| 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 | 33.9 | Very low | 37.1 | Very low | 231 Ų | 231 | 116.5 Ų | 116.5 | 100% | 1.138 | 61% | 0.612 | S | S | * | * | 0 | 87 | 0 | -155.8 | 171 | 81.5 | 0 | 0 | 107 | L3 | M1-L3 PolarHBondContact O-N 3.32Š| |||
| 2 | I | 28.7 | Very low | 38.4 | Very low | 159 Ų | 159 | 107.5 Ų | 107.5 | 82% | 0.815 | 57% | 0.566 | S | S | * | * | trans | -82.6 | 100.7 | -176.6 | -65.4 | 168.7 | 0 | 0 | 0 | 106.5 | L4 | I2-L4 HydrophobicContact CG2-CG 4.37Å; I2-L4 PolarHBondContact O-N 3.39Å; I2-L4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | L | 25.8 | Very low | 39.4 | Very low | 145 Ų | 145 | 99.8 Ų | 99.8 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | trans | -74.5 | 91.8 | 172.2 | -159.2 | 81.3 | 0 | 0 | 0 | 107.2 | M1 L5 | M1-L3 PolarHBondContact O-N 3.32Å; L3-L5 PolarHBondContact O-N 2.97Å | ||
| 4 | L | 28.7 | Very low | 39.9 | Very low | 145 Ų | 145 | 93.9 Ų | 93.9 | 76% | 0.759 | 49% | 0.493 | S | S | * | . | trans | -64.8 | 100.7 | 168.3 | -87.4 | 140.4 | 0 | 0 | 0 | 107.8 | I2 I6 | I2-L4 HydrophobicContact CG2-CG 4.37Å; I2-L4 PolarHBondContact O-N 3.39Å; I2-L4 VanDerWaalsContact O-N 3.09Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.39Å | ||
| 5 | L | 28.2 | Very low | 40.3 | Very low | 147 Ų | 147 | 88.3 Ų | 88.3 | 77% | 0.77 | 46% | 0.464 | S | S | * | . | trans | -61.4 | 97.1 | 163.4 | -79.1 | 155.4 | 0 | 0 | 0 | 107.5 | L3 T7 | L3-L5 PolarHBondContact O-N 2.97Å; L5-T7 PolarHBondContact O-N 2.75Å | ||
| 6 | I | 33.4 | Very low | 40.6 | Very low | 139 Ų | 139 | 87 Ų | 87 | 71% | 0.713 | 46% | 0.458 | S | S | * | . | trans | -67.4 | 86.4 | 168.6 | -55.4 | 173.4 | 0 | 0 | 0 | 106.2 | L4 T8 | L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.39Å; I6-T8 PolarHBondContact O-N 3Å | ||
| 7 | T | 36.9 | Very low | 40.7 | Very low | 102 Ų | 102 | 89.1 Ų | 89.1 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | trans | -67.8 | 119.1 | 165.7 | 25 | 0 | 0 | 0 | 0 | 106.5 | L5 I9 | L5-T7 PolarHBondContact O-N 2.75Å; T7-I9 PolarHBondContact O-N 3.03Å | ||
| 8 | T | 43.6 | Very low | 40.9 | Very low | 60 Ų | 60 | 93.3 Ų | 93.3 | 37% | 0.368 | 49% | 0.486 | S | S | . | . | trans | -56.2 | 101.5 | 174.5 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | I6 I10 N26 I223 | I6-T8 PolarHBondContact O-N 3Å; T8-I10 HydrophobicContact CG2-CG1 4.02Å; T8-I10 PolarHBondContact O-N 3.13Å; T8-I10 VanDerWaalsContact O-N 3.12Å; T8-N26 PolarHBondContact O-OD1 3.21Å; T8-I223 WeakPolarHBondContact CG2-O 3.29Å | ||
| 9 | I | 45.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 91.7 Ų | 91.7 | 59% | 0.585 | 48% | 0.478 | S | S | * | . | trans | -74.9 | 102.7 | 172.9 | -58.2 | 176.3 | 0 | 0 | 0 | 106.8 | T7 I11 | T7-I9 PolarHBondContact O-N 3.03Å; I9-I11 HydrophobicContact CG2-CD1 4.46Å; I9-I11 HydrophobicContact CG2-CG1 3.98Å | ||
| 10 | I | 49.1 | Very low | 42.2 | Very low | 21 Ų | 21 | 87.4 Ų | 87.4 | 11% | 0.108 | 46% | 0.456 | C | S | . | . | trans | -87.9 | 124.2 | 165.4 | -48.5 | 178.1 | 0 | 0 | 0 | 106.4 | T8 V12 Y230 | T8-I10 HydrophobicContact CG2-CG1 4.02Å; T8-I10 PolarHBondContact O-N 3.13Å; T8-I10 VanDerWaalsContact O-N 3.12Å; I10-V12 HydrophobicContact CB-CG2 4.23Å; I10-V12 HydrophobicContact CG2-CG2 3.29Å; I10-Y230 WeakPolarHBondContact CD1-OH 3.44Å | ||
| 11 | I | 55 | Low | 42.6 | Very low | 18 Ų | 18 | 87.2 Ų | 87.2 | 9% | 0.092 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 98.5 | 170.6 | -59.8 | 179.1 | 0 | 0 | 0 | 104.9 | I9 Q24 L180 G220 W221 | I9-I11 HydrophobicContact CG2-CD1 4.46Å; I9-I11 HydrophobicContact CG2-CG1 3.98Å; I11-Q24 HydrophobicContact CG1-CG 4.08Å; I11-Q24 HydrophobicContact CG2-CG 4.4Å; I11-L180 HydrophobicContact CG2-CD1 4.18Å; I11-G220 CarbonylContact O-C 3.56Å; I11-G220 WeakPolarHBondContact O-CA 3.39Å; I11-W221 HydrophobicContact CB-CD2 4.25Å; I11-W221 HydrophobicContact CB-CE3 4.46Å; I11-W221 HydrophobicContact CB-CH2 4.07Å; I11-W221 HydrophobicContact CB-CZ2 3.9Å; I11-W221 HydrophobicContact CB-CZ3 4.34Å; I11-W221 HydrophobicContact CD1-CH2 4.03Å; I11-W221 HydrophobicContact CD1-CZ2 3.27Å; I11-W221 HydrophobicContact CG1-CZ2 4.07Å; I11-W221 HydrophobicContact CG2-CH2 3.69Å; I11-W221 HydrophobicContact CG2-CZ2 3.99Å; I11-W221 HydrophobicContact CG2-CZ3 3.99Å; I11-W221 PolarHBondContact N-O 2.98Å; I11-W221 PolarHBondContact O-N 3.06Å; I11-W221 VanDerWaalsContact O-N 3.09Å |
| 12 | V | 52.4 | Low | 43.3 | Very low | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.6 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | I10 F14 F30 I219 L232 | I10-V12 HydrophobicContact CB-CG2 4.23Å; I10-V12 HydrophobicContact CG2-CG2 3.29Å; V12-F14 HydrophobicContact CB-CD2 4.4Å; V12-F14 HydrophobicContact CB-CE2 3.89Å; V12-F14 HydrophobicContact CG1-CE2 4.33Å; V12-F14 VanDerWaalsContact O-CD2 3.28Å; V12-F14 WeakPolarHBondContact O-CD2 3.47Å; V12-F30 HydrophobicContact CG1-CD2 4.39Å; V12-F30 HydrophobicContact CG1-CE2 4.4Å; V12-I219 HydrophobicContact CG1-CD1 4.31Å; V12-L232 HydrophobicContact CG1-CD2 4.07Å; V12-L232 HydrophobicContact CG2-CD2 3.89Å |
| 13 | L | 51.7 | Low | 44.1 | Very low | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.4 | 169.8 | -65.9 | 178.5 | 0 | 0 | 0 | 110.2 | L22 I179 G183 P184 I219 | L13-L22 HydrophobicContact CD2-CB 4.33Å; L13-L22 HydrophobicContact CD2-CD2 3.28Å; L13-L22 HydrophobicContact CD2-CG 4.37Å; L13-I179 HydrophobicContact CD1-CG2 3.43Å; L13-I179 VanDerWaalsContact CD1-CG2 3.43Å; L13-I179 HydrophobicContact CG-CG2 3.98Å; L13-G183 VanDerWaalsContact CD1-CA 3.43Å; L13-P184 HydrophobicContact CB-CG 4.27Å; L13-P184 HydrophobicContact CD1-CB 4.48Å; L13-P184 VanDerWaalsContact CD1-CD 3.41Å; L13-P184 HydrophobicContact CD1-CG 3.64Å; L13-P184 VanDerWaalsContact CD1-N 3.28Å; L13-I219 WeakPolarHBondContact CB-O 3.27Å; L13-I219 WeakPolarHBondContact CG-O 3.32Å; L13-I219 PolarHBondContact N-O 3.11Å; L13-I219 VanDerWaalsContact N-O 3.11Å |
| 14 | F | 45.4 | Very low | 44.6 | Very low | 17 Ų | 17 | 73.5 Ų | 73.5 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.5 | -178.9 | -72.5 | -117.1 | 0 | 0 | 0 | 109 | V12 C20 H21 I23 Q25 F30 | V12-F14 HydrophobicContact CB-CD2 4.4Å; V12-F14 HydrophobicContact CB-CE2 3.89Å; V12-F14 HydrophobicContact CG1-CE2 4.33Å; V12-F14 VanDerWaalsContact O-CD2 3.28Å; V12-F14 WeakPolarHBondContact O-CD2 3.47Å; F14-C20 CarbonylContact O-C 3.53Å; F14-C20 VanDerWaalsContact O-CA 3.31Å; F14-C20 WeakPolarHBondContact O-CA 3.33Å; F14-H21 WeakPolarHBondContact CA-O 3.3Å; F14-H21 WeakPolarHBondContact CB-O 3.41Å; F14-H21 PolarHBondContact N-O 3.04Å; F14-H21 CarbonylContact O-C 3.47Å; F14-H21 PolarHBondContact O-N 3.01Å; F14-I23 HydrophobicContact CB-CB 4.42Å; F14-I23 HydrophobicContact CB-CD1 4.22Å; F14-I23 HydrophobicContact CB-CG1 4.26Å; F14-I23 HydrophobicContact CD1-CD1 4.47Å; F14-I23 HydrophobicContact CD2-CB 3.59Å; F14-I23 HydrophobicContact CD2-CG1 4.33Å; F14-I23 HydrophobicContact CD2-CG2 4.44Å; F14-I23 WeakPolarHBondContact CD2-O 3.1Å; F14-I23 HydrophobicContact CE2-CB 4.05Å; F14-I23 HydrophobicContact CE2-CG2 4.46Å; F14-I23 WeakPolarHBondContact CE2-O 3.2Å; F14-I23 HydrophobicContact CG-CB 4.05Å; F14-I23 HydrophobicContact CG-CD1 4.2Å; F14-I23 HydrophobicContact CG-CG1 4.32Å; F14-Q25 HydrophobicContact CE1-CB 4.34Å; F14-Q25 HydrophobicContact CE2-CB 3.63Å; F14-Q25 HydrophobicContact CZ-CB 3.43Å; F14-Q25 VanDerWaalsContact CZ-CB 3.43Å; F14-F30 HydrophobicContact CB-CE1 4.13Å; F14-F30 HydrophobicContact CB-CE2 3.7Å; F14-F30 HydrophobicContact CB-CZ 3.23Å; F14-F30 HydrophobicContact CD1-CE1 4.39Å; F14-F30 AromaticContact CD1-CE2 3.39Å; F14-F30 HydrophobicContact CD1-CE2 3.39Å; F14-F30 AromaticContact CD1-CZ 3.14Å; F14-F30 HydrophobicContact CD1-CZ 3.14Å; F14-F30 HydrophobicContact CD2-CE2 4.05Å; F14-F30 HydrophobicContact CD2-CZ 4.35Å; F14-F30 AromaticContact CE1-CE2 3.85Å; F14-F30 HydrophobicContact CE1-CE2 3.85Å; F14-F30 AromaticContact CE1-CZ 3.96Å; F14-F30 HydrophobicContact CE1-CZ 3.96Å; F14-F30 AromaticContact CG-CE2 3.42Å; F14-F30 HydrophobicContact CG-CE2 3.42Å; F14-F30 VanDerWaalsContact CG-CE2 3.42Å; F14-F30 AromaticContact CG-CZ 3.3Å; F14-F30 HydrophobicContact CG-CZ 3.3Å; F14-F30 HydrophobicContact CZ-CE2 4.39Å |
| 15 | V | 46 | Very low | 44.8 | Very low | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 91.3 | 172.2 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | C20 F30 L33 D54 I58 | V15-C20 HydrophobicContact CG1-CB 4.07Å; V15-C20 WeakPolarHBondContact CG1-SG 3.44Å; V15-C20 HydrophobicContact CG2-CB 4.44Å; V15-F30 VanDerWaalsContact C-CD1 3.4Å; V15-F30 WeakPolarHBondContact O-CD1 3.18Å; V15-F30 WeakPolarHBondContact O-CE1 3.38Å; V15-L33 HydrophobicContact CG1-CD1 4.28Å; V15-D54 HydrophobicContact CG1-CB 4.47Å; V15-D54 WeakPolarHBondContact CG1-OD1 3.38Å; V15-D54 HydrophobicContact CG2-CB 4.01Å; V15-I58 HydrophobicContact CG2-CD1 4.22Å |
| 16 | D | 46.1 | Very low | 44.9 | Very low | 67 Ų | 67 | 68.8 Ų | 68.8 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | trans | -99.4 | 165.9 | 164.2 | 64.4 | 52.7 | 0 | 0 | 0 | 109.8 | E18 N19 F30 | D16-E18 PolarHBondContact O-N 3.47Å; D16-E18 WeakPolarHBondContact OD1-CA 3.02Å; D16-E18 PolarHBondContact OD1-N 3Å; D16-N19 PolarHBondContact N-O 2.04Å; D16-N19 PolarHBondContact O-N 2.96Å; D16-N19 WeakPolarHBondContact OD1-CA 3.16Å; D16-N19 PolarHBondContact OD1-N 3.15Å; D16-F30 HydrophobicContact CB-CD1 4.32Å; D16-F30 HydrophobicContact CB-CE1 3.87Å | ||
| 17 | N | 41.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 70 Ų | 70 | 66% | 0.658 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -56.9 | -17.5 | -177.5 | -84.1 | -21.1 | 0 | 0 | 0 | 113.8 | L33 | N17-L33 WeakPolarHBondContact OD1-CD2 3.46Š|
| 18 | E | 43.5 | Very low | 44.2 | Very low | 164 Ų | 164 | 69 Ų | 69 | 77% | 0.766 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -108.4 | -25.7 | -178 | -61 | -169 | 169.1 | 0 | 0 | 113.1 | D16 | D16-E18 PolarHBondContact O-N 3.47Å; D16-E18 WeakPolarHBondContact OD1-CA 3.02Å; D16-E18 PolarHBondContact OD1-N 3Å |
| 19 | N | 50.5 | Low | 43.7 | Very low | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | trans | -147.7 | 117.2 | -170.8 | -64.1 | -66.3 | 0 | 0 | 0 | 112 | D16 | D16-N19 PolarHBondContact N-O 2.04Å; D16-N19 PolarHBondContact O-N 2.96Å; D16-N19 WeakPolarHBondContact OD1-CA 3.16Å; D16-N19 PolarHBondContact OD1-N 3.15Å | ||
| 20 | C | 58.8 | Low | 43.1 | Very low | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 80.9 | 175.4 | -46.5 | 0 | 0 | 0 | 0 | 109.3 | F14 V15 C57 I58 N62 | F14-C20 CarbonylContact O-C 3.53Å; F14-C20 VanDerWaalsContact O-CA 3.31Å; F14-C20 WeakPolarHBondContact O-CA 3.33Å; V15-C20 HydrophobicContact CG1-CB 4.07Å; V15-C20 WeakPolarHBondContact CG1-SG 3.44Å; V15-C20 HydrophobicContact CG2-CB 4.44Å; C20-C57 HydrophobicContact CB-CB 3.52Å; C20-C57 WeakPolarHBondContact CB-SG 3.37Å; C20-C57 WeakPolarHBondContact SG-CB 3.16Å; C20-C57 CovalentContact SG-SG 2Å; C20-C57 PolarHBondContact SG-SG 3.45Å; C20-I58 HydrophobicContact CB-CG1 4.19Å; C20-N62 VanDerWaalsContact C-OD1 3.32Å; C20-N62 VanDerWaalsContact CA-OD1 3.3Å; C20-N62 WeakPolarHBondContact CA-OD1 3.37Å; C20-N62 WeakPolarHBondContact CB-OD1 3.14Å; C20-N62 PolarHBondContact N-OD1 3.15Å; C20-N62 PolarHBondContact O-OD1 3.48Å |
| 21 | H | 49.3 | Very low | 42.5 | Very low | 84 Ų | 84 | 72.9 Ų | 72.9 | 39% | 0.389 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.6 | -178.6 | -67 | -55.3 | 0 | 0 | 0 | 111.4 | F14 I23 N62 | F14-H21 WeakPolarHBondContact CA-O 3.3Å; F14-H21 WeakPolarHBondContact CB-O 3.41Å; F14-H21 PolarHBondContact N-O 3.04Å; F14-H21 CarbonylContact O-C 3.47Å; F14-H21 PolarHBondContact O-N 3.01Å; H21-I23 VanDerWaalsContact C-N 3.34Å; H21-I23 HydrophobicContact CB-CD1 3.56Å; H21-I23 HydrophobicContact CB-CG1 3.31Å; H21-I23 PolarHBondContact O-N 3.24Å; H21-N62 PolarHBondContact CE1-ND2 3.17Å; H21-N62 PolarHBondContact NE2-ND2 2.85Å |
| 22 | L | 50 | Low | 41.6 | Very low | 82 Ų | 82 | 72.5 Ų | 72.5 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 93.3 | 161.4 | -57.9 | 169.2 | 0 | 0 | 0 | 107.1 | L13 I58 | L13-L22 HydrophobicContact CD2-CB 4.33Å; L13-L22 HydrophobicContact CD2-CD2 3.28Å; L13-L22 HydrophobicContact CD2-CG 4.37Å; L22-I58 HydrophobicContact CD1-CG2 4.38Å; L22-I58 HydrophobicContact CD2-CD1 4.25Å; L22-I58 HydrophobicContact CD2-CG2 4.05Å; L22-I58 HydrophobicContact CG-CG2 4.14Å |
| 23 | I | 44 | Very low | 41.1 | Very low | 46 Ų | 46 | 74 Ų | 74 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.6 | -179.1 | -50.8 | -178.5 | 0 | 0 | 0 | 110.8 | F14 H21 Q25 | F14-I23 HydrophobicContact CB-CB 4.42Å; F14-I23 HydrophobicContact CB-CD1 4.22Å; F14-I23 HydrophobicContact CB-CG1 4.26Å; F14-I23 HydrophobicContact CD1-CD1 4.47Å; F14-I23 HydrophobicContact CD2-CB 3.59Å; F14-I23 HydrophobicContact CD2-CG1 4.33Å; F14-I23 HydrophobicContact CD2-CG2 4.44Å; F14-I23 WeakPolarHBondContact CD2-O 3.1Å; F14-I23 HydrophobicContact CE2-CB 4.05Å; F14-I23 HydrophobicContact CE2-CG2 4.46Å; F14-I23 WeakPolarHBondContact CE2-O 3.2Å; F14-I23 HydrophobicContact CG-CB 4.05Å; F14-I23 HydrophobicContact CG-CD1 4.2Å; F14-I23 HydrophobicContact CG-CG1 4.32Å; H21-I23 VanDerWaalsContact C-N 3.34Å; H21-I23 HydrophobicContact CB-CD1 3.56Å; H21-I23 HydrophobicContact CB-CG1 3.31Å; H21-I23 PolarHBondContact O-N 3.24Å; I23-Q25 HydrophobicContact CG2-CB 3.8Å; I23-Q25 HydrophobicContact CG2-CG 3.4Å; I23-Q25 VanDerWaalsContact CG2-CG 3.4Å; I23-Q25 PolarHBondContact O-N 3.37Å; I23-Q25 VanDerWaalsContact O-N 3.14Å |
