 AromaticContact CE2-CE2 3.55Å; Y625-F1944 HydrophobicContact CE2-CE2 3.55Å; Y625-F1944 AromaticContact CE2-CZ 2.89Å; Y625-F1944 HydrophobicContact CE2-CZ 2.89Å; Y625-F1944 AromaticContact CG-CE1 3.92Å; Y625-F1944 HydrophobicContact CG-CE1 3.92Å; Y625-F1944 HydrophobicContact CG-CZ 4.1Å; Y625-F1944 AromaticContact CZ-CD1 3.95Å; Y625-F1944 AromaticContact CZ-CE1 3.28Å; Y625-F1944 AromaticContact CZ-CE2 3.73Å; Y625-F1944 AromaticContact CZ-CZ 3.22Å; H708-F1944 VanDerWaalsContact O-CD1 3.3Å; H708-F1944 WeakPolarHBondContact O-CD1 3.23Å; H708-F1944 WeakPolarHBondContact O-CE1 3.31Å; L709-F1944 CarbonylContact C-O 3.56Å; L709-F1944 PolarHBondContact N-O 3.03Å; L709-F1944 WeakPolarHBondContact O-CD1 3.2Å | |||
| 1945 | L | 37.4 | Very low | 28.7 | Very low | 58 Ų | 58 | 119.8 Ų | 119.8 | 30% | 0.304 | 63% | 0.629 | S | S | . | * | 84.1 | 146.7 | 114.8 | -103.1 | 127.8 | 0 | 0 | 0 | 112 | L709 I710 V711 | L709-L1945 VanDerWaalsContact C-C 3.46Å; L709-L1945 VanDerWaalsContact C-CB 3.42Å; L709-L1945 CarbonylContact C-O 3.49Å; L709-L1945 VanDerWaalsContact O-CB 3.27Å; L709-L1945 WeakPolarHBondContact O-CB 3.2Å; I710-L1945 VanDerWaalsContact C-CA 3.49Å; I710-L1945 VanDerWaalsContact CA-CA 3.47Å; I710-L1945 HydrophobicContact CB-CB 4.49Å; I710-L1945 HydrophobicContact CB-CD2 4.1Å; I710-L1945 HydrophobicContact CG2-CD2 3.57Å; I710-L1945 VanDerWaalsContact N-CA 3.31Å; I710-L1945 PolarHBondContact N-O 3.3Å; V711-L1945 VanDerWaalsContact N-CB 3.29Å; V711-L1945 VanDerWaalsContact N-CG 3.27Å | |||
| 1946 | L | 26.1 | Very low | 28.6 | Very low | 88 Ų | 88 | 117.3 Ų | 117.3 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | trans | 33.9 | 125.9 | 174.4 | -115 | 157.4 | 0 | 0 | 0 | 118.1 | H708 I710 V711 | H708-L1946 PolarHBondContact CE1-O 2.84Å; I710-L1946 VanDerWaalsContact C-CB 3.41Å; I710-L1946 VanDerWaalsContact CA-CB 3.45Å; I710-L1946 HydrophobicContact CB-CB 3.71Å; I710-L1946 HydrophobicContact CB-CD1 3.84Å; I710-L1946 HydrophobicContact CB-CG 4.29Å; I710-L1946 HydrophobicContact CD1-CB 3.55Å; I710-L1946 HydrophobicContact CD1-CD1 3.81Å; I710-L1946 HydrophobicContact CD1-CG 4.25Å; I710-L1946 HydrophobicContact CG1-CB 4.2Å; I710-L1946 HydrophobicContact CG1-CD1 4.33Å; I710-L1946 VanDerWaalsContact O-CB 3.26Å; I710-L1946 WeakPolarHBondContact O-CB 3.39Å; I710-L1946 VanDerWaalsContact O-CD1 3.27Å; I710-L1946 WeakPolarHBondContact O-CD1 3.21Å; I710-L1946 VanDerWaalsContact O-CG 3.26Å; I710-L1946 WeakPolarHBondContact O-CG 3.08Å; V711-L1946 HydrophobicContact CB-CG 4.41Å | ||
| 1947 | S | 33.6 | Very low | 29 | Very low | 134 Ų | 134 | 111.4 Ų | 111.4 | 94% | 0.937 | 60% | 0.6 | S | S | * | * | cis | -51.1 | 0 | 9.5 | 63.9 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 1,947 of 1,947 residues in 609 ms
(Link to these results)