| 24 | Q | 37.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 74 Ų | 74 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | trans | -74.8 | 99.5 | 163.3 | -62.4 | -176 | -28.1 | 0 | 0 | 108.9 | I11 | I11-Q24 HydrophobicContact CG1-CG 4.08Å; I11-Q24 HydrophobicContact CG2-CG 4.4Å | ||
| 25 | Q | 33.3 | Very low | 40.7 | Very low | 90 Ų | 90 | 74.4 Ų | 74.4 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | trans | -139.9 | 148 | -179.6 | -97.6 | 178.7 | 23.9 | 0 | 0 | 113.7 | F14 I23 K27 | F14-Q25 HydrophobicContact CE1-CB 4.34Å; F14-Q25 HydrophobicContact CE2-CB 3.63Å; F14-Q25 HydrophobicContact CZ-CB 3.43Å; F14-Q25 VanDerWaalsContact CZ-CB 3.43Å; I23-Q25 HydrophobicContact CG2-CB 3.8Å; I23-Q25 HydrophobicContact CG2-CG 3.4Å; I23-Q25 VanDerWaalsContact CG2-CG 3.4Å; I23-Q25 PolarHBondContact O-N 3.37Å; I23-Q25 VanDerWaalsContact O-N 3.14Å; Q25-K27 PolarHBondContact O-N 2.02Å | ||
| 26 | N | 29.6 | Very low | 40.4 | Very low | 102 Ų | 102 | 74.1 Ų | 74.1 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -77.1 | 116.1 | 174.6 | -93.8 | -31.2 | 0 | 0 | 0 | 110.2 | T8 | T8-N26 PolarHBondContact O-OD1 3.21Š|
| 27 | K | 29.3 | Very low | 40 | Very low | 166 Ų | 166 | 71 Ų | 71 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 51.9 | 87.6 | 161.6 | -67.5 | -176.1 | 175.4 | -176.3 | 0 | 115.6 | Q25 | Q25-K27 PolarHBondContact O-N 2.02Š|
| 28 | T | 27 | Very low | 39.9 | Very low | 81 Ų | 81 | 65.7 Ų | 65.7 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | trans | -148.3 | 117.8 | 149.3 | -6.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 29 | Y | 32.3 | Very low | 39.7 | Very low | 92 Ų | 92 | 59.3 Ų | 59.3 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 138.4 | 179 | -69.8 | -96.2 | 0 | 0 | 0 | 108.3 | D243 Y246 K248 | Y29-D243 WeakPolarHBondContact CE1-OD2 3.31Å; Y29-D243 VanDerWaalsContact CZ-OD2 3.3Å; Y29-D243 PolarHBondContact OH-OD2 3.1Å; Y29-Y246 AromaticContact CD1-CD2 3.86Å; Y29-Y246 HydrophobicContact CD1-CD2 3.86Å; Y29-Y246 HydrophobicContact CD1-CE2 4.44Å; Y29-Y246 HydrophobicContact CD1-CG 4.21Å; Y29-K248 PolarHBondContact OH-NZ 3.05Å |
| 30 | F | 32.5 | Very low | 39.6 | Very low | 28 Ų | 28 | 59.6 Ų | 59.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 159.1 | 173.5 | -81.6 | -84.3 | 0 | 0 | 0 | 110.4 | V12 F14 V15 D16 Y246 | V12-F30 HydrophobicContact CG1-CD2 4.39Å; V12-F30 HydrophobicContact CG1-CE2 4.4Å; F14-F30 HydrophobicContact CB-CE1 4.13Å; F14-F30 HydrophobicContact CB-CE2 3.7Å; F14-F30 HydrophobicContact CB-CZ 3.23Å; F14-F30 HydrophobicContact CD1-CE1 4.39Å; F14-F30 AromaticContact CD1-CE2 3.39Å; F14-F30 HydrophobicContact CD1-CE2 3.39Å; F14-F30 AromaticContact CD1-CZ 3.14Å; F14-F30 HydrophobicContact CD1-CZ 3.14Å; F14-F30 HydrophobicContact CD2-CE2 4.05Å; F14-F30 HydrophobicContact CD2-CZ 4.35Å; F14-F30 AromaticContact CE1-CE2 3.85Å; F14-F30 HydrophobicContact CE1-CE2 3.85Å; F14-F30 AromaticContact CE1-CZ 3.96Å; F14-F30 HydrophobicContact CE1-CZ 3.96Å; F14-F30 AromaticContact CG-CE2 3.42Å; F14-F30 HydrophobicContact CG-CE2 3.42Å; F14-F30 VanDerWaalsContact CG-CE2 3.42Å; F14-F30 AromaticContact CG-CZ 3.3Å; F14-F30 HydrophobicContact CG-CZ 3.3Å; F14-F30 HydrophobicContact CZ-CE2 4.39Å; V15-F30 VanDerWaalsContact C-CD1 3.4Å; V15-F30 WeakPolarHBondContact O-CD1 3.18Å; V15-F30 WeakPolarHBondContact O-CE1 3.38Å; D16-F30 HydrophobicContact CB-CD1 4.32Å; D16-F30 HydrophobicContact CB-CE1 3.87Å; F30-Y246 WeakPolarHBondContact CB-OH 3.26Å; F30-Y246 WeakPolarHBondContact O-CE2 3.4Å; F30-Y246 PolarHBondContact O-OH 2.99Å |
| 31 | H | 36.6 | Very low | 39.4 | Very low | 155 Ų | 155 | 60.8 Ų | 60.8 | 72% | 0.718 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 126 | 156.5 | -85.7 | -81 | 0 | 0 | 0 | 107 | L33 | H31-L33 PolarHBondContact O-N 2.74Š|
| 32 | P | 36.7 | Very low | 39.9 | Very low | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 129.1 | 169.8 | 21.6 | -29.4 | 0 | 0 | 0 | 108.4 | S34 | P32-S34 PolarHBondContact O-N 3.32Š|
| 33 | L | 42.2 | Very low | 41 | Very low | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -63.6 | -7.3 | 180 | -77.2 | 170.3 | 0 | 0 | 0 | 112.8 | V15 N17 H31 D54 E67 | V15-L33 HydrophobicContact CG1-CD1 4.28Å; N17-L33 WeakPolarHBondContact OD1-CD2 3.46Å; H31-L33 PolarHBondContact O-N 2.74Å; L33-D54 VanDerWaalsContact CD1-OD1 3.28Å; L33-D54 WeakPolarHBondContact CD1-OD1 3.4Å; L33-E67 VanDerWaalsContact O-OE1 3.13Å |
| 34 | S | 43.4 | Very low | 42.7 | Very low | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -141.9 | 120.1 | 167.7 | 88.8 | 0 | 0 | 0 | 0 | 110 | P32 Q36 F46 E50 | P32-S34 PolarHBondContact O-N 3.32Å; S34-Q36 PolarHBondContact O-N 3.1Å; S34-F46 WeakPolarHBondContact OG-CD1 3.31Å; S34-E50 PolarHBondContact OG-OE1 3.47Å | ||
| 35 | D | 45.3 | Very low | 45.1 | Very low | 26 Ų | 26 | 46.4 Ų | 46.4 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | trans | -83.4 | 21.8 | 165.4 | -92.3 | -37.5 | 0 | 0 | 0 | 110 | L37 E120 N238 N239 | D35-L37 WeakPolarHBondContact O-CD1 3.45Å; D35-L37 PolarHBondContact O-N 3.34Å; D35-E120 HydrophobicContact CB-CG 4.37Å; D35-E120 WeakPolarHBondContact CB-OE1 3.21Å; D35-E120 VanDerWaalsContact O-CG 3.3Å; D35-E120 WeakPolarHBondContact O-CG 3.46Å; D35-N238 HydrophobicContact CB-CB 4.4Å; D35-N238 VanDerWaalsContact OD1-CA 3.32Å; D35-N238 WeakPolarHBondContact OD1-CA 3.19Å; D35-N239 PolarHBondContact OD1-N 3.4Å; D35-N239 PolarHBondContact OD1-ND2 3.44Å; D35-N239 PolarHBondContact OD2-ND2 2.81Å | ||
| 36 | Q | 39.3 | Very low | 47.8 | Very low | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | trans | -81.8 | 120.9 | -164.7 | -67.6 | -179.7 | 29.1 | 0 | 0 | 112.9 | S34 F46 G105 S106 Y116 | S34-Q36 PolarHBondContact O-N 3.1Å; Q36-F46 HydrophobicContact CB-CD1 4.37Å; Q36-F46 HydrophobicContact CB-CE1 3.36Å; Q36-F46 HydrophobicContact CB-CZ 3.52Å; Q36-F46 HydrophobicContact CG-CE1 4.05Å; Q36-F46 HydrophobicContact CG-CZ 4.39Å; Q36-G105 PolarHBondContact NE2-O 2.81Å; Q36-G105 VanDerWaalsContact NE2-O 3.16Å; Q36-S106 VanDerWaalsContact NE2-N 3.2Å; Q36-Y116 HydrophobicContact CB-CD1 4.21Å; Q36-Y116 HydrophobicContact CB-CE1 4.32Å; Q36-Y116 HydrophobicContact CG-CD1 4.25Å; Q36-Y116 VanDerWaalsContact OE1-CD1 3.3Å | ||
| 37 | L | 37.6 | Very low | 50.6 | Low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -101.4 | 135 | 174.6 | -67.9 | 85.7 | 0 | 0 | 0 | 111.6 | D35 E120 C121 H123 C133 N238 | D35-L37 WeakPolarHBondContact O-CD1 3.45Å; D35-L37 PolarHBondContact O-N 3.34Å; L37-E120 HydrophobicContact CD1-CB 4.05Å; L37-E120 HydrophobicContact CD1-CG 4.34Å; L37-C121 HydrophobicContact CB-CB 4.39Å; L37-C121 WeakPolarHBondContact CB-SG 3.09Å; L37-C121 VanDerWaalsContact CD1-O 3.3Å; L37-C121 WeakPolarHBondContact CD1-O 3.46Å; L37-C121 HydrophobicContact CD2-CB 4.03Å; L37-C121 WeakPolarHBondContact CD2-O 3.46Å; L37-C121 WeakPolarHBondContact CD2-SG 3.3Å; L37-H123 HydrophobicContact CD2-CB 4.33Å; L37-H123 WeakPolarHBondContact CD2-CE1 3.3Å; L37-H123 WeakPolarHBondContact CD2-ND1 3.49Å; L37-H123 WeakPolarHBondContact CG-CE1 3.35Å; L37-H123 WeakPolarHBondContact CG-ND1 3.14Å; L37-C133 WeakPolarHBondContact CD2-SG 3.15Å; L37-N238 HydrophobicContact CD1-CB 3.68Å | ||
| 38 | I | 40.3 | Very low | 53.7 | Low | 12 Ų | 12 | 29.7 Ų | 29.7 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | trans | -136.4 | 147.1 | 130.1 | -76.6 | -172.4 | 0 | 0 | 0 | 106.2 | Y116 F118 F138 | I38-Y116 HydrophobicContact CD1-CE1 4.48Å; I38-Y116 WeakPolarHBondContact CD1-OH 3.46Å; I38-Y116 HydrophobicContact CG1-CE1 4.26Å; I38-Y116 WeakPolarHBondContact CG1-OH 3.03Å; I38-F118 HydrophobicContact CD1-CB 3.63Å; I38-F118 HydrophobicContact CD1-CD1 3.91Å; I38-F118 HydrophobicContact CD1-CD2 2.97Å; I38-F118 HydrophobicContact CD1-CE1 4.21Å; I38-F118 HydrophobicContact CD1-CE2 3.29Å; I38-F118 HydrophobicContact CD1-CG 3.25Å; I38-F118 HydrophobicContact CD1-CZ 3.9Å; I38-F118 HydrophobicContact CG1-CB 3.88Å; I38-F118 HydrophobicContact CG1-CD2 3.98Å; I38-F118 HydrophobicContact CG1-CG 4.07Å; I38-F138 HydrophobicContact CD1-CB 3.68Å; I38-F138 HydrophobicContact CD1-CD2 3.29Å; I38-F138 HydrophobicContact CD1-CE2 4.11Å; I38-F138 HydrophobicContact CD1-CG 3.79Å; I38-F138 HydrophobicContact CG1-CD2 3.68Å; I38-F138 HydrophobicContact CG1-CE2 4.16Å; I38-F138 HydrophobicContact CG2-CD2 4.4Å | ||
| 39 | T | 39.5 | Very low | 56.9 | Low | 30 Ų | 30 | 26.1 Ų | 26.1 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -22.2 | 149.8 | 161.2 | 40.6 | 0 | 0 | 0 | 0 | 114.2 | I41 H123 C133 | T39-I41 WeakPolarHBondContact O-CA 3.3Å; T39-I41 WeakPolarHBondContact O-CB 3.24Å; T39-I41 PolarHBondContact O-N 3.25Å; T39-H123 PolarHBondContact N-NE2 2.94Å; T39-C133 HydrophobicContact CG2-CB 3.96Å |
| 40 | F | 47.6 | Very low | 59.7 | Low | 71 Ų | 71 | 22.1 Ų | 22.1 | 31% | 0.311 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -1.4 | 13 | 171.5 | -94 | -100.3 | 0 | 0 | 0 | 124.8 | K43 V191 L196 L211 | F40-K43 WeakPolarHBondContact O-CD 3.49Å; F40-K43 WeakPolarHBondContact O-CE 3.22Å; F40-K43 PolarHBondContact O-NZ 2.83Å; F40-V191 HydrophobicContact CZ-CG1 4.47Å; F40-L196 HydrophobicContact CE2-CD2 4.38Å; F40-L196 HydrophobicContact CZ-CD2 3.97Å; F40-L211 HydrophobicContact CE1-CB 4.25Å; F40-L211 HydrophobicContact CZ-CD1 4.36Å |
| 41 | I | 54.8 | Low | 62.6 | Low | 30 Ų | 30 | 20.8 Ų | 20.8 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -41.8 | -138.4 | -84.7 | 173.4 | 0 | 0 | 0 | 110.8 | T39 K43 C84 G86 Y137 | T39-I41 WeakPolarHBondContact O-CA 3.3Å; T39-I41 WeakPolarHBondContact O-CB 3.24Å; T39-I41 PolarHBondContact O-N 3.25Å; I41-K43 VanDerWaalsContact C-N 3.34Å; I41-K43 PolarHBondContact O-N 2.99Å; I41-C84 HydrophobicContact CG2-CB 3.6Å; I41-C84 WeakPolarHBondContact CG2-O 3.12Å; I41-G86 PolarHBondContact O-N 3.03Å; I41-Y137 HydrophobicContact CD1-CE2 4.32Å |
| 42 | N | 60.2 | Low | 65.4 | Low | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.011 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -94.5 | 13.4 | -175.2 | -67.4 | -20.3 | 0 | 0 | 0 | 114.8 | H44 A45 F46 L74 C84 Y116 | N42-H44 VanDerWaalsContact C-N 3.32Å; N42-H44 PolarHBondContact O-N 2.85Å; N42-H44 VanDerWaalsContact O-N 3.16Å; N42-A45 PolarHBondContact O-N 3.03Å; N42-F46 HydrophobicContact CB-CD2 4.05Å; N42-F46 HydrophobicContact CB-CE2 3.93Å; N42-F46 WeakPolarHBondContact O-CD2 3.15Å; N42-L74 HydrophobicContact CB-CD1 4.25Å; N42-L74 HydrophobicContact CB-CD2 4.33Å; N42-L74 WeakPolarHBondContact OD1-CD1 3.3Å; N42-L74 WeakPolarHBondContact OD1-CD2 3.11Å; N42-C84 PolarHBondContact ND2-SG 2.83Å; N42-C84 WeakPolarHBondContact OD1-CA 3.47Å; N42-C84 PolarHBondContact OD1-SG 3.33Å; N42-Y116 PolarHBondContact ND2-OH 2.83Å |
| 43 | K | 72 | Confident | 68.1 | Low | 21 Ų | 21 | 13.2 Ų | 13.2 | 9% | 0.091 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.5 | -40.9 | -161.2 | -55.4 | 158.6 | 149.5 | 172 | 0 | 113.7 | F40 I41 A45 G47 G213 H214 A215 | F40-K43 WeakPolarHBondContact O-CD 3.49Å; F40-K43 WeakPolarHBondContact O-CE 3.22Å; F40-K43 PolarHBondContact O-NZ 2.83Å; I41-K43 VanDerWaalsContact C-N 3.34Å; I41-K43 PolarHBondContact O-N 2.99Å; K43-A45 VanDerWaalsContact C-N 3.31Å; K43-A45 PolarHBondContact O-N 3.13Å; K43-G47 PolarHBondContact O-N 3.15Å; K43-G213 PolarHBondContact NZ-O 3.24Å; K43-H214 WeakPolarHBondContact CB-ND1 3.45Å; K43-H214 HydrophobicContact CD-CB 4.29Å; K43-H214 WeakPolarHBondContact CD-ND1 3.47Å; K43-H214 WeakPolarHBondContact CE-ND1 3.3Å; K43-H214 WeakPolarHBondContact CG-ND1 3.47Å; K43-A215 HydrophobicContact CB-CB 4.09Å |
| 44 | H | 79.6 | Confident | 70.4 | Confident | 5 Ų | 5 | 11.2 Ų | 11.2 | 2% | 0.023 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -71.4 | -20.3 | -177.9 | 74.3 | -77 | 0 | 0 | 0 | 114.2 | N42 A48 G87 P89 | N42-H44 VanDerWaalsContact C-N 3.32Å; N42-H44 PolarHBondContact O-N 2.85Å; N42-H44 VanDerWaalsContact O-N 3.16Å; H44-A48 WeakPolarHBondContact O-CB 3.47Å; H44-G87 WeakPolarHBondContact ND1-CA 3.48Å; H44-G87 PolarHBondContact ND1-N 3.17Å; H44-P89 HydrophobicContact CB-CG 4.21Å |
| 45 | A | 88.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -82.8 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N42 K43 V49 L73 L74 | N42-A45 PolarHBondContact O-N 3.03Å; K43-A45 VanDerWaalsContact C-N 3.31Å; K43-A45 PolarHBondContact O-N 3.13Å; A45-V49 WeakPolarHBondContact O-CG1 3.18Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.16Å; A45-L73 HydrophobicContact CB-CD2 3.92Å; A45-L73 HydrophobicContact CB-CG 4.25Å; A45-L74 HydrophobicContact CB-CB 4.21Å; A45-L74 HydrophobicContact CB-CD1 4.14Å |
| 46 | F | 89.5 | Confident | 75.2 | Confident | 5 Ų | 5 | 9.9 Ų | 9.9 | 2% | 0.022 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.7 | -52.7 | -177.8 | -81.7 | -78.8 | 0 | 0 | 0 | 113.3 | S34 Q36 N42 A48 V49 E50 A70 Y116 | S34-F46 WeakPolarHBondContact OG-CD1 3.31Å; Q36-F46 HydrophobicContact CB-CD1 4.37Å; Q36-F46 HydrophobicContact CB-CE1 3.36Å; Q36-F46 HydrophobicContact CB-CZ 3.52Å; Q36-F46 HydrophobicContact CG-CE1 4.05Å; Q36-F46 HydrophobicContact CG-CZ 4.39Å; N42-F46 HydrophobicContact CB-CD2 4.05Å; N42-F46 HydrophobicContact CB-CE2 3.93Å; N42-F46 WeakPolarHBondContact O-CD2 3.15Å; F46-A48 PolarHBondContact O-N 2.78Å; F46-V49 PolarHBondContact O-N 3.49Å; F46-E50 WeakPolarHBondContact O-CB 3.28Å; F46-E50 VanDerWaalsContact O-CG 3.27Å; F46-E50 WeakPolarHBondContact O-CG 3.13Å; F46-E50 PolarHBondContact O-N 2.89Å; F46-A70 HydrophobicContact CD1-CB 4.14Å; F46-A70 HydrophobicContact CD2-CB 4.48Å; F46-A70 HydrophobicContact CE1-CB 3.67Å; F46-A70 HydrophobicContact CE2-CB 4.08Å; F46-A70 HydrophobicContact CZ-CB 3.65Å; F46-Y116 HydrophobicContact CE2-CE1 4.47Å; F46-Y116 AromaticContact CE2-CE2 3.85Å; F46-Y116 HydrophobicContact CE2-CE2 3.85Å; F46-Y116 AromaticContact CE2-CZ 3.71Å; F46-Y116 HydrophobicContact CZ-CD1 4.39Å; F46-Y116 HydrophobicContact CZ-CD2 4.01Å; F46-Y116 AromaticContact CZ-CE1 3.97Å; F46-Y116 HydrophobicContact CZ-CE1 3.97Å; F46-Y116 AromaticContact CZ-CE2 3.6Å; F46-Y116 HydrophobicContact CZ-CE2 3.6Å; F46-Y116 HydrophobicContact CZ-CG 4.39Å; F46-Y116 AromaticContact CZ-CZ 3.54Å |
| 47 | G | 88.3 | Confident | 77.7 | Confident | 2 Ų | 2 | 9.8 Ų | 9.8 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -55.3 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K43 S51 | K43-G47 PolarHBondContact O-N 3.15Å; G47-S51 VanDerWaalsContact O-CB 3.27Å; G47-S51 WeakPolarHBondContact O-CB 3.49Å; G47-S51 PolarHBondContact O-N 2.65Å; G47-S51 PolarHBondContact O-OG 3.39Å |
| 48 | A | 94.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.1 | -64.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H44 F46 E50 S51 M52 L73 A92 E186 | H44-A48 WeakPolarHBondContact O-CB 3.47Å; F46-A48 PolarHBondContact O-N 2.78Å; A48-E50 VanDerWaalsContact C-N 3.31Å; A48-E50 PolarHBondContact O-N 3.14Å; A48-S51 PolarHBondContact O-N 3.01Å; A48-S51 VanDerWaalsContact O-N 3.16Å; A48-M52 HydrophobicContact CB-CE 3.79Å; A48-M52 HydrophobicContact CB-SD 4.45Å; A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 WeakPolarHBondContact O-CG 3.41Å; A48-M52 PolarHBondContact O-N 2.89Å; A48-L73 HydrophobicContact CB-CD2 3.96Å; A48-A92 HydrophobicContact CB-CB 3.77Å; A48-E186 WeakPolarHBondContact CB-OE2 3.03Å; A48-E186 PolarHBondContact N-OE1 3.45Å; A48-E186 VanDerWaalsContact N-OE1 3.08Å |
| 49 | V | 94.4 | Very high | 82.7 | Confident | 6 Ų | 6 | 12.8 Ų | 12.8 | 4% | 0.036 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | -172.1 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | A45 F46 M52 S53 L68 A70 L73 I101 | A45-V49 WeakPolarHBondContact O-CG1 3.18Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.16Å; F46-V49 PolarHBondContact O-N 3.49Å; V49-M52 PolarHBondContact O-N 2.91Å; V49-S53 WeakPolarHBondContact O-CB 3.49Å; V49-S53 PolarHBondContact O-N 3.43Å; V49-S53 PolarHBondContact O-OG 2.96Å; V49-L68 HydrophobicContact CB-CB 3.94Å; V49-L68 HydrophobicContact CG1-CB 4.26Å; V49-A70 HydrophobicContact CG2-CB 3.99Å; V49-L73 HydrophobicContact CG1-CB 4.22Å; V49-L73 HydrophobicContact CG1-CD2 3.77Å; V49-I101 HydrophobicContact CG1-CD1 4.18Å; V49-I101 HydrophobicContact CG1-CG2 4.49Å |
| 50 | E | 90.9 | Very high | 85.2 | Confident | 9 Ų | 9 | 11.9 Ų | 11.9 | 4% | 0.042 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 175.1 | -67.5 | 179.7 | -176.3 | 0 | 0 | 111 | S34 F46 A48 M52 S53 D54 R217 | S34-E50 PolarHBondContact OG-OE1 3.47Å; F46-E50 WeakPolarHBondContact O-CB 3.28Å; F46-E50 VanDerWaalsContact O-CG 3.27Å; F46-E50 WeakPolarHBondContact O-CG 3.13Å; F46-E50 PolarHBondContact O-N 2.89Å; A48-E50 VanDerWaalsContact C-N 3.31Å; A48-E50 PolarHBondContact O-N 3.14Å; E50-M52 VanDerWaalsContact C-N 3.3Å; E50-M52 PolarHBondContact O-N 2.89Å; E50-S53 WeakPolarHBondContact O-CB 3Å; E50-S53 PolarHBondContact O-N 3.47Å; E50-D54 PolarHBondContact O-N 2.91Å; E50-R217 VanDerWaalsContact CB-NE 3.32Å; E50-R217 IonicContact OE2-CZ 3.94Å; E50-R217 VanDerWaalsContact OE2-CZ 3.31Å; E50-R217 IonicContact OE2-NE 2.57Å; E50-R217 PolarHBondContact OE2-NE 3.34Å; E50-R217 IonicContact OE2-NH2 3.69Å; E50-R217 PolarHBondContact OE2-NH2 3.34Å |
| 51 | S | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | G47 A48 R55 R217 | G47-S51 VanDerWaalsContact O-CB 3.27Å; G47-S51 WeakPolarHBondContact O-CB 3.49Å; G47-S51 PolarHBondContact O-N 2.65Å; G47-S51 PolarHBondContact O-OG 3.39Å; A48-S51 PolarHBondContact O-N 3.01Å; A48-S51 VanDerWaalsContact O-N 3.16Å; S51-R55 VanDerWaalsContact O-CB 3.3Å; S51-R55 WeakPolarHBondContact O-CB 3.48Å; S51-R55 WeakPolarHBondContact O-CD 3.49Å; S51-R55 WeakPolarHBondContact O-CG 3.22Å; S51-R55 PolarHBondContact O-N 2.66Å; S51-R217 VanDerWaalsContact OG-CD 3.3Å; S51-R217 WeakPolarHBondContact OG-CD 3.33Å; S51-R217 WeakPolarHBondContact OG-CG 3.16Å |
| 52 | M | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 176.5 | -68.5 | 164 | -173.2 | 0 | 0 | 111.6 | A48 V49 E50 R55 I56 L68 W93 W96 I101 | A48-M52 HydrophobicContact CB-CE 3.79Å; A48-M52 HydrophobicContact CB-SD 4.45Å; A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 WeakPolarHBondContact O-CG 3.41Å; A48-M52 PolarHBondContact O-N 2.89Å; V49-M52 PolarHBondContact O-N 2.91Å; E50-M52 VanDerWaalsContact C-N 3.3Å; E50-M52 PolarHBondContact O-N 2.89Å; M52-R55 PolarHBondContact O-N 3.01Å; M52-I56 VanDerWaalsContact O-CG1 3.3Å; M52-I56 WeakPolarHBondContact O-CG1 2.99Å; M52-I56 PolarHBondContact O-N 3.44Å; M52-L68 HydrophobicContact CB-CD1 3.57Å; M52-L68 HydrophobicContact SD-CD1 4.38Å; M52-W93 HydrophobicContact CE-CB 4.24Å; M52-W93 HydrophobicContact CE-CD2 3.57Å; M52-W93 HydrophobicContact CE-CE3 3.75Å; M52-W93 HydrophobicContact CE-CG 3.78Å; M52-W93 HydrophobicContact CE-CZ3 4.34Å; M52-W93 HydrophobicContact CG-CE3 4.07Å; M52-W93 HydrophobicContact CG-CH2 4.01Å; M52-W93 HydrophobicContact CG-CZ3 3.75Å; M52-W96 HydrophobicContact CB-CD2 4.33Å; M52-W96 HydrophobicContact CB-CH2 4.33Å; M52-W96 HydrophobicContact CB-CZ2 4.16Å; M52-W96 HydrophobicContact CE-CB 3.6Å; M52-W96 HydrophobicContact CE-CD2 4.17Å; M52-W96 HydrophobicContact CE-CE3 4.06Å; M52-W96 HydrophobicContact CE-CG 4.03Å; M52-W96 HydrophobicContact CG-CD2 3.73Å; M52-W96 HydrophobicContact CG-CE3 3.68Å; M52-W96 HydrophobicContact CG-CG 4.24Å; M52-W96 HydrophobicContact CG-CH2 4.23Å; M52-W96 HydrophobicContact CG-CZ2 4.31Å; M52-W96 HydrophobicContact CG-CZ3 3.94Å; M52-W96 HydrophobicContact SD-CB 3.7Å; M52-W96 HydrophobicContact SD-CD2 3.75Å; M52-W96 HydrophobicContact SD-CE3 4.09Å; M52-W96 HydrophobicContact SD-CG 3.6Å; M52-W96 VanDerWaalsContact SD-CG 3.6Å; M52-I101 HydrophobicContact SD-CD1 3.75Å |
| 53 | S | 93.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 173.9 | -87.7 | 0 | 0 | 0 | 0 | 111.9 | V49 E50 R55 I56 C57 V66 E67 L68 | V49-S53 WeakPolarHBondContact O-CB 3.49Å; V49-S53 PolarHBondContact O-N 3.43Å; V49-S53 PolarHBondContact O-OG 2.96Å; E50-S53 WeakPolarHBondContact O-CB 3Å; E50-S53 PolarHBondContact O-N 3.47Å; S53-R55 VanDerWaalsContact C-N 3.29Å; S53-R55 PolarHBondContact O-N 2.72Å; S53-I56 PolarHBondContact O-N 2.76Å; S53-C57 PolarHBondContact O-N 2.8Å; S53-C57 VanDerWaalsContact O-N 3.17Å; S53-V66 WeakPolarHBondContact CB-O 3.28Å; S53-V66 PolarHBondContact OG-O 2.84Å; S53-E67 WeakPolarHBondContact OG-CA 2.82Å; S53-L68 PolarHBondContact OG-N 3.22Å |
| 54 | D | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.3 | -47 | 176.3 | -66.4 | -19.3 | 0 | 0 | 0 | 111 | V15 L33 E50 C57 I58 P184 R217 | V15-D54 HydrophobicContact CG1-CB 4.47Å; V15-D54 WeakPolarHBondContact CG1-OD1 3.38Å; V15-D54 HydrophobicContact CG2-CB 4.01Å; L33-D54 VanDerWaalsContact CD1-OD1 3.28Å; L33-D54 WeakPolarHBondContact CD1-OD1 3.4Å; E50-D54 PolarHBondContact O-N 2.91Å; D54-C57 PolarHBondContact O-N 3.49Å; D54-I58 VanDerWaalsContact O-CG1 3.27Å; D54-I58 WeakPolarHBondContact O-CG1 3.37Å; D54-I58 PolarHBondContact O-N 3.48Å; D54-P184 HydrophobicContact CB-CG 4.05Å; D54-P184 VanDerWaalsContact OD2-CG 3.29Å; D54-P184 WeakPolarHBondContact OD2-CG 3.08Å; D54-R217 IonicContact OD1-NH1 3.29Å; D54-R217 WeakPolarHBondContact OD2-CD 3.22Å; D54-R217 IonicContact OD2-CZ 3.99Å; D54-R217 IonicContact OD2-NE 2.88Å; D54-R217 IonicContact OD2-NH1 2.72Å; D54-R217 PolarHBondContact OD2-NH1 3.48Å |
| 55 | R | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | -178 | -74.3 | 176.4 | 174.5 | -108.5 | -12.9 | 112.7 | S51 M52 S53 C57 I58 H59 Y166 E178 N182 G183 P184 V185 G265 | S51-R55 VanDerWaalsContact O-CB 3.3Å; S51-R55 WeakPolarHBondContact O-CB 3.48Å; S51-R55 WeakPolarHBondContact O-CD 3.49Å; S51-R55 WeakPolarHBondContact O-CG 3.22Å; S51-R55 PolarHBondContact O-N 2.66Å; M52-R55 PolarHBondContact O-N 3.01Å; S53-R55 VanDerWaalsContact C-N 3.29Å; S53-R55 PolarHBondContact O-N 2.72Å; R55-C57 PolarHBondContact O-N 2.92Å; R55-I58 PolarHBondContact O-N 2.03Å; R55-H59 WeakPolarHBondContact O-CB 3.5Å; R55-H59 PolarHBondContact O-CD2 3.49Å; R55-H59 PolarHBondContact O-N 3.44Å; R55-Y166 PolarHBondContact NH1-OH 3.27Å; R55-E178 IonicContact CZ-OE1 3.83Å; R55-E178 VanDerWaalsContact CZ-OE1 3.29Å; R55-E178 IonicContact NH1-OE1 3.03Å; R55-E178 PolarHBondContact NH1-OE1 3.26Å; R55-E178 IonicContact NH2-OE1 3.12Å; R55-E178 PolarHBondContact NH2-OE1 3.21Å; R55-N182 WeakPolarHBondContact CG-O 3.37Å; R55-G183 PolarHBondContact NH2-O 3.06Å; R55-P184 VanDerWaalsContact CZ-O 3.29Å; R55-P184 PolarHBondContact NE-O 2.88Å; R55-P184 PolarHBondContact NH2-O 3.36Å; R55-V185 VanDerWaalsContact NH2-CG1 3.29Å; R55-G265 VanDerWaalsContact CD-O 3.3Å; R55-G265 WeakPolarHBondContact CD-O 3.41Å; R55-G265 PolarHBondContact NH1-O 2.96Å |
| 56 | I | 93.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | 173 | -71.6 | 164.6 | 0 | 0 | 0 | 109.6 | M52 S53 S60 I64 V66 L68 W96 F160 P267 L269 | M52-I56 VanDerWaalsContact O-CG1 3.3Å; M52-I56 WeakPolarHBondContact O-CG1 2.99Å; M52-I56 PolarHBondContact O-N 3.44Å; S53-I56 PolarHBondContact O-N 2.76Å; I56-S60 WeakPolarHBondContact O-CB 3.47Å; I56-S60 PolarHBondContact O-N 3.31Å; I56-S60 PolarHBondContact O-OG 2.99Å; I56-I64 HydrophobicContact CG2-CB 3.92Å; I56-I64 HydrophobicContact CG2-CG2 3.48Å; I56-I64 VanDerWaalsContact CG2-CG2 3.48Å; I56-V66 HydrophobicContact CB-CG2 4.41Å; I56-V66 HydrophobicContact CD1-CG2 3.91Å; I56-V66 HydrophobicContact CG2-CG2 3.98Å; I56-L68 HydrophobicContact CD1-CD1 3.89Å; I56-L68 HydrophobicContact CD1-CD2 4.16Å; I56-L68 HydrophobicContact CD1-CG 4.21Å; I56-W96 HydrophobicContact CD1-CZ2 4.21Å; I56-W96 HydrophobicContact CG1-CZ2 4.09Å; I56-F160 HydrophobicContact CD1-CB 4.01Å; I56-F160 HydrophobicContact CD1-CD1 4.09Å; I56-F160 HydrophobicContact CD1-CG 4.24Å; I56-P267 HydrophobicContact CG1-CB 3.75Å; I56-L269 HydrophobicContact CG2-CD2 4.48Å |
| 57 | C | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -48.4 | -179.5 | -164.5 | 0 | 0 | 0 | 0 | 113.3 | C20 S53 D54 R55 S60 K61 N62 I64 | C20-C57 HydrophobicContact CB-CB 3.52Å; C20-C57 WeakPolarHBondContact CB-SG 3.37Å; C20-C57 WeakPolarHBondContact SG-CB 3.16Å; C20-C57 CovalentContact SG-SG 2Å; C20-C57 PolarHBondContact SG-SG 3.45Å; S53-C57 PolarHBondContact O-N 2.8Å; S53-C57 VanDerWaalsContact O-N 3.17Å; D54-C57 PolarHBondContact O-N 3.49Å; R55-C57 PolarHBondContact O-N 2.92Å; C57-S60 PolarHBondContact O-N 3.23Å; C57-S60 PolarHBondContact O-OG 3.11Å; C57-K61 PolarHBondContact O-N 3.35Å; C57-N62 PolarHBondContact O-N 2.89Å; C57-N62 VanDerWaalsContact O-N 3.08Å; C57-I64 WeakPolarHBondContact CA-O 3.39Å; C57-I64 WeakPolarHBondContact CB-O 3.34Å |
| 58 | I | 89.3 | Confident | 92.3 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.7 | -52.5 | 178.4 | -69.8 | 165.3 | 0 | 0 | 0 | 111 | V15 C20 L22 D54 R55 S60 K61 | V15-I58 HydrophobicContact CG2-CD1 4.22Å; C20-I58 HydrophobicContact CB-CG1 4.19Å; L22-I58 HydrophobicContact CD1-CG2 4.38Å; L22-I58 HydrophobicContact CD2-CD1 4.25Å; L22-I58 HydrophobicContact CD2-CG2 4.05Å; L22-I58 HydrophobicContact CG-CG2 4.14Å; D54-I58 VanDerWaalsContact O-CG1 3.27Å; D54-I58 WeakPolarHBondContact O-CG1 3.37Å; D54-I58 PolarHBondContact O-N 3.48Å; R55-I58 PolarHBondContact O-N 2.03Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3.34Å; I58-K61 PolarHBondContact O-N 3.17Å; I58-K61 VanDerWaalsContact O-N 3.1Å |
| 59 | H | 93.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -73.4 | -25.2 | -175.2 | -73.7 | -91.5 | 0 | 0 | 0 | 112.5 | R55 K61 N182 L266 P267 L269 | R55-H59 WeakPolarHBondContact O-CB 3.5Å; R55-H59 PolarHBondContact O-CD2 3.49Å; R55-H59 PolarHBondContact O-N 3.44Å; H59-K61 PolarHBondContact O-N 2.82Å; H59-N182 PolarHBondContact CE1-OD1 3.45Å; H59-N182 PolarHBondContact NE2-O 2.9Å; H59-L266 VanDerWaalsContact CE1-CD2 3.45Å; H59-L266 WeakPolarHBondContact CE1-CD2 3.21Å; H59-P267 HydrophobicContact CB-CG 3.59Å; H59-L269 VanDerWaalsContact C-CD1 3.46Å; H59-L269 HydrophobicContact CB-CD1 4Å; H59-L269 VanDerWaalsContact O-CD1 3.3Å; H59-L269 WeakPolarHBondContact O-CD1 2.86Å |
| 60 | S | 91.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.6 | 172.5 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | I56 C57 I58 K63 I64 | I56-S60 WeakPolarHBondContact O-CB 3.47Å; I56-S60 PolarHBondContact O-N 3.31Å; I56-S60 PolarHBondContact O-OG 2.99Å; C57-S60 PolarHBondContact O-N 3.23Å; C57-S60 PolarHBondContact O-OG 3.11Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3.34Å; S60-K63 VanDerWaalsContact O-CB 3.3Å; S60-K63 WeakPolarHBondContact O-CB 3.01Å; S60-K63 WeakPolarHBondContact O-CD 3.47Å; S60-K63 WeakPolarHBondContact O-CG 3.43Å; S60-K63 PolarHBondContact O-N 3.4Å; S60-K63 PolarHBondContact OG-N 3.06Å; S60-I64 PolarHBondContact OG-N 3.31Å; S60-I64 PolarHBondContact OG-O 2.9Å |
| 61 | K | 89.8 | Confident | 92.4 | Very high | 177 Ų | 177 | 34.8 Ų | 34.8 | 77% | 0.77 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 53 | -173.9 | -52.5 | -176.9 | 179.7 | -177 | 0 | 111.4 | C57 I58 H59 K63 | C57-K61 PolarHBondContact O-N 3.35Å; I58-K61 PolarHBondContact O-N 3.17Å; I58-K61 VanDerWaalsContact O-N 3.1Å; H59-K61 PolarHBondContact O-N 2.82Å; K61-K63 PolarHBondContact O-N 3.41Å |
| 62 | N | 86.4 | Confident | 92.5 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 63.7 | 13.6 | -178.2 | -56.4 | -16.6 | 0 | 0 | 0 | 115.1 | C20 H21 C57 | C20-N62 VanDerWaalsContact C-OD1 3.32Å; C20-N62 VanDerWaalsContact CA-OD1 3.3Å; C20-N62 WeakPolarHBondContact CA-OD1 3.37Å; C20-N62 WeakPolarHBondContact CB-OD1 3.14Å; C20-N62 PolarHBondContact N-OD1 3.15Å; C20-N62 PolarHBondContact O-OD1 3.48Å; H21-N62 PolarHBondContact CE1-ND2 3.17Å; H21-N62 PolarHBondContact NE2-ND2 2.85Å; C57-N62 PolarHBondContact O-N 2.89Å; C57-N62 VanDerWaalsContact O-N 3.08Å |
| 63 | K | 89.8 | Confident | 92.5 | Very high | 181 Ų | 181 | 34.9 Ų | 34.9 | 79% | 0.787 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -80.3 | -25.1 | 178.8 | -67.9 | 179.5 | -178.9 | -176 | 0 | 113.2 | S60 K61 | S60-K63 VanDerWaalsContact O-CB 3.3Å; S60-K63 WeakPolarHBondContact O-CB 3.01Å; S60-K63 WeakPolarHBondContact O-CD 3.47Å; S60-K63 WeakPolarHBondContact O-CG 3.43Å; S60-K63 PolarHBondContact O-N 3.4Å; S60-K63 PolarHBondContact OG-N 3.06Å; K61-K63 PolarHBondContact O-N 3.41Å |
| 64 | I | 91.4 | Very high | 92.4 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | trans | -133.4 | 108.8 | -177.3 | -56 | 177.7 | 0 | 0 | 0 | 107.5 | I56 C57 S60 V66 F160 L269 | I56-I64 HydrophobicContact CG2-CB 3.92Å; I56-I64 HydrophobicContact CG2-CG2 3.48Å; I56-I64 VanDerWaalsContact CG2-CG2 3.48Å; C57-I64 WeakPolarHBondContact CA-O 3.39Å; C57-I64 WeakPolarHBondContact CB-O 3.34Å; S60-I64 PolarHBondContact OG-N 3.31Å; S60-I64 PolarHBondContact OG-O 2.9Å; I64-V66 HydrophobicContact CG2-CG1 3.97Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; I64-F160 HydrophobicContact CG2-CE1 3.85Å; I64-F160 HydrophobicContact CG2-CZ 4.45Å; I64-L269 HydrophobicContact CD1-CD2 4.37Å | ||
| 65 | S | 90.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 35.6 Ų | 35.6 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | trans | -112.8 | 120.2 | 170.1 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 66 | V | 92.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | trans | -145.9 | 147.8 | -176 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | S53 I56 I64 L68 T103 F160 | S53-V66 WeakPolarHBondContact CB-O 3.28Å; S53-V66 PolarHBondContact OG-O 2.84Å; I56-V66 HydrophobicContact CB-CG2 4.41Å; I56-V66 HydrophobicContact CD1-CG2 3.91Å; I56-V66 HydrophobicContact CG2-CG2 3.98Å; I64-V66 HydrophobicContact CG2-CG1 3.97Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; V66-L68 HydrophobicContact CG2-CD2 4.17Å; V66-T103 HydrophobicContact CB-CG2 4.17Å; V66-T103 HydrophobicContact CG1-CG2 4.27Å; V66-F160 HydrophobicContact CG1-CE1 4.21Å; V66-F160 HydrophobicContact CG1-CE2 4.11Å; V66-F160 HydrophobicContact CG1-CZ 3.67Å; V66-F160 HydrophobicContact CG2-CD1 4.48Å; V66-F160 HydrophobicContact CG2-CE1 4.32Å; V66-F160 HydrophobicContact CG2-CZ 4.37Å | ||
| 67 | E | 93.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | trans | -101.2 | 116.1 | 169.1 | -165.1 | 179.1 | 172.5 | 0 | 0 | 108.8 | L33 S53 T103 G104 G105 | L33-E67 VanDerWaalsContact O-OE1 3.13Å; S53-E67 WeakPolarHBondContact OG-CA 2.82Å; E67-T103 CarbonylContact O-C 3.57Å; E67-T103 WeakPolarHBondContact O-CA 3.48Å; E67-T103 WeakPolarHBondContact O-CB 3.21Å; E67-G104 PolarHBondContact O-N 3.4Å; E67-G105 VanDerWaalsContact OE1-CA 3.24Å; E67-G105 WeakPolarHBondContact OE1-CA 3.14Å; E67-G105 WeakPolarHBondContact OE2-CA 3.47Å | ||
| 68 | L | 95.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 138.5 | 179.7 | -66 | -171.3 | 0 | 0 | 0 | 111.1 | V49 M52 S53 I56 V66 A70 I101 F160 | V49-L68 HydrophobicContact CB-CB 3.94Å; V49-L68 HydrophobicContact CG1-CB 4.26Å; M52-L68 HydrophobicContact CB-CD1 3.57Å; M52-L68 HydrophobicContact SD-CD1 4.38Å; S53-L68 PolarHBondContact OG-N 3.22Å; I56-L68 HydrophobicContact CD1-CD1 3.89Å; I56-L68 HydrophobicContact CD1-CD2 4.16Å; I56-L68 HydrophobicContact CD1-CG 4.21Å; V66-L68 HydrophobicContact CG2-CD2 4.17Å; L68-A70 PolarHBondContact O-N 2.53Å; L68-A70 VanDerWaalsContact O-N 3.17Å; L68-I101 HydrophobicContact CB-CG2 4.05Å; L68-I101 HydrophobicContact CD1-CB 4.43Å; L68-F160 HydrophobicContact CD2-CB 3.88Å; L68-F160 HydrophobicContact CD2-CD2 4Å; L68-F160 HydrophobicContact CD2-CG 4.11Å |
| 69 | S | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -69.9 | 110.4 | -173.7 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | I71 N72 L73 V102 Q114 | S69-I71 PolarHBondContact O-N 3.39Å; S69-I71 WeakPolarHBondContact OG-CG2 3.16Å; S69-I71 PolarHBondContact OG-N 2.71Å; S69-N72 PolarHBondContact O-N 3.18Å; S69-N72 WeakPolarHBondContact OG-CB 3.45Å; S69-N72 PolarHBondContact OG-N 3.35Å; S69-L73 PolarHBondContact O-N 3.09Å; S69-V102 WeakPolarHBondContact CB-O 3.04Å; S69-V102 PolarHBondContact N-O 3.25Å; S69-Q114 WeakPolarHBondContact CB-O 3.27Å; S69-Q114 WeakPolarHBondContact OG-CB 3.47Å; S69-Q114 PolarHBondContact OG-O 3.35Å | ||
| 70 | A | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -39.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F46 V49 L68 L73 L74 Y116 | F46-A70 HydrophobicContact CD1-CB 4.14Å; F46-A70 HydrophobicContact CD2-CB 4.48Å; F46-A70 HydrophobicContact CE1-CB 3.67Å; F46-A70 HydrophobicContact CE2-CB 4.08Å; F46-A70 HydrophobicContact CZ-CB 3.65Å; V49-A70 HydrophobicContact CG2-CB 3.99Å; L68-A70 PolarHBondContact O-N 2.53Å; L68-A70 VanDerWaalsContact O-N 3.17Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 PolarHBondContact O-N 3.48Å; A70-Y116 HydrophobicContact CB-CD2 4.18Å; A70-Y116 HydrophobicContact CB-CE2 4.37Å |
| 71 | I | 93.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.6 | -34.9 | -178.7 | -172.8 | 58.8 | 0 | 0 | 0 | 112.5 | S69 L74 S75 Q114 Y116 P117 P141 | S69-I71 PolarHBondContact O-N 3.39Å; S69-I71 WeakPolarHBondContact OG-CG2 3.16Å; S69-I71 PolarHBondContact OG-N 2.71Å; I71-L74 HydrophobicContact CD1-CD2 4.14Å; I71-L74 PolarHBondContact O-N 3.49Å; I71-S75 VanDerWaalsContact O-CB 3.28Å; I71-S75 WeakPolarHBondContact O-CB 3.46Å; I71-S75 PolarHBondContact O-N 3.18Å; I71-S75 PolarHBondContact O-OG 3.38Å; I71-Q114 HydrophobicContact CG2-CB 4.04Å; I71-Q114 VanDerWaalsContact CG2-O 3.31Å; I71-Q114 WeakPolarHBondContact CG2-O 3.49Å; I71-Y116 HydrophobicContact CB-CD2 3.99Å; I71-P117 HydrophobicContact CD1-CG 4.12Å; I71-P117 HydrophobicContact CG1-CG 4.08Å; I71-P141 HydrophobicContact CD1-CB 3.96Å; I71-P141 HydrophobicContact CD1-CG 3.56Å |
| 72 | N | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 174.7 | -177.3 | -110.9 | 0 | 0 | 0 | 110.9 | S69 C76 I101 V102 Q114 Y155 | S69-N72 PolarHBondContact O-N 3.18Å; S69-N72 WeakPolarHBondContact OG-CB 3.45Å; S69-N72 PolarHBondContact OG-N 3.35Å; N72-C76 WeakPolarHBondContact O-CB 3.42Å; N72-C76 PolarHBondContact O-N 2.86Å; N72-I101 HydrophobicContact CB-CG2 4.26Å; N72-V102 HydrophobicContact CB-CG2 3.81Å; N72-Q114 VanDerWaalsContact CB-OE1 3.25Å; N72-Q114 PolarHBondContact ND2-OE1 2.87Å; N72-Y155 PolarHBondContact ND2-OH 3.03Å |
| 73 | L | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 176.6 | 174 | 61 | 0 | 0 | 0 | 111.4 | A45 A48 V49 S69 A70 S75 C77 A92 Y95 I101 | A45-L73 HydrophobicContact CB-CD2 3.92Å; A45-L73 HydrophobicContact CB-CG 4.25Å; A48-L73 HydrophobicContact CB-CD2 3.96Å; V49-L73 HydrophobicContact CG1-CB 4.22Å; V49-L73 HydrophobicContact CG1-CD2 3.77Å; S69-L73 PolarHBondContact O-N 3.09Å; A70-L73 PolarHBondContact O-N 3.4Å; L73-S75 PolarHBondContact O-N 3.36Å; L73-C77 HydrophobicContact CD1-CB 3.95Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.29Å; L73-A92 HydrophobicContact CD1-CB 3.99Å; L73-A92 HydrophobicContact CD2-CB 3.77Å; L73-A92 HydrophobicContact CG-CB 4.38Å; L73-Y95 HydrophobicContact CD1-CD1 3.6Å; L73-Y95 HydrophobicContact CD1-CE1 4.36Å; L73-Y95 HydrophobicContact CD1-CG 4.03Å; L73-I101 HydrophobicContact CB-CD1 4.11Å; L73-I101 HydrophobicContact CD1-CD1 4.16Å; L73-I101 HydrophobicContact CD2-CD1 4.26Å; L73-I101 HydrophobicContact CG-CD1 4.4Å |
| 74 | L | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | -174.7 | -174.4 | 73.6 | 0 | 0 | 0 | 113.4 | N42 A45 A70 I71 | N42-L74 HydrophobicContact CB-CD1 4.25Å; N42-L74 HydrophobicContact CB-CD2 4.33Å; N42-L74 WeakPolarHBondContact OD1-CD1 3.3Å; N42-L74 WeakPolarHBondContact OD1-CD2 3.11Å; A45-L74 HydrophobicContact CB-CB 4.21Å; A45-L74 HydrophobicContact CB-CD1 4.14Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 PolarHBondContact O-N 3.48Å; I71-L74 HydrophobicContact CD1-CD2 4.14Å; I71-L74 PolarHBondContact O-N 3.49Å |
| 75 | S | 93.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -85.3 | -35.6 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | I71 L73 P141 C143 | I71-S75 VanDerWaalsContact O-CB 3.28Å; I71-S75 WeakPolarHBondContact O-CB 3.46Å; I71-S75 PolarHBondContact O-N 3.18Å; I71-S75 PolarHBondContact O-OG 3.38Å; L73-S75 PolarHBondContact O-N 3.36Å; S75-P141 WeakPolarHBondContact CB-O 3.16Å; S75-C143 WeakPolarHBondContact O-CB 3.29Å |
| 76 | C | 96.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -96.6 | -22.5 | -172.4 | -60.5 | 0 | 0 | 0 | 0 | 114.5 | N72 T78 Y95 C143 | N72-C76 WeakPolarHBondContact O-CB 3.42Å; N72-C76 PolarHBondContact O-N 2.86Å; C76-T78 PolarHBondContact O-N 3.47Å; C76-Y95 WeakPolarHBondContact CB-OH 3.39Å; C76-C143 VanDerWaalsContact CA-SG 3.51Å; C76-C143 HydrophobicContact CB-CB 3.92Å; C76-C143 WeakPolarHBondContact CB-SG 3.02Å; C76-C143 WeakPolarHBondContact SG-CB 3.31Å; C76-C143 CovalentContact SG-SG 2.04Å; C76-C143 PolarHBondContact SG-SG 3.29Å |
| 77 | C | 96.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -81.3 | 81.5 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | L73 R79 C80 Y95 | L73-C77 HydrophobicContact CD1-CB 3.95Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.29Å; C77-R79 PolarHBondContact O-N 3.45Å; C77-R79 VanDerWaalsContact O-N 3.13Å; C77-C80 HydrophobicContact CB-CB 3.66Å; C77-C80 WeakPolarHBondContact CB-SG 3.32Å; C77-C80 WeakPolarHBondContact O-CB 3.07Å; C77-C80 PolarHBondContact O-N 2.82Å; C77-C80 WeakPolarHBondContact SG-CB 3.27Å; C77-C80 PolarHBondContact SG-N 2.8Å; C77-C80 CovalentContact SG-SG 2.02Å; C77-C80 PolarHBondContact SG-SG 3.39Å; C77-Y95 HydrophobicContact CB-CD1 4.3Å; C77-Y95 HydrophobicContact CB-CD2 3.54Å; C77-Y95 HydrophobicContact CB-CE2 3.95Å; C77-Y95 HydrophobicContact CB-CG 3.74Å | ||
| 78 | T | 92.8 | Very high | 91.1 | Very high | 123 Ų | 123 | 44.2 Ų | 44.2 | 76% | 0.755 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.9 | 179 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | C76 | C76-T78 PolarHBondContact O-N 3.47Š|
| 79 | R | 92.5 | Very high | 90.9 | Very high | 206 Ų | 206 | 45 Ų | 45 | 78% | 0.777 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -12.4 | 175.5 | -64.1 | -174.4 | 179.3 | -175.6 | 1.5 | 113.9 | C77 G81 | C77-R79 PolarHBondContact O-N 3.45Å; C77-R79 VanDerWaalsContact O-N 3.13Å; R79-G81 VanDerWaalsContact C-N 3.27Å; R79-G81 PolarHBondContact O-N 2.77Å |
| 80 | C | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.7 | -179.3 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | C77 G87 I88 M91 A92 | C77-C80 HydrophobicContact CB-CB 3.66Å; C77-C80 WeakPolarHBondContact CB-SG 3.32Å; C77-C80 WeakPolarHBondContact O-CB 3.07Å; C77-C80 PolarHBondContact O-N 2.82Å; C77-C80 WeakPolarHBondContact SG-CB 3.27Å; C77-C80 PolarHBondContact SG-N 2.8Å; C77-C80 CovalentContact SG-SG 2.02Å; C77-C80 PolarHBondContact SG-SG 3.39Å; C80-G87 CarbonylContact O-C 3.5Å; C80-G87 WeakPolarHBondContact O-CA 3.3Å; C80-I88 PolarHBondContact O-N 2.89Å; C80-M91 HydrophobicContact CB-CB 4.29Å; C80-M91 PolarHBondContact SG-O 2.71Å; C80-A92 VanDerWaalsContact SG-CA 3.58Å; C80-A92 PolarHBondContact SG-N 2.88Å |
| 81 | G | 88.5 | Confident | 90.9 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | 142.5 | -134.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R79 | R79-G81 VanDerWaalsContact C-N 3.27Å; R79-G81 PolarHBondContact O-N 2.77Å |
| 82 | F | 88.5 | Confident | 91.1 | Very high | 163 Ų | 163 | 48.6 Ų | 48.6 | 72% | 0.715 | 26% | 0.256 | S | S | * | . | trans | -112.9 | 29 | -172.3 | -61.1 | -77.6 | 0 | 0 | 0 | 112.2 | C84 R85 G86 T140 | F82-C84 PolarHBondContact O-N 2.89Å; F82-C84 VanDerWaalsContact O-N 3.13Å; F82-R85 HydrophobicContact CB-CB 3.78Å; F82-R85 PolarHBondContact O-N 3.16Å; F82-G86 PolarHBondContact N-O 3.43Å; F82-T140 PolarHBondContact O-OG1 3.43Å | ||
| 83 | G | 86 | Confident | 91.2 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 54.2 | -115.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R85 G86 | G83-R85 PolarHBondContact O-N 2.96Å; G83-G86 PolarHBondContact O-N 3.04Å; G83-G86 VanDerWaalsContact O-N 3.16Å |
| 84 | C | 84 | Confident | 91.3 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 32.4 | 169.9 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | I41 N42 F82 F138 T140 | I41-C84 HydrophobicContact CG2-CB 3.6Å; I41-C84 WeakPolarHBondContact CG2-O 3.12Å; N42-C84 PolarHBondContact ND2-SG 2.83Å; N42-C84 WeakPolarHBondContact OD1-CA 3.47Å; N42-C84 PolarHBondContact OD1-SG 3.33Å; F82-C84 PolarHBondContact O-N 2.89Å; F82-C84 VanDerWaalsContact O-N 3.13Å; C84-F138 WeakPolarHBondContact CB-O 3.34Å; C84-T140 WeakPolarHBondContact CB-OG1 3.36Å; C84-T140 PolarHBondContact N-OG1 3.31Å |
| 85 | R | 81 | Confident | 91.5 | Very high | 179 Ų | 179 | 52.3 Ų | 52.3 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.9 | 14 | 163.7 | -62.4 | -177.6 | 174.7 | -177.3 | -2.3 | 112.7 | F82 G83 Y137 | F82-R85 HydrophobicContact CB-CB 3.78Å; F82-R85 PolarHBondContact O-N 3.16Å; G83-R85 PolarHBondContact O-N 2.96Å; R85-Y137 PolarHBondContact NE-OH 3.42Å; R85-Y137 PolarHBondContact NH2-OH 2.79Å |
| 86 | G | 81.9 | Confident | 91.7 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | trans | 107.3 | 163.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I41 F82 G83 | I41-G86 PolarHBondContact O-N 3.03Å; F82-G86 PolarHBondContact N-O 3.43Å; G83-G86 PolarHBondContact O-N 3.04Å; G83-G86 VanDerWaalsContact O-N 3.16Å | ||
| 87 | G | 87.1 | Confident | 91.8 | Very high | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -166.7 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H44 C80 | H44-G87 WeakPolarHBondContact ND1-CA 3.48Å; H44-G87 PolarHBondContact ND1-N 3.17Å; C80-G87 CarbonylContact O-C 3.5Å; C80-G87 WeakPolarHBondContact O-CA 3.3Å |
| 88 | I | 90.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 60.5 Ų | 60.5 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | trans | -111 | 113.5 | -170.7 | -58 | 172.7 | 0 | 0 | 0 | 107.8 | C80 G90 M91 A92 | C80-I88 PolarHBondContact O-N 2.89Å; I88-G90 VanDerWaalsContact C-N 3.33Å; I88-G90 PolarHBondContact O-N 2.83Å; I88-M91 HydrophobicContact CB-CB 4.33Å; I88-M91 HydrophobicContact CB-CG 4.04Å; I88-M91 HydrophobicContact CG2-CG 4.1Å; I88-M91 PolarHBondContact O-N 2.95Å; I88-A92 PolarHBondContact O-N 2.86Å | ||
| 89 | P | 90.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -47.5 | -49.9 | 178.1 | -34.3 | 39.3 | 0 | 0 | 0 | 113.6 | H44 M91 A92 W93 E186 A215 | H44-P89 HydrophobicContact CB-CG 4.21Å; P89-M91 VanDerWaalsContact C-N 3.25Å; P89-M91 PolarHBondContact O-N 3.12Å; P89-M91 VanDerWaalsContact O-N 3.11Å; P89-A92 VanDerWaalsContact O-CB 3.3Å; P89-A92 WeakPolarHBondContact O-CB 3.45Å; P89-A92 PolarHBondContact O-N 2.99Å; P89-W93 VanDerWaalsContact O-CD1 3.31Å; P89-W93 PolarHBondContact O-N 3.4Å; P89-E186 HydrophobicContact CB-CG 4.3Å; P89-E186 WeakPolarHBondContact CB-OE2 3.35Å; P89-A215 HydrophobicContact CG-CB 4.23Å |
| 90 | G | 93.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -46.6 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I88 A92 W93 D94 | I88-G90 VanDerWaalsContact C-N 3.33Å; I88-G90 PolarHBondContact O-N 2.83Å; G90-A92 VanDerWaalsContact C-N 3.32Å; G90-A92 PolarHBondContact O-N 3.48Å; G90-W93 PolarHBondContact O-N 2.93Å; G90-D94 PolarHBondContact O-N 2.89Å; G90-D94 VanDerWaalsContact O-N 3.17Å |
| 91 | M | 95.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 37% | 0.365 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.2 | -27.6 | -178.2 | -67.2 | -65.2 | -161.2 | 0 | 0 | 112.7 | C80 I88 P89 D94 Y95 | C80-M91 HydrophobicContact CB-CB 4.29Å; C80-M91 PolarHBondContact SG-O 2.71Å; I88-M91 HydrophobicContact CB-CB 4.33Å; I88-M91 HydrophobicContact CB-CG 4.04Å; I88-M91 HydrophobicContact CG2-CG 4.1Å; I88-M91 PolarHBondContact O-N 2.95Å; P89-M91 VanDerWaalsContact C-N 3.25Å; P89-M91 PolarHBondContact O-N 3.12Å; P89-M91 VanDerWaalsContact O-N 3.11Å; M91-D94 PolarHBondContact O-N 3.45Å; M91-Y95 WeakPolarHBondContact O-CB 3.47Å; M91-Y95 PolarHBondContact O-N 3Å |
| 92 | A | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A48 L73 C80 I88 P89 G90 Y95 W96 | A48-A92 HydrophobicContact CB-CB 3.77Å; L73-A92 HydrophobicContact CD1-CB 3.99Å; L73-A92 HydrophobicContact CD2-CB 3.77Å; L73-A92 HydrophobicContact CG-CB 4.38Å; C80-A92 VanDerWaalsContact SG-CA 3.58Å; C80-A92 PolarHBondContact SG-N 2.88Å; I88-A92 PolarHBondContact O-N 2.86Å; P89-A92 VanDerWaalsContact O-CB 3.3Å; P89-A92 WeakPolarHBondContact O-CB 3.45Å; P89-A92 PolarHBondContact O-N 2.99Å; G90-A92 VanDerWaalsContact C-N 3.32Å; G90-A92 PolarHBondContact O-N 3.48Å; A92-Y95 PolarHBondContact O-N 2.94Å; A92-W96 PolarHBondContact O-N 3.5Å |
| 93 | W | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 174.9 | -67.9 | 82.8 | 0 | 0 | 0 | 112.3 | M52 P89 G90 W96 K97 E186 T263 | M52-W93 HydrophobicContact CE-CB 4.24Å; M52-W93 HydrophobicContact CE-CD2 3.57Å; M52-W93 HydrophobicContact CE-CE3 3.75Å; M52-W93 HydrophobicContact CE-CG 3.78Å; M52-W93 HydrophobicContact CE-CZ3 4.34Å; M52-W93 HydrophobicContact CG-CE3 4.07Å; M52-W93 HydrophobicContact CG-CH2 4.01Å; M52-W93 HydrophobicContact CG-CZ3 3.75Å; P89-W93 VanDerWaalsContact O-CD1 3.31Å; P89-W93 PolarHBondContact O-N 3.4Å; G90-W93 PolarHBondContact O-N 2.93Å; W93-W96 AromaticContact CE3-CE3 3.79Å; W93-W96 HydrophobicContact CE3-CE3 3.79Å; W93-W96 AromaticContact CE3-CZ3 3.82Å; W93-W96 HydrophobicContact CE3-CZ3 3.82Å; W93-W96 HydrophobicContact CZ3-CE3 4.09Å; W93-W96 AromaticContact CZ3-CZ3 3.7Å; W93-W96 HydrophobicContact CZ3-CZ3 3.7Å; W93-W96 PolarHBondContact O-N 2.73Å; W93-K97 PolarHBondContact O-N 2.55Å; W93-E186 HydrophobicContact CZ2-CB 4.03Å; W93-E186 PolarHBondContact NE1-OE2 3.3Å; W93-T263 HydrophobicContact CB-CG2 4.06Å; W93-T263 HydrophobicContact CD2-CG2 4.37Å; W93-T263 HydrophobicContact CG-CG2 3.65Å |
| 94 | D | 97.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 172 | -77.1 | -16.6 | 0 | 0 | 0 | 111.8 | G90 M91 W96 K97 Y98 S165 | G90-D94 PolarHBondContact O-N 2.89Å; G90-D94 VanDerWaalsContact O-N 3.17Å; M91-D94 PolarHBondContact O-N 3.45Å; D94-W96 PolarHBondContact O-N 3.15Å; D94-K97 WeakPolarHBondContact O-CB 3.3Å; D94-K97 PolarHBondContact O-N 3.35Å; D94-K97 VanDerWaalsContact O-N 3.15Å; D94-Y98 HydrophobicContact CB-CD2 4.32Å; D94-Y98 HydrophobicContact CB-CE2 4.3Å; D94-Y98 WeakPolarHBondContact O-CD2 3.49Å; D94-Y98 PolarHBondContact O-N 3.18Å; D94-S165 VanDerWaalsContact OD1-CB 3.28Å; D94-S165 WeakPolarHBondContact OD1-CB 3.42Å; D94-S165 PolarHBondContact OD1-OG 3.31Å |
| 95 | Y | 98 | Very high | 94.1 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.7 | -177.3 | -91.4 | 0 | 0 | 0 | 111.6 | L73 C76 C77 M91 A92 K97 Y98 E99 G100 I101 | L73-Y95 HydrophobicContact CD1-CD1 3.6Å; L73-Y95 HydrophobicContact CD1-CE1 4.36Å; L73-Y95 HydrophobicContact CD1-CG 4.03Å; C76-Y95 WeakPolarHBondContact CB-OH 3.39Å; C77-Y95 HydrophobicContact CB-CD1 4.3Å; C77-Y95 HydrophobicContact CB-CD2 3.54Å; C77-Y95 HydrophobicContact CB-CE2 3.95Å; C77-Y95 HydrophobicContact CB-CG 3.74Å; M91-Y95 WeakPolarHBondContact O-CB 3.47Å; M91-Y95 PolarHBondContact O-N 3Å; A92-Y95 PolarHBondContact O-N 2.94Å; Y95-K97 VanDerWaalsContact C-N 3.26Å; Y95-K97 PolarHBondContact O-N 3.24Å; Y95-Y98 PolarHBondContact O-N 3.22Å; Y95-E99 HydrophobicContact CD1-CB 4.36Å; Y95-E99 HydrophobicContact CD2-CB 3.86Å; Y95-E99 HydrophobicContact CD2-CG 3.83Å; Y95-E99 HydrophobicContact CE1-CB 4.1Å; Y95-E99 HydrophobicContact CE2-CB 3.57Å; Y95-E99 HydrophobicContact CE2-CG 3.67Å; Y95-E99 HydrophobicContact CG-CB 4.24Å; Y95-E99 WeakPolarHBondContact O-CA 3.09Å; Y95-E99 WeakPolarHBondContact O-CB 3.36Å; Y95-E99 PolarHBondContact O-N 3.17Å; Y95-G100 PolarHBondContact O-N 3.02Å; Y95-G100 VanDerWaalsContact O-N 3.1Å; Y95-I101 HydrophobicContact CD1-CD1 4.4Å; Y95-I101 HydrophobicContact CD1-CG1 3.94Å; Y95-I101 HydrophobicContact CE1-CG1 4Å |
| 96 | W | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 174.4 | 178.8 | 49.2 | 0 | 0 | 0 | 112.6 | M52 I56 A92 W93 D94 G100 I101 F160 Y161 G162 P267 | M52-W96 HydrophobicContact CB-CD2 4.33Å; M52-W96 HydrophobicContact CB-CH2 4.33Å; M52-W96 HydrophobicContact CB-CZ2 4.16Å; M52-W96 HydrophobicContact CE-CB 3.6Å; M52-W96 HydrophobicContact CE-CD2 4.17Å; M52-W96 HydrophobicContact CE-CE3 4.06Å; M52-W96 HydrophobicContact CE-CG 4.03Å; M52-W96 HydrophobicContact CG-CD2 3.73Å; M52-W96 HydrophobicContact CG-CE3 3.68Å; M52-W96 HydrophobicContact CG-CG 4.24Å; M52-W96 HydrophobicContact CG-CH2 4.23Å; M52-W96 HydrophobicContact CG-CZ2 4.31Å; M52-W96 HydrophobicContact CG-CZ3 3.94Å; M52-W96 HydrophobicContact SD-CB 3.7Å; M52-W96 HydrophobicContact SD-CD2 3.75Å; M52-W96 HydrophobicContact SD-CE3 4.09Å; M52-W96 HydrophobicContact SD-CG 3.6Å; M52-W96 VanDerWaalsContact SD-CG 3.6Å; I56-W96 HydrophobicContact CD1-CZ2 4.21Å; I56-W96 HydrophobicContact CG1-CZ2 4.09Å; A92-W96 PolarHBondContact O-N 3.5Å; W93-W96 AromaticContact CE3-CE3 3.79Å; W93-W96 HydrophobicContact CE3-CE3 3.79Å; W93-W96 AromaticContact CE3-CZ3 3.82Å; W93-W96 HydrophobicContact CE3-CZ3 3.82Å; W93-W96 HydrophobicContact CZ3-CE3 4.09Å; W93-W96 AromaticContact CZ3-CZ3 3.7Å; W93-W96 HydrophobicContact CZ3-CZ3 3.7Å; W93-W96 PolarHBondContact O-N 2.73Å; D94-W96 PolarHBondContact O-N 3.15Å; W96-G100 WeakPolarHBondContact O-CA 3.39Å; W96-G100 PolarHBondContact O-N 2.81Å; W96-I101 HydrophobicContact CB-CD1 3.85Å; W96-I101 HydrophobicContact CB-CG1 4.4Å; W96-I101 HydrophobicContact CG-CD1 4.23Å; W96-F160 PolarHBondContact NE1-O 2.84Å; W96-Y161 WeakPolarHBondContact O-CA 3.01Å; W96-G162 VanDerWaalsContact CE2-N 3.35Å; W96-G162 PolarHBondContact O-N 2.79Å; W96-P267 VanDerWaalsContact CH2-CA 3.45Å; W96-P267 HydrophobicContact CH2-CB 3.81Å; W96-P267 HydrophobicContact CZ2-CB 3.85Å |
| 97 | K | 97.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 33.1 Ų | 33.1 | 29% | 0.291 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67 | -49.6 | 176.5 | 177.8 | -171 | 175.7 | -166.8 | 0 | 112.9 | W93 D94 Y95 G162 | W93-K97 PolarHBondContact O-N 2.55Å; D94-K97 WeakPolarHBondContact O-CB 3.3Å; D94-K97 PolarHBondContact O-N 3.35Å; D94-K97 VanDerWaalsContact O-N 3.15Å; Y95-K97 VanDerWaalsContact C-N 3.26Å; Y95-K97 PolarHBondContact O-N 3.24Å; K97-G162 WeakPolarHBondContact CA-O 3.3Å |
| 98 | Y | 97.3 | Very high | 94.5 | Very high | 144 Ų | 144 | 35.6 Ų | 35.6 | 57% | 0.565 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -88.9 | -38.2 | -170.3 | -65.6 | -64.3 | 0 | 0 | 0 | 113.7 | D94 Y95 | D94-Y98 HydrophobicContact CB-CD2 4.32Å; D94-Y98 HydrophobicContact CB-CE2 4.3Å; D94-Y98 WeakPolarHBondContact O-CD2 3.49Å; D94-Y98 PolarHBondContact O-N 3.18Å; Y95-Y98 PolarHBondContact O-N 3.22Å |
| 99 | E | 97.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 34.6 Ų | 34.6 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -25.7 | -173.6 | -62.6 | -58.6 | 153 | 0 | 0 | 112.7 | Y95 K159 Y161 | Y95-E99 HydrophobicContact CD1-CB 4.36Å; Y95-E99 HydrophobicContact CD2-CB 3.86Å; Y95-E99 HydrophobicContact CD2-CG 3.83Å; Y95-E99 HydrophobicContact CE1-CB 4.1Å; Y95-E99 HydrophobicContact CE2-CB 3.57Å; Y95-E99 HydrophobicContact CE2-CG 3.67Å; Y95-E99 HydrophobicContact CG-CB 4.24Å; Y95-E99 WeakPolarHBondContact O-CA 3.09Å; Y95-E99 WeakPolarHBondContact O-CB 3.36Å; Y95-E99 PolarHBondContact O-N 3.17Å; E99-K159 VanDerWaalsContact O-CD 3.24Å; E99-K159 WeakPolarHBondContact O-CD 3.45Å; E99-K159 VanDerWaalsContact O-CE 3.3Å; E99-K159 WeakPolarHBondContact O-CE 3.34Å; E99-K159 PolarHBondContact O-NZ 2.82Å; E99-Y161 VanDerWaalsContact C-CE1 3.46Å; E99-Y161 VanDerWaalsContact O-CE1 3.3Å; E99-Y161 WeakPolarHBondContact O-CE1 3.43Å |
| 100 | G | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 70.4 | 159.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y95 W96 F160 | Y95-G100 PolarHBondContact O-N 3.02Å; Y95-G100 VanDerWaalsContact O-N 3.1Å; W96-G100 WeakPolarHBondContact O-CA 3.39Å; W96-G100 PolarHBondContact O-N 2.81Å; G100-F160 CarbonylContact C-O 3.26Å; G100-F160 WeakPolarHBondContact CA-O 3.26Å | ||
| 101 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 136.3 | -175.6 | -60.3 | 168.6 | 0 | 0 | 0 | 108.4 | V49 M52 L68 N72 L73 Y95 W96 F160 | V49-I101 HydrophobicContact CG1-CD1 4.18Å; V49-I101 HydrophobicContact CG1-CG2 4.49Å; M52-I101 HydrophobicContact SD-CD1 3.75Å; L68-I101 HydrophobicContact CB-CG2 4.05Å; L68-I101 HydrophobicContact CD1-CB 4.43Å; N72-I101 HydrophobicContact CB-CG2 4.26Å; L73-I101 HydrophobicContact CB-CD1 4.11Å; L73-I101 HydrophobicContact CD1-CD1 4.16Å; L73-I101 HydrophobicContact CD2-CD1 4.26Å; L73-I101 HydrophobicContact CG-CD1 4.4Å; Y95-I101 HydrophobicContact CD1-CD1 4.4Å; Y95-I101 HydrophobicContact CD1-CG1 3.94Å; Y95-I101 HydrophobicContact CE1-CG1 4Å; W96-I101 HydrophobicContact CB-CD1 3.85Å; W96-I101 HydrophobicContact CB-CG1 4.4Å; W96-I101 HydrophobicContact CG-CD1 4.23Å; I101-F160 PolarHBondContact N-O 3.16Å; I101-F160 PolarHBondContact O-N 3.24Å |
| 102 | V | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -79.7 | 167.9 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | S69 N72 C113 Q114 Y155 D158 K159 | S69-V102 WeakPolarHBondContact CB-O 3.04Å; S69-V102 PolarHBondContact N-O 3.25Å; N72-V102 HydrophobicContact CB-CG2 3.81Å; V102-C113 HydrophobicContact CB-CB 3.84Å; V102-C113 HydrophobicContact CG2-CB 3.94Å; V102-Q114 HydrophobicContact CG2-CB 4.1Å; V102-Q114 HydrophobicContact CG2-CG 3.97Å; V102-Y155 HydrophobicContact CB-CE2 4.47Å; V102-Y155 HydrophobicContact CG1-CD2 3.63Å; V102-Y155 HydrophobicContact CG1-CE2 3.53Å; V102-Y155 HydrophobicContact CG1-CG 4.32Å; V102-Y155 HydrophobicContact CG2-CD2 4.49Å; V102-Y155 HydrophobicContact CG2-CE2 4.11Å; V102-D158 HydrophobicContact CB-CB 4.34Å; V102-D158 HydrophobicContact CG1-CB 4.22Å; V102-K159 HydrophobicContact CG1-CG 3.74Å | ||
| 103 | T | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -72.6 | 154.8 | 173.2 | 63 | 0 | 0 | 0 | 0 | 111.8 | V66 E67 G112 C113 Q114 Y151 D158 F160 | V66-T103 HydrophobicContact CB-CG2 4.17Å; V66-T103 HydrophobicContact CG1-CG2 4.27Å; E67-T103 CarbonylContact O-C 3.57Å; E67-T103 WeakPolarHBondContact O-CA 3.48Å; E67-T103 WeakPolarHBondContact O-CB 3.21Å; T103-G112 VanDerWaalsContact OG1-CA 3.27Å; T103-G112 WeakPolarHBondContact OG1-CA 3.41Å; T103-C113 WeakPolarHBondContact O-CA 3.11Å; T103-C113 WeakPolarHBondContact O-CB 3.12Å; T103-C113 PolarHBondContact O-N 3.31Å; T103-C113 PolarHBondContact OG1-N 3.32Å; T103-Q114 PolarHBondContact O-N 3.39Å; T103-Y151 PolarHBondContact OG1-OH 3.17Å; T103-D158 WeakPolarHBondContact CB-OD2 3.49Å; T103-D158 WeakPolarHBondContact CG2-OD2 3.39Å; T103-D158 PolarHBondContact N-OD2 3.3Å; T103-D158 PolarHBondContact OG1-OD2 2.85Å; T103-F160 HydrophobicContact CG2-CD2 4.22Å; T103-F160 HydrophobicContact CG2-CE2 3.73Å |
| 104 | G | 94.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | 174.7 | 120.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E67 T111 Q114 | E67-G104 PolarHBondContact O-N 3.4Å; G104-T111 CarbonylContact C-O 3.55Å; G104-T111 WeakPolarHBondContact CA-O 3.05Å; G104-Q114 VanDerWaalsContact CA-O 3.29Å; G104-Q114 WeakPolarHBondContact CA-O 3.35Å | ||
| 105 | G | 89.6 | Confident | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -93.7 | -152.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q36 E67 T111 P115 Y116 | Q36-G105 PolarHBondContact NE2-O 2.81Å; Q36-G105 VanDerWaalsContact NE2-O 3.16Å; E67-G105 VanDerWaalsContact OE1-CA 3.24Å; E67-G105 WeakPolarHBondContact OE1-CA 3.14Å; E67-G105 WeakPolarHBondContact OE2-CA 3.47Å; G105-T111 WeakPolarHBondContact CA-OG1 3.2Å; G105-T111 PolarHBondContact N-O 3.4Å; G105-P115 CarbonylContact O-C 3.56Å; G105-P115 WeakPolarHBondContact O-CA 3.41Å; G105-Y116 WeakPolarHBondContact O-CB 3.28Å; G105-Y116 PolarHBondContact O-N 2.86Å | ||
| 106 | S | 87.4 | Confident | 93.7 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | trans | -78.4 | 170.2 | -177.6 | 87 | 0 | 0 | 0 | 0 | 113 | Q36 E108 T109 H110 | Q36-S106 VanDerWaalsContact NE2-N 3.2Å; S106-E108 WeakPolarHBondContact CB-OE2 3.24Å; S106-E108 PolarHBondContact O-N 3.08Å; S106-E108 PolarHBondContact OG-N 3.2Å; S106-E108 VanDerWaalsContact OG-N 3.15Å; S106-E108 PolarHBondContact OG-OE2 3.35Å; S106-T109 PolarHBondContact N-OG1 2.86Å; S106-T109 PolarHBondContact OG-N 3.13Å; S106-H110 PolarHBondContact O-N 2.81Å | ||
| 107 | N | 86.4 | Confident | 93.3 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.2 | 173.9 | -169.6 | -115.1 | 0 | 0 | 0 | 111.8 | H110 Y116 P117 F118 | N107-H110 PolarHBondContact O-CE1 3.35Å; N107-H110 PolarHBondContact O-ND1 2.85Å; N107-H110 PolarHBondContact O-NE2 3.16Å; N107-Y116 WeakPolarHBondContact CA-O 3.27Å; N107-Y116 WeakPolarHBondContact CB-O 3.37Å; N107-Y116 PolarHBondContact N-O 2.69Å; N107-Y116 PolarHBondContact ND2-O 2.79Å; N107-Y116 VanDerWaalsContact ND2-O 3.09Å; N107-P117 VanDerWaalsContact ND2-C 3.31Å; N107-P117 PolarHBondContact ND2-O 3.03Å; N107-F118 VanDerWaalsContact CB-O 3.26Å; N107-F118 WeakPolarHBondContact CB-O 3.47Å |
| 108 | E | 84.7 | Confident | 92.8 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -42 | -176.1 | -62.4 | 66.3 | -149.6 | 0 | 0 | 110.4 | S106 H110 P119 E120 | S106-E108 WeakPolarHBondContact CB-OE2 3.24Å; S106-E108 PolarHBondContact O-N 3.08Å; S106-E108 PolarHBondContact OG-N 3.2Å; S106-E108 VanDerWaalsContact OG-N 3.15Å; S106-E108 PolarHBondContact OG-OE2 3.35Å; E108-H110 PolarHBondContact O-ND1 3.03Å; E108-P119 WeakPolarHBondContact OE1-CA 3.15Å; E108-E120 HydrophobicContact CG-CG 4.48Å; E108-E120 WeakPolarHBondContact OE1-CG 3.18Å; E108-E120 PolarHBondContact OE1-N 2.88Å |
| 109 | T | 86.9 | Confident | 92.1 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 48% | 0.479 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -25.6 | -176.3 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | S106 T111 | S106-T109 PolarHBondContact N-OG1 2.86Å; S106-T109 PolarHBondContact OG-N 3.13Å; T109-T111 PolarHBondContact O-N 2.69Å; T109-T111 PolarHBondContact OG1-OG1 2.99Å |
| 110 | H | 90.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 28.1 Ų | 28.1 | 51% | 0.505 | 16% | 0.159 | S | C | . | . | trans | 53 | 31.9 | -177 | -61.9 | 77.4 | 0 | 0 | 0 | 113.3 | S106 N107 E108 Q148 | S106-H110 PolarHBondContact O-N 2.81Å; N107-H110 PolarHBondContact O-CE1 3.35Å; N107-H110 PolarHBondContact O-ND1 2.85Å; N107-H110 PolarHBondContact O-NE2 3.16Å; E108-H110 PolarHBondContact O-ND1 3.03Å; H110-Q148 PolarHBondContact O-NE2 3.27Å | ||
| 111 | T | 92.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 28.2 Ų | 28.2 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | trans | -89.5 | 153.3 | -177.3 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | G104 G105 T109 P115 | G104-T111 CarbonylContact C-O 3.55Å; G104-T111 WeakPolarHBondContact CA-O 3.05Å; G105-T111 WeakPolarHBondContact CA-OG1 3.2Å; G105-T111 PolarHBondContact N-O 3.4Å; T109-T111 PolarHBondContact O-N 2.69Å; T109-T111 PolarHBondContact OG1-OG1 2.99Å; T111-P115 WeakPolarHBondContact O-CG 3.29Å | ||
| 112 | G | 95.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 84.8 | -174.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T103 Q148 Y151 | T103-G112 VanDerWaalsContact OG1-CA 3.27Å; T103-G112 WeakPolarHBondContact OG1-CA 3.41Å; G112-Q148 PolarHBondContact O-NE2 2.84Å; G112-Y151 WeakPolarHBondContact O-CD2 3.34Å |
| 113 | C | 98.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -69.6 | -45.2 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 112 | V102 T103 C147 Q148 Y151 D158 | V102-C113 HydrophobicContact CB-CB 3.84Å; V102-C113 HydrophobicContact CG2-CB 3.94Å; T103-C113 WeakPolarHBondContact O-CA 3.11Å; T103-C113 WeakPolarHBondContact O-CB 3.12Å; T103-C113 PolarHBondContact O-N 3.31Å; T103-C113 PolarHBondContact OG1-N 3.32Å; C113-C147 HydrophobicContact CB-CB 3.83Å; C113-C147 WeakPolarHBondContact CB-SG 3.46Å; C113-C147 CarbonylContact O-C 3.55Å; C113-C147 WeakPolarHBondContact O-CA 3.39Å; C113-C147 WeakPolarHBondContact O-CB 3.37Å; C113-C147 WeakPolarHBondContact SG-CA 3.45Å; C113-C147 WeakPolarHBondContact SG-CB 3.09Å; C113-C147 CovalentContact SG-SG 2.03Å; C113-C147 PolarHBondContact SG-SG 3.37Å; C113-Q148 PolarHBondContact O-N 3.42Å; C113-Y151 HydrophobicContact CB-CD1 3.84Å; C113-Y151 HydrophobicContact CB-CE1 3.7Å; C113-D158 HydrophobicContact CB-CB 4.28Å; C113-D158 WeakPolarHBondContact CB-OD2 3.47Å |
| 114 | Q | 96.7 | Very high | 87.3 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -134.2 | 83 | -176.7 | -67.5 | -172.6 | -49.2 | 0 | 0 | 110.8 | S69 I71 N72 V102 T103 G104 H144 T146 | S69-Q114 WeakPolarHBondContact CB-O 3.27Å; S69-Q114 WeakPolarHBondContact OG-CB 3.47Å; S69-Q114 PolarHBondContact OG-O 3.35Å; I71-Q114 HydrophobicContact CG2-CB 4.04Å; I71-Q114 VanDerWaalsContact CG2-O 3.31Å; I71-Q114 WeakPolarHBondContact CG2-O 3.49Å; N72-Q114 VanDerWaalsContact CB-OE1 3.25Å; N72-Q114 PolarHBondContact ND2-OE1 2.87Å; V102-Q114 HydrophobicContact CG2-CB 4.1Å; V102-Q114 HydrophobicContact CG2-CG 3.97Å; T103-Q114 PolarHBondContact O-N 3.39Å; G104-Q114 VanDerWaalsContact CA-O 3.29Å; G104-Q114 WeakPolarHBondContact CA-O 3.35Å; Q114-H144 PolarHBondContact NE2-O 3.37Å; Q114-T146 PolarHBondContact NE2-O 2.03Å |
| 115 | P | 93.5 | Very high | 86.4 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | trans | -58.7 | 152.2 | 173.2 | -15.9 | 27 | 0 | 0 | 0 | 111.4 | G105 T111 | G105-P115 CarbonylContact O-C 3.56Å; G105-P115 WeakPolarHBondContact O-CA 3.41Å; T111-P115 WeakPolarHBondContact O-CG 3.29Å | ||
| 116 | Y | 90.8 | Very high | 85.6 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -66.5 | 131.9 | 178 | -164 | -115.7 | 0 | 0 | 0 | 110.4 | Q36 I38 N42 F46 A70 I71 G105 N107 F118 | Q36-Y116 HydrophobicContact CB-CD1 4.21Å; Q36-Y116 HydrophobicContact CB-CE1 4.32Å; Q36-Y116 HydrophobicContact CG-CD1 4.25Å; Q36-Y116 VanDerWaalsContact OE1-CD1 3.3Å; I38-Y116 HydrophobicContact CD1-CE1 4.48Å; I38-Y116 WeakPolarHBondContact CD1-OH 3.46Å; I38-Y116 HydrophobicContact CG1-CE1 4.26Å; I38-Y116 WeakPolarHBondContact CG1-OH 3.03Å; N42-Y116 PolarHBondContact ND2-OH 2.83Å; F46-Y116 HydrophobicContact CE2-CE1 4.47Å; F46-Y116 AromaticContact CE2-CE2 3.85Å; F46-Y116 HydrophobicContact CE2-CE2 3.85Å; F46-Y116 AromaticContact CE2-CZ 3.71Å; F46-Y116 HydrophobicContact CZ-CD1 4.39Å; F46-Y116 HydrophobicContact CZ-CD2 4.01Å; F46-Y116 AromaticContact CZ-CE1 3.97Å; F46-Y116 HydrophobicContact CZ-CE1 3.97Å; F46-Y116 AromaticContact CZ-CE2 3.6Å; F46-Y116 HydrophobicContact CZ-CE2 3.6Å; F46-Y116 HydrophobicContact CZ-CG 4.39Å; F46-Y116 AromaticContact CZ-CZ 3.54Å; A70-Y116 HydrophobicContact CB-CD2 4.18Å; A70-Y116 HydrophobicContact CB-CE2 4.37Å; I71-Y116 HydrophobicContact CB-CD2 3.99Å; G105-Y116 WeakPolarHBondContact O-CB 3.28Å; G105-Y116 PolarHBondContact O-N 2.86Å; N107-Y116 WeakPolarHBondContact CA-O 3.27Å; N107-Y116 WeakPolarHBondContact CB-O 3.37Å; N107-Y116 PolarHBondContact N-O 2.69Å; N107-Y116 PolarHBondContact ND2-O 2.79Å; N107-Y116 VanDerWaalsContact ND2-O 3.09Å; Y116-F118 VanDerWaalsContact C-N 3.28Å; Y116-F118 HydrophobicContact CD1-CB 4.01Å; Y116-F118 HydrophobicContact CD1-CD2 4.22Å; Y116-F118 WeakPolarHBondContact CD1-O 3.33Å; Y116-F118 HydrophobicContact CE1-CB 3.69Å; Y116-F118 AromaticContact CE1-CD2 3.67Å; Y116-F118 HydrophobicContact CE1-CD2 3.67Å; Y116-F118 HydrophobicContact CE1-CG 4.18Å; Y116-F118 AromaticContact CE2-CD2 4Å; Y116-F118 HydrophobicContact CE2-CD2 4Å; Y116-F118 AromaticContact CZ-CD2 3.55Å; Y116-F118 PolarHBondContact O-N 3.01Å | ||
| 117 | P | 89.7 | Confident | 85.1 | Confident | 58 Ų | 58 | 40 Ų | 40 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -84.7 | -2.4 | -169.3 | 32.2 | -35.2 | 0 | 0 | 0 | 113.6 | I71 N107 P141 | I71-P117 HydrophobicContact CD1-CG 4.12Å; I71-P117 HydrophobicContact CG1-CG 4.08Å; N107-P117 VanDerWaalsContact ND2-C 3.31Å; N107-P117 PolarHBondContact ND2-O 3.03Å; P117-P141 HydrophobicContact CG-CG 4.13Å |
| 118 | F | 86.1 | Confident | 84.7 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -116 | 133.1 | -170.2 | -49.9 | -66.5 | 0 | 0 | 0 | 111 | I38 N107 Y116 F138 P141 | I38-F118 HydrophobicContact CD1-CB 3.63Å; I38-F118 HydrophobicContact CD1-CD1 3.91Å; I38-F118 HydrophobicContact CD1-CD2 2.97Å; I38-F118 HydrophobicContact CD1-CE1 4.21Å; I38-F118 HydrophobicContact CD1-CE2 3.29Å; I38-F118 HydrophobicContact CD1-CG 3.25Å; I38-F118 HydrophobicContact CD1-CZ 3.9Å; I38-F118 HydrophobicContact CG1-CB 3.88Å; I38-F118 HydrophobicContact CG1-CD2 3.98Å; I38-F118 HydrophobicContact CG1-CG 4.07Å; N107-F118 VanDerWaalsContact CB-O 3.26Å; N107-F118 WeakPolarHBondContact CB-O 3.47Å; Y116-F118 VanDerWaalsContact C-N 3.28Å; Y116-F118 HydrophobicContact CD1-CB 4.01Å; Y116-F118 HydrophobicContact CD1-CD2 4.22Å; Y116-F118 WeakPolarHBondContact CD1-O 3.33Å; Y116-F118 HydrophobicContact CE1-CB 3.69Å; Y116-F118 AromaticContact CE1-CD2 3.67Å; Y116-F118 HydrophobicContact CE1-CD2 3.67Å; Y116-F118 HydrophobicContact CE1-CG 4.18Å; Y116-F118 AromaticContact CE2-CD2 4Å; Y116-F118 HydrophobicContact CE2-CD2 4Å; Y116-F118 AromaticContact CZ-CD2 3.55Å; Y116-F118 PolarHBondContact O-N 3.01Å; F118-F138 HydrophobicContact CB-CD2 4.43Å; F118-F138 HydrophobicContact CB-CE2 4.21Å; F118-F138 HydrophobicContact CD1-CB 4.04Å; F118-F138 AromaticContact CD1-CD1 3.51Å; F118-F138 HydrophobicContact CD1-CD1 3.51Å; F118-F138 AromaticContact CD1-CD2 3.94Å; F118-F138 HydrophobicContact CD1-CD2 3.94Å; F118-F138 AromaticContact CD1-CE1 3.82Å; F118-F138 HydrophobicContact CD1-CE1 3.82Å; F118-F138 HydrophobicContact CD1-CE2 4.15Å; F118-F138 AromaticContact CD1-CG 3.57Å; F118-F138 HydrophobicContact CD1-CG 3.57Å; F118-F138 HydrophobicContact CD1-CZ 4.11Å; F118-F138 HydrophobicContact CE1-CB 3.52Å; F118-F138 AromaticContact CE1-CD1 3.49Å; F118-F138 HydrophobicContact CE1-CD1 3.49Å; F118-F138 VanDerWaalsContact CE1-CD1 3.49Å; F118-F138 HydrophobicContact CE1-CD2 4.31Å; F118-F138 HydrophobicContact CE1-CE1 4.22Å; F118-F138 AromaticContact CE1-CG 3.53Å; F118-F138 HydrophobicContact CE1-CG 3.53Å; F118-F138 HydrophobicContact CE2-CB 4.39Å; F118-F138 HydrophobicContact CG-CD2 4.25Å; F118-F138 HydrophobicContact CG-CE2 4.44Å; F118-F138 HydrophobicContact CG-CG 4.27Å; F118-F138 HydrophobicContact CZ-CB 3.67Å; F118-F138 HydrophobicContact CZ-CD1 4.48Å; F118-F138 HydrophobicContact CZ-CG 4.16Å; F118-P141 HydrophobicContact CE1-CG 4.34Å; F118-P141 HydrophobicContact CE2-CG 3.83Å; F118-P141 HydrophobicContact CZ-CG 3.4Å; F118-P141 VanDerWaalsContact CZ-CG 3.4Å |
| 119 | P | 83.7 | Confident | 84.5 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -71.6 | 156 | -174.4 | 31 | -36.6 | 0 | 0 | 0 | 111.5 | E108 C121 | E108-P119 WeakPolarHBondContact OE1-CA 3.15Å; P119-C121 PolarHBondContact O-N 3.26Å | ||
| 120 | E | 81.8 | Confident | 84.1 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | trans | -57 | 138.3 | 166.3 | -66.4 | 178.2 | -172.5 | 0 | 0 | 111 | D35 L37 E108 Y130 | D35-E120 HydrophobicContact CB-CG 4.37Å; D35-E120 WeakPolarHBondContact CB-OE1 3.21Å; D35-E120 VanDerWaalsContact O-CG 3.3Å; D35-E120 WeakPolarHBondContact O-CG 3.46Å; L37-E120 HydrophobicContact CD1-CB 4.05Å; L37-E120 HydrophobicContact CD1-CG 4.34Å; E108-E120 HydrophobicContact CG-CG 4.48Å; E108-E120 WeakPolarHBondContact OE1-CG 3.18Å; E108-E120 PolarHBondContact OE1-N 2.88Å; E120-Y130 HydrophobicContact CB-CD1 3.64Å; E120-Y130 HydrophobicContact CB-CE1 3.59Å; E120-Y130 HydrophobicContact CB-CG 4.41Å; E120-Y130 HydrophobicContact CG-CE1 4.39Å; E120-Y130 WeakPolarHBondContact OE2-CE1 3.2Å; E120-Y130 PolarHBondContact OE2-OH 3.34Å | ||
| 121 | C | 78.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | trans | -128.8 | -166 | 176.4 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | L37 P119 Y130 P131 C133 N238 | L37-C121 HydrophobicContact CB-CB 4.39Å; L37-C121 WeakPolarHBondContact CB-SG 3.09Å; L37-C121 VanDerWaalsContact CD1-O 3.3Å; L37-C121 WeakPolarHBondContact CD1-O 3.46Å; L37-C121 HydrophobicContact CD2-CB 4.03Å; L37-C121 WeakPolarHBondContact CD2-O 3.46Å; L37-C121 WeakPolarHBondContact CD2-SG 3.3Å; P119-C121 PolarHBondContact O-N 3.26Å; C121-Y130 VanDerWaalsContact O-CB 3.24Å; C121-Y130 WeakPolarHBondContact O-CB 3.44Å; C121-P131 CarbonylContact C-O 3.53Å; C121-P131 VanDerWaalsContact C-O 3.26Å; C121-P131 WeakPolarHBondContact CA-O 3.3Å; C121-P131 HydrophobicContact CB-CG 4.48Å; C121-P131 WeakPolarHBondContact CB-O 3.45Å; C121-C133 HydrophobicContact CB-CB 4.01Å; C121-C133 WeakPolarHBondContact CB-SG 3.32Å; C121-C133 WeakPolarHBondContact SG-CA 3.03Å; C121-C133 WeakPolarHBondContact SG-CB 3.44Å; C121-C133 CovalentContact SG-SG 2.03Å; C121-C133 PolarHBondContact SG-SG 3.17Å; C121-N238 PolarHBondContact O-ND2 3.29Å | ||
| 122 | N | 78.2 | Confident | 82.9 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -117.2 | 127.5 | 174.1 | -98 | -37.2 | 0 | 0 | 0 | 111.3 | S127 Y130 P131 C133 N238 | N122-S127 PolarHBondContact ND2-O 3.39Å; N122-Y130 PolarHBondContact ND2-N 2.89Å; N122-Y130 VanDerWaalsContact ND2-N 3.11Å; N122-Y130 PolarHBondContact ND2-O 2.76Å; N122-P131 PolarHBondContact N-O 2.8Å; N122-C133 PolarHBondContact N-SG 3.37Å; N122-C133 PolarHBondContact O-N 3.02Å; N122-C133 PolarHBondContact O-SG 3.2Å; N122-C133 VanDerWaalsContact O-SG 3.37Å; N122-N238 PolarHBondContact OD1-ND2 3.02Å |
| 123 | H | 73.5 | Confident | 81.9 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -106.8 | 113.9 | 173 | -70.3 | 131.5 | 0 | 0 | 0 | 110.8 | L37 T39 S125 C133 W237 | L37-H123 HydrophobicContact CD2-CB 4.33Å; L37-H123 WeakPolarHBondContact CD2-CE1 3.3Å; L37-H123 WeakPolarHBondContact CD2-ND1 3.49Å; L37-H123 WeakPolarHBondContact CG-CE1 3.35Å; L37-H123 WeakPolarHBondContact CG-ND1 3.14Å; T39-H123 PolarHBondContact N-NE2 2.94Å; H123-S125 PolarHBondContact O-N 2.98Å; H123-C133 PolarHBondContact CD2-SG 2.98Å; H123-C133 PolarHBondContact NE2-SG 3.17Å; H123-C133 VanDerWaalsContact NE2-SG 3.37Å; H123-W237 HydrophobicContact CB-CB 3.86Å; H123-W237 HydrophobicContact CB-CD2 4.34Å; H123-W237 HydrophobicContact CB-CG 3.98Å; H123-W237 AromaticContact CE1-CD1 3.54Å; H123-W237 AromaticContact CG-CD1 3.89Å; H123-W237 AromaticContact CG-CG 3.88Å; H123-W237 WeakPolarHBondContact ND1-CA 3.09Å; H123-W237 WeakPolarHBondContact ND1-CB 3.23Å; H123-W237 AromaticContact ND1-CD1 3.18Å; H123-W237 AromaticContact ND1-CG 3.4Å |
| 124 | H | 74.9 | Confident | 80.2 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 47.6 | 29.4 | 169.9 | -52.5 | -63.5 | 0 | 0 | 0 | 115.1 | L196 K199 | H124-L196 WeakPolarHBondContact CB-O 3.45Å; H124-K199 PolarHBondContact O-NZ 3.43Å |
| 125 | S | 74.9 | Confident | 78.4 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | trans | -111.5 | 147.6 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | H123 S127 Q240 | H123-S125 PolarHBondContact O-N 2.98Å; S125-S127 PolarHBondContact O-N 3.12Å; S125-S127 PolarHBondContact OG-N 2.87Å; S125-Q240 WeakPolarHBondContact CB-O 3.35Å; S125-Q240 PolarHBondContact OG-O 3.1Å | ||
| 126 | S | 73.9 | Confident | 76.8 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 81% | 0.811 | 33% | 0.325 | S | S | * | . | trans | -78.5 | -3.2 | 171.8 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 127 | S | 77.1 | Confident | 75.8 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | trans | -62.9 | 145.8 | 178.5 | -173 | 0 | 0 | 0 | 0 | 111.6 | N122 S125 S129 Q240 | N122-S127 PolarHBondContact ND2-O 3.39Å; S125-S127 PolarHBondContact O-N 3.12Å; S125-S127 PolarHBondContact OG-N 2.87Å; S127-S129 PolarHBondContact OG-N 3.48Å; S127-S129 PolarHBondContact OG-OG 2.75Å; S127-S129 VanDerWaalsContact OG-OG 3.05Å; S127-Q240 PolarHBondContact OG-OE1 3.43Å | ||
| 128 | K | 77.5 | Confident | 75.2 | Confident | 202 Ų | 202 | 64.7 Ų | 64.7 | 88% | 0.878 | 34% | 0.342 | S | S | * | . | trans | -105.3 | 8.4 | 173.3 | -65.6 | -175.4 | 179.3 | -179.3 | 0 | 112.5 | Y130 | K128-Y130 PolarHBondContact O-N 2.88Š| ||
| 129 | S | 80.9 | Confident | 75.1 | Confident | 80 Ų | 80 | 68.2 Ų | 68.2 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -63.3 | -28.3 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | S127 | S127-S129 PolarHBondContact OG-N 3.48Å; S127-S129 PolarHBondContact OG-OG 2.75Å; S127-S129 VanDerWaalsContact OG-OG 3.05Å |
| 130 | Y | 77.9 | Confident | 75.3 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -133.7 | 153.8 | -177 | -53.5 | -78.2 | 0 | 0 | 0 | 111.9 | E120 C121 N122 K128 Q240 | E120-Y130 HydrophobicContact CB-CD1 3.64Å; E120-Y130 HydrophobicContact CB-CE1 3.59Å; E120-Y130 HydrophobicContact CB-CG 4.41Å; E120-Y130 HydrophobicContact CG-CE1 4.39Å; E120-Y130 WeakPolarHBondContact OE2-CE1 3.2Å; E120-Y130 PolarHBondContact OE2-OH 3.34Å; C121-Y130 VanDerWaalsContact O-CB 3.24Å; C121-Y130 WeakPolarHBondContact O-CB 3.44Å; N122-Y130 PolarHBondContact ND2-N 2.89Å; N122-Y130 VanDerWaalsContact ND2-N 3.11Å; N122-Y130 PolarHBondContact ND2-O 2.76Å; K128-Y130 PolarHBondContact O-N 2.88Å; Y130-Q240 HydrophobicContact CD2-CG 4.28Å; Y130-Q240 HydrophobicContact CE2-CG 4.05Å |
| 131 | P | 80.3 | Confident | 75.7 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | trans | -65.2 | 148.7 | 174.2 | 27.5 | -34.7 | 0 | 0 | 0 | 111.5 | C121 N122 C133 | C121-P131 CarbonylContact C-O 3.53Å; C121-P131 VanDerWaalsContact C-O 3.26Å; C121-P131 WeakPolarHBondContact CA-O 3.3Å; C121-P131 HydrophobicContact CB-CG 4.48Å; C121-P131 WeakPolarHBondContact CB-O 3.45Å; N122-P131 PolarHBondContact N-O 2.8Å; P131-C133 PolarHBondContact O-N 3.37Å | ||
| 132 | P | 78.1 | Confident | 76.4 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -61.6 | 135 | 175.1 | -22.3 | 33.1 | 0 | 0 | 0 | 112.7 | E134 S135 | P132-E134 VanDerWaalsContact C-N 3.27Å; P132-E134 PolarHBondContact O-N 2.94Å; P132-S135 PolarHBondContact O-OG 3.41Å |
| 133 | C | 72.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 3% | 0.027 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -68.4 | -22.5 | -178.9 | -60.7 | 0 | 0 | 0 | 0 | 115 | L37 T39 C121 N122 H123 P131 S135 Y136 | L37-C133 WeakPolarHBondContact CD2-SG 3.15Å; T39-C133 HydrophobicContact CG2-CB 3.96Å; C121-C133 HydrophobicContact CB-CB 4.01Å; C121-C133 WeakPolarHBondContact CB-SG 3.32Å; C121-C133 WeakPolarHBondContact SG-CA 3.03Å; C121-C133 WeakPolarHBondContact SG-CB 3.44Å; C121-C133 CovalentContact SG-SG 2.03Å; C121-C133 PolarHBondContact SG-SG 3.17Å; N122-C133 PolarHBondContact N-SG 3.37Å; N122-C133 PolarHBondContact O-N 3.02Å; N122-C133 PolarHBondContact O-SG 3.2Å; N122-C133 VanDerWaalsContact O-SG 3.37Å; H123-C133 PolarHBondContact CD2-SG 2.98Å; H123-C133 PolarHBondContact NE2-SG 3.17Å; H123-C133 VanDerWaalsContact NE2-SG 3.37Å; P131-C133 PolarHBondContact O-N 3.37Å; C133-S135 PolarHBondContact O-N 3.03Å; C133-Y136 PolarHBondContact O-N 3.38Å |
| 134 | E | 63.1 | Low | 78.3 | Confident | 170 Ų | 170 | 82.5 Ų | 82.5 | 79% | 0.794 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -58.8 | -17.4 | -177.3 | -65.3 | 177.4 | -172.1 | 0 | 0 | 112.9 | P132 Y136 | P132-E134 VanDerWaalsContact C-N 3.27Å; P132-E134 PolarHBondContact O-N 2.94Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.47Å |
| 135 | S | 58.1 | Low | 79.4 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 57% | 0.573 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -77.4 | -8.7 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | P132 C133 | P132-S135 PolarHBondContact O-OG 3.41Å; C133-S135 PolarHBondContact O-N 3.03Å |
| 136 | Y | 61.4 | Low | 80.4 | Confident | 87 Ų | 87 | 88 Ų | 88 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | trans | -123.5 | 113.2 | -172 | -58.6 | -74.8 | 0 | 0 | 0 | 113.5 | C133 E134 F138 | C133-Y136 PolarHBondContact O-N 3.38Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.47Å; Y136-F138 AromaticContact CD1-CE1 3.84Å; Y136-F138 HydrophobicContact CD1-CE1 3.84Å; Y136-F138 AromaticContact CD1-CE2 3.99Å; Y136-F138 HydrophobicContact CD1-CE2 3.99Å; Y136-F138 AromaticContact CD1-CZ 3.34Å; Y136-F138 HydrophobicContact CD1-CZ 3.34Å; Y136-F138 HydrophobicContact CD2-CE2 4.33Å; Y136-F138 HydrophobicContact CD2-CZ 4.32Å; Y136-F138 HydrophobicContact CE1-CZ 4.12Å; Y136-F138 HydrophobicContact CG-CE1 4.3Å; Y136-F138 AromaticContact CG-CE2 3.61Å; Y136-F138 HydrophobicContact CG-CE2 3.61Å; Y136-F138 AromaticContact CG-CZ 3.47Å; Y136-F138 HydrophobicContact CG-CZ 3.47Å; Y136-F138 VanDerWaalsContact CG-CZ 3.47Å | ||
| 137 | Y | 69.5 | Low | 81.6 | Confident | 142 Ų | 142 | 83.5 Ų | 83.5 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | trans | -103 | 98.7 | 160 | -170.4 | -90.8 | 0 | 0 | 0 | 108.3 | I41 R85 | I41-Y137 HydrophobicContact CD1-CE2 4.32Å; R85-Y137 PolarHBondContact NE-OH 3.42Å; R85-Y137 PolarHBondContact NH2-OH 2.79Å | ||
| 138 | F | 76.7 | Confident | 82.5 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 122.9 | 178.8 | -64.7 | -67.3 | 0 | 0 | 0 | 110.2 | I38 C84 F118 Y136 | I38-F138 HydrophobicContact CD1-CB 3.68Å; I38-F138 HydrophobicContact CD1-CD2 3.29Å; I38-F138 HydrophobicContact CD1-CE2 4.11Å; I38-F138 HydrophobicContact CD1-CG 3.79Å; I38-F138 HydrophobicContact CG1-CD2 3.68Å; I38-F138 HydrophobicContact CG1-CE2 4.16Å; I38-F138 HydrophobicContact CG2-CD2 4.4Å; C84-F138 WeakPolarHBondContact CB-O 3.34Å; F118-F138 HydrophobicContact CB-CD2 4.43Å; F118-F138 HydrophobicContact CB-CE2 4.21Å; F118-F138 HydrophobicContact CD1-CB 4.04Å; F118-F138 AromaticContact CD1-CD1 3.51Å; F118-F138 HydrophobicContact CD1-CD1 3.51Å; F118-F138 AromaticContact CD1-CD2 3.94Å; F118-F138 HydrophobicContact CD1-CD2 3.94Å; F118-F138 AromaticContact CD1-CE1 3.82Å; F118-F138 HydrophobicContact CD1-CE1 3.82Å; F118-F138 HydrophobicContact CD1-CE2 4.15Å; F118-F138 AromaticContact CD1-CG 3.57Å; F118-F138 HydrophobicContact CD1-CG 3.57Å; F118-F138 HydrophobicContact CD1-CZ 4.11Å; F118-F138 HydrophobicContact CE1-CB 3.52Å; F118-F138 AromaticContact CE1-CD1 3.49Å; F118-F138 HydrophobicContact CE1-CD1 3.49Å; F118-F138 VanDerWaalsContact CE1-CD1 3.49Å; F118-F138 HydrophobicContact CE1-CD2 4.31Å; F118-F138 HydrophobicContact CE1-CE1 4.22Å; F118-F138 AromaticContact CE1-CG 3.53Å; F118-F138 HydrophobicContact CE1-CG 3.53Å; F118-F138 HydrophobicContact CE2-CB 4.39Å; F118-F138 HydrophobicContact CG-CD2 4.25Å; F118-F138 HydrophobicContact CG-CE2 4.44Å; F118-F138 HydrophobicContact CG-CG 4.27Å; F118-F138 HydrophobicContact CZ-CB 3.67Å; F118-F138 HydrophobicContact CZ-CD1 4.48Å; F118-F138 HydrophobicContact CZ-CG 4.16Å; Y136-F138 AromaticContact CD1-CE1 3.84Å; Y136-F138 HydrophobicContact CD1-CE1 3.84Å; Y136-F138 AromaticContact CD1-CE2 3.99Å; Y136-F138 HydrophobicContact CD1-CE2 3.99Å; Y136-F138 AromaticContact CD1-CZ 3.34Å; Y136-F138 HydrophobicContact CD1-CZ 3.34Å; Y136-F138 HydrophobicContact CD2-CE2 4.33Å; Y136-F138 HydrophobicContact CD2-CZ 4.32Å; Y136-F138 HydrophobicContact CE1-CZ 4.12Å; Y136-F138 HydrophobicContact CG-CE1 4.3Å; Y136-F138 AromaticContact CG-CE2 3.61Å; Y136-F138 HydrophobicContact CG-CE2 3.61Å; Y136-F138 AromaticContact CG-CZ 3.47Å; Y136-F138 HydrophobicContact CG-CZ 3.47Å; Y136-F138 VanDerWaalsContact CG-CZ 3.47Å |
| 139 | P | 84.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 157.7 | 170.5 | 30.1 | -34.2 | 0 | 0 | 0 | 110.1 | P141 | P139-P141 WeakPolarHBondContact O-CD 3.46Š|
| 140 | T | 87.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 85.7 Ų | 85.7 | 32% | 0.319 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 121.1 | 169.3 | -47.4 | 0 | 0 | 0 | 0 | 108.5 | F82 C84 | F82-T140 PolarHBondContact O-OG1 3.43Å; C84-T140 WeakPolarHBondContact CB-OG1 3.36Å; C84-T140 PolarHBondContact N-OG1 3.31Å |
| 141 | P | 90.2 | Very high | 84.5 | Confident | 35 Ų | 35 | 86.3 Ų | 86.3 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 157.4 | 174.8 | -25.6 | 39 | 0 | 0 | 0 | 111.4 | I71 S75 P117 F118 P139 | I71-P141 HydrophobicContact CD1-CB 3.96Å; I71-P141 HydrophobicContact CD1-CG 3.56Å; S75-P141 WeakPolarHBondContact CB-O 3.16Å; P117-P141 HydrophobicContact CG-CG 4.13Å; F118-P141 HydrophobicContact CE1-CG 4.34Å; F118-P141 HydrophobicContact CE2-CG 3.83Å; F118-P141 HydrophobicContact CZ-CG 3.4Å; F118-P141 VanDerWaalsContact CZ-CG 3.4Å; P139-P141 WeakPolarHBondContact O-CD 3.46Å |
| 142 | E | 94 | Very high | 85.1 | Confident | 151 Ų | 151 | 87.2 Ų | 87.2 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -65 | 146.5 | 173.6 | -64.3 | -171.5 | 159.4 | 0 | 0 | 110.8 | H144 | E142-H144 PolarHBondContact O-CD2 2.74Å; E142-H144 VanDerWaalsContact O-CD2 3.32Å; E142-H144 PolarHBondContact O-N 3.47Å; E142-H144 IonicContact OE2-CE1 3.75Å |
| 143 | C | 96.4 | Very high | 85.9 | Confident | 55 Ų | 55 | 86.7 Ų | 86.7 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 123.3 | 171.2 | 174 | 0 | 0 | 0 | 0 | 109.6 | S75 C76 | S75-C143 WeakPolarHBondContact O-CB 3.29Å; C76-C143 VanDerWaalsContact CA-SG 3.51Å; C76-C143 HydrophobicContact CB-CB 3.92Å; C76-C143 WeakPolarHBondContact CB-SG 3.02Å; C76-C143 WeakPolarHBondContact SG-CB 3.31Å; C76-C143 CovalentContact SG-SG 2.04Å; C76-C143 PolarHBondContact SG-SG 3.29Å |
| 144 | H | 95.1 | Very high | 87 | Confident | 98 Ų | 98 | 90.2 Ų | 90.2 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | trans | -114.5 | 133.3 | 172 | -59.1 | -65.3 | 0 | 0 | 0 | 109.9 | Q114 E142 T146 | Q114-H144 PolarHBondContact NE2-O 3.37Å; E142-H144 PolarHBondContact O-CD2 2.74Å; E142-H144 VanDerWaalsContact O-CD2 3.32Å; E142-H144 PolarHBondContact O-N 3.47Å; E142-H144 IonicContact OE2-CE1 3.75Å; H144-T146 VanDerWaalsContact C-N 3.27Å; H144-T146 PolarHBondContact O-N 3.5Å | ||
| 145 | E | 96.5 | Very high | 88.7 | Confident | 122 Ų | 122 | 82.7 Ų | 82.7 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -95.9 | 39.4 | 175.5 | -62.9 | -161.5 | 155.6 | 0 | 0 | 112.2 | Y155 | E145-Y155 VanDerWaalsContact C-CG 3.43Å; E145-Y155 HydrophobicContact CB-CD1 3.84Å; E145-Y155 HydrophobicContact CB-CE1 3.63Å; E145-Y155 HydrophobicContact CB-CG 4.47Å; E145-Y155 HydrophobicContact CG-CE1 3.84Å; E145-Y155 VanDerWaalsContact O-CB 3.3Å; E145-Y155 WeakPolarHBondContact O-CB 3.13Å; E145-Y155 WeakPolarHBondContact O-CD1 3.27Å; E145-Y155 VanDerWaalsContact O-CG 3.26Å |
| 146 | T | 97.2 | Very high | 90.5 | Very high | 94 Ų | 94 | 86.6 Ų | 86.6 | 58% | 0.577 | 46% | 0.456 | S | S | * | . | trans | -135.5 | 147.5 | -179.3 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | Q114 H144 | Q114-T146 PolarHBondContact NE2-O 2.03Å; H144-T146 VanDerWaalsContact C-N 3.27Å; H144-T146 PolarHBondContact O-N 3.5Å | ||
| 147 | C | 97.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 89.6 Ų | 89.6 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | trans | -85.1 | 165.1 | 169.6 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | C113 Y151 K153 Y155 | C113-C147 HydrophobicContact CB-CB 3.83Å; C113-C147 WeakPolarHBondContact CB-SG 3.46Å; C113-C147 CarbonylContact O-C 3.55Å; C113-C147 WeakPolarHBondContact O-CA 3.39Å; C113-C147 WeakPolarHBondContact O-CB 3.37Å; C113-C147 WeakPolarHBondContact SG-CA 3.45Å; C113-C147 WeakPolarHBondContact SG-CB 3.09Å; C113-C147 CovalentContact SG-SG 2.03Å; C113-C147 PolarHBondContact SG-SG 3.37Å; C147-Y151 HydrophobicContact CB-CD1 3.93Å; C147-Y151 HydrophobicContact CB-CG 4.38Å; C147-K153 PolarHBondContact SG-O 2.84Å; C147-K153 VanDerWaalsContact SG-O 3.37Å; C147-Y155 VanDerWaalsContact SG-CA 3.6Å | ||
| 148 | Q | 96.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 82.9 Ų | 82.9 | 24% | 0.243 | 44% | 0.444 | C | S | . | . | trans | -56.8 | 147.6 | 165.7 | 61.8 | 178.7 | -14.8 | 0 | 0 | 111.5 | H110 G112 C113 D150 Y151 | H110-Q148 PolarHBondContact O-NE2 3.27Å; G112-Q148 PolarHBondContact O-NE2 2.84Å; C113-Q148 PolarHBondContact O-N 3.42Å; Q148-D150 VanDerWaalsContact CG-OD1 3.3Å; Q148-D150 WeakPolarHBondContact CG-OD1 2.89Å; Q148-D150 PolarHBondContact O-N 3.43Å; Q148-D150 VanDerWaalsContact O-N 3.15Å; Q148-Y151 WeakPolarHBondContact O-CB 3.3Å; Q148-Y151 PolarHBondContact O-N 2.67Å; Q148-Y151 VanDerWaalsContact O-N 3.14Å | ||
| 149 | D | 92.3 | Very high | 94.5 | Very high | 174 Ų | 174 | 81.8 Ų | 81.8 | 93% | 0.93 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.3 | -165.9 | -69.5 | -30.4 | 0 | 0 | 0 | 113.7 | ||
| 150 | D | 91.5 | Very high | 95.2 | Very high | 128 Ų | 128 | 78.4 Ų | 78.4 | 68% | 0.684 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -1.4 | -176.2 | 65.6 | -25.1 | 0 | 0 | 0 | 114.5 | Q148 G152 | Q148-D150 VanDerWaalsContact CG-OD1 3.3Å; Q148-D150 WeakPolarHBondContact CG-OD1 2.89Å; Q148-D150 PolarHBondContact O-N 3.43Å; Q148-D150 VanDerWaalsContact O-N 3.15Å; D150-G152 PolarHBondContact O-N 3.11Å |
| 151 | Y | 94.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -73.4 | -24.2 | -176.4 | -171.2 | -117.4 | 0 | 0 | 0 | 114.2 | T103 G112 C113 C147 Q148 K153 D158 | T103-Y151 PolarHBondContact OG1-OH 3.17Å; G112-Y151 WeakPolarHBondContact O-CD2 3.34Å; C113-Y151 HydrophobicContact CB-CD1 3.84Å; C113-Y151 HydrophobicContact CB-CE1 3.7Å; C147-Y151 HydrophobicContact CB-CD1 3.93Å; C147-Y151 HydrophobicContact CB-CG 4.38Å; Q148-Y151 WeakPolarHBondContact O-CB 3.3Å; Q148-Y151 PolarHBondContact O-N 2.67Å; Q148-Y151 VanDerWaalsContact O-N 3.14Å; Y151-K153 HydrophobicContact CD1-CB 3.88Å; Y151-K153 HydrophobicContact CE1-CB 3.7Å; Y151-K153 HydrophobicContact CE1-CD 4.27Å; Y151-K153 HydrophobicContact CE1-CG 4.46Å; Y151-K153 PolarHBondContact O-N 2.85Å; Y151-D158 HydrophobicContact CE1-CB 4.16Å; Y151-D158 PolarHBondContact OH-OD1 2.89Å; Y151-D158 PolarHBondContact OH-OD2 2.67Å |
| 152 | G | 92.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 78.7 Ų | 78.7 | 83% | 0.825 | 41% | 0.408 | S | S | * | . | trans | 72 | -15.3 | 174 | 0 | 0 | 0 | 0 | 0 | 116.9 | D150 | D150-G152 PolarHBondContact O-N 3.11Š| ||
| 153 | K | 95.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 32% | 0.317 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -105 | 131.9 | 178.2 | -173.2 | 176.1 | 174 | -161.6 | 0 | 111.5 | C147 Y151 K157 D158 | C147-K153 PolarHBondContact SG-O 2.84Å; C147-K153 VanDerWaalsContact SG-O 3.37Å; Y151-K153 HydrophobicContact CD1-CB 3.88Å; Y151-K153 HydrophobicContact CE1-CB 3.7Å; Y151-K153 HydrophobicContact CE1-CD 4.27Å; Y151-K153 HydrophobicContact CE1-CG 4.46Å; Y151-K153 PolarHBondContact O-N 2.85Å; K153-K157 VanDerWaalsContact CE-C 3.46Å; K153-K157 WeakPolarHBondContact CE-O 3.39Å; K153-K157 HydrophobicContact CG-CB 4.21Å; K153-K157 PolarHBondContact NZ-O 2.78Å; K153-D158 HydrophobicContact CD-CB 4.14Å; K153-D158 WeakPolarHBondContact CD-OD1 3.31Å; K153-D158 WeakPolarHBondContact CE-OD1 3.38Å; K153-D158 HydrophobicContact CG-CB 4.4Å; K153-D158 IonicContact NZ-OD1 3.95Å; K153-D158 PolarHBondContact NZ-OD1 2.89Å |
| 154 | P | 96.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 77.3 Ų | 77.3 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | trans | -62.4 | 139.5 | 177.9 | -23.6 | 33.1 | 0 | 0 | 0 | 113 | K156 K157 D158 | P154-K156 VanDerWaalsContact C-N 3.31Å; P154-K156 PolarHBondContact O-N 3.26Å; P154-K156 VanDerWaalsContact O-N 3.15Å; P154-K157 HydrophobicContact CB-CG 4.45Å; P154-K157 HydrophobicContact CG-CD 4.24Å; P154-K157 WeakPolarHBondContact O-CA 3.02Å; P154-K157 WeakPolarHBondContact O-CB 3.1Å; P154-K157 PolarHBondContact O-N 3.35Å; P154-D158 PolarHBondContact O-N 2.76Å | ||
| 155 | Y | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 5% | 0.051 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -42.6 | -52 | 179.3 | 176.9 | -100.9 | 0 | 0 | 0 | 113.6 | N72 V102 E145 C147 K157 D158 K159 | N72-Y155 PolarHBondContact ND2-OH 3.03Å; V102-Y155 HydrophobicContact CB-CE2 4.47Å; V102-Y155 HydrophobicContact CG1-CD2 3.63Å; V102-Y155 HydrophobicContact CG1-CE2 3.53Å; V102-Y155 HydrophobicContact CG1-CG 4.32Å; V102-Y155 HydrophobicContact CG2-CD2 4.49Å; V102-Y155 HydrophobicContact CG2-CE2 4.11Å; E145-Y155 VanDerWaalsContact C-CG 3.43Å; E145-Y155 HydrophobicContact CB-CD1 3.84Å; E145-Y155 HydrophobicContact CB-CE1 3.63Å; E145-Y155 HydrophobicContact CB-CG 4.47Å; E145-Y155 HydrophobicContact CG-CE1 3.84Å; E145-Y155 VanDerWaalsContact O-CB 3.3Å; E145-Y155 WeakPolarHBondContact O-CB 3.13Å; E145-Y155 WeakPolarHBondContact O-CD1 3.27Å; E145-Y155 VanDerWaalsContact O-CG 3.26Å; C147-Y155 VanDerWaalsContact SG-CA 3.6Å; Y155-K157 VanDerWaalsContact C-N 3.27Å; Y155-K157 PolarHBondContact O-N 2.93Å; Y155-D158 PolarHBondContact O-N 2.82Å; Y155-K159 PolarHBondContact O-N 2.66Å |
| 156 | K | 96.7 | Very high | 96.6 | Very high | 164 Ų | 164 | 71.3 Ų | 71.3 | 71% | 0.713 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.1 | -30.9 | -179.8 | -66.1 | -174.1 | 178.3 | -178.2 | 0 | 114 | P154 D158 | P154-K156 VanDerWaalsContact C-N 3.31Å; P154-K156 PolarHBondContact O-N 3.26Å; P154-K156 VanDerWaalsContact O-N 3.15Å; K156-D158 VanDerWaalsContact C-N 3.33Å |
| 157 | K | 96.5 | Very high | 96.6 | Very high | 149 Ų | 149 | 72.7 Ų | 72.7 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -80.5 | -18.2 | 177.2 | -68.2 | -170.9 | 175.7 | -178.6 | 0 | 112 | K153 P154 Y155 | K153-K157 VanDerWaalsContact CE-C 3.46Å; K153-K157 WeakPolarHBondContact CE-O 3.39Å; K153-K157 HydrophobicContact CG-CB 4.21Å; K153-K157 PolarHBondContact NZ-O 2.78Å; P154-K157 HydrophobicContact CB-CG 4.45Å; P154-K157 HydrophobicContact CG-CD 4.24Å; P154-K157 WeakPolarHBondContact O-CA 3.02Å; P154-K157 WeakPolarHBondContact O-CB 3.1Å; P154-K157 PolarHBondContact O-N 3.35Å; Y155-K157 VanDerWaalsContact C-N 3.27Å; Y155-K157 PolarHBondContact O-N 2.93Å |
| 158 | D | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -88 | -11.5 | -179.1 | -158 | 52.5 | 0 | 0 | 0 | 114.9 | V102 T103 C113 Y151 K153 P154 Y155 K156 F160 | V102-D158 HydrophobicContact CB-CB 4.34Å; V102-D158 HydrophobicContact CG1-CB 4.22Å; T103-D158 WeakPolarHBondContact CB-OD2 3.49Å; T103-D158 WeakPolarHBondContact CG2-OD2 3.39Å; T103-D158 PolarHBondContact N-OD2 3.3Å; T103-D158 PolarHBondContact OG1-OD2 2.85Å; C113-D158 HydrophobicContact CB-CB 4.28Å; C113-D158 WeakPolarHBondContact CB-OD2 3.47Å; Y151-D158 HydrophobicContact CE1-CB 4.16Å; Y151-D158 PolarHBondContact OH-OD1 2.89Å; Y151-D158 PolarHBondContact OH-OD2 2.67Å; K153-D158 HydrophobicContact CD-CB 4.14Å; K153-D158 WeakPolarHBondContact CD-OD1 3.31Å; K153-D158 WeakPolarHBondContact CE-OD1 3.38Å; K153-D158 HydrophobicContact CG-CB 4.4Å; K153-D158 IonicContact NZ-OD1 3.95Å; K153-D158 PolarHBondContact NZ-OD1 2.89Å; P154-D158 PolarHBondContact O-N 2.76Å; Y155-D158 PolarHBondContact O-N 2.82Å; K156-D158 VanDerWaalsContact C-N 3.33Å; D158-F160 WeakPolarHBondContact O-CD2 3.3Å; D158-F160 WeakPolarHBondContact O-CE2 3.21Å; D158-F160 PolarHBondContact O-N 3.03Å |
| 159 | K | 97.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 8% | 0.078 | 38% | 0.381 | C | S | . | . | trans | -60.7 | 137.7 | 176.7 | -72.6 | -174.2 | 158.6 | -162.1 | 0 | 113 | E99 V102 Y155 Y161 K271 | E99-K159 VanDerWaalsContact O-CD 3.24Å; E99-K159 WeakPolarHBondContact O-CD 3.45Å; E99-K159 VanDerWaalsContact O-CE 3.3Å; E99-K159 WeakPolarHBondContact O-CE 3.34Å; E99-K159 PolarHBondContact O-NZ 2.82Å; V102-K159 HydrophobicContact CG1-CG 3.74Å; Y155-K159 PolarHBondContact O-N 2.66Å; K159-Y161 HydrophobicContact CB-CD2 4.45Å; K159-Y161 HydrophobicContact CB-CE2 3.67Å; K159-Y161 WeakPolarHBondContact CD-OH 3.44Å; K159-K271 WeakPolarHBondContact O-CE 3.37Å; K159-K271 PolarHBondContact O-NZ 2.94Å | ||
| 160 | F | 98 | Very high | 96.9 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 133.1 | 167.5 | -72.3 | -97 | 0 | 0 | 0 | 108.8 | I56 I64 V66 L68 W96 G100 I101 T103 D158 K271 | I56-F160 HydrophobicContact CD1-CB 4.01Å; I56-F160 HydrophobicContact CD1-CD1 4.09Å; I56-F160 HydrophobicContact CD1-CG 4.24Å; I64-F160 HydrophobicContact CG2-CE1 3.85Å; I64-F160 HydrophobicContact CG2-CZ 4.45Å; V66-F160 HydrophobicContact CG1-CE1 4.21Å; V66-F160 HydrophobicContact CG1-CE2 4.11Å; V66-F160 HydrophobicContact CG1-CZ 3.67Å; V66-F160 HydrophobicContact CG2-CD1 4.48Å; V66-F160 HydrophobicContact CG2-CE1 4.32Å; V66-F160 HydrophobicContact CG2-CZ 4.37Å; L68-F160 HydrophobicContact CD2-CB 3.88Å; L68-F160 HydrophobicContact CD2-CD2 4Å; L68-F160 HydrophobicContact CD2-CG 4.11Å; W96-F160 PolarHBondContact NE1-O 2.84Å; G100-F160 CarbonylContact C-O 3.26Å; G100-F160 WeakPolarHBondContact CA-O 3.26Å; I101-F160 PolarHBondContact N-O 3.16Å; I101-F160 PolarHBondContact O-N 3.24Å; T103-F160 HydrophobicContact CG2-CD2 4.22Å; T103-F160 HydrophobicContact CG2-CE2 3.73Å; D158-F160 WeakPolarHBondContact O-CD2 3.3Å; D158-F160 WeakPolarHBondContact O-CE2 3.21Å; D158-F160 PolarHBondContact O-N 3.03Å; F160-K271 VanDerWaalsContact CZ-NZ 3.33Å |
| 161 | Y | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 67.4 Ų | 67.4 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | trans | -112.3 | 147.3 | -173.1 | -63.7 | -96.4 | 0 | 0 | 0 | 111.2 | W96 E99 K159 N268 | W96-Y161 WeakPolarHBondContact O-CA 3.01Å; E99-Y161 VanDerWaalsContact C-CE1 3.46Å; E99-Y161 VanDerWaalsContact O-CE1 3.3Å; E99-Y161 WeakPolarHBondContact O-CE1 3.43Å; K159-Y161 HydrophobicContact CB-CD2 4.45Å; K159-Y161 HydrophobicContact CB-CE2 3.67Å; K159-Y161 WeakPolarHBondContact CD-OH 3.44Å; Y161-N268 WeakPolarHBondContact O-CB 3.28Å; Y161-N268 PolarHBondContact O-N 3.31Å | ||
| 162 | G | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | W96 K97 L266 | W96-G162 VanDerWaalsContact CE2-N 3.35Å; W96-G162 PolarHBondContact O-N 2.79Å; K97-G162 WeakPolarHBondContact CA-O 3.3Å; G162-L266 CarbonylContact C-O 3.55Å |
| 163 | K | 98.1 | Very high | 97.5 | Very high | 145 Ų | 145 | 69.2 Ų | 69.2 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -37 | 165.8 | -177.3 | 176.5 | 179.6 | 178.2 | 0 | 110.9 | L266 N268 | K163-L266 WeakPolarHBondContact CB-O 3.47Å; K163-L266 PolarHBondContact N-O 2.95Å; K163-N268 HydrophobicContact CB-CB 4.17Å |
| 164 | S | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.8 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | G265 L266 | S164-G265 CarbonylContact O-C 3.58Å; S164-G265 WeakPolarHBondContact O-CA 3.41Å; S164-L266 PolarHBondContact N-O 3.43Å; S164-L266 PolarHBondContact O-N 3.02Å; S164-L266 VanDerWaalsContact O-N 3.12Å |
| 165 | S | 98 | Very high | 97.7 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.7 | 170.8 | 48.5 | 0 | 0 | 0 | 0 | 107.3 | D94 | D94-S165 VanDerWaalsContact OD1-CB 3.28Å; D94-S165 WeakPolarHBondContact OD1-CB 3.42Å; D94-S165 PolarHBondContact OD1-OG 3.31Å |
| 166 | Y | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 153.8 | -178.4 | 49.8 | -92.6 | 0 | 0 | 0 | 112.2 | R55 E178 A264 L266 | R55-Y166 PolarHBondContact NH1-OH 3.27Å; Y166-E178 PolarHBondContact OH-OE1 3.09Å; Y166-A264 HydrophobicContact CD2-CB 4.21Å; Y166-A264 HydrophobicContact CE2-CB 3.64Å; Y166-A264 PolarHBondContact N-O 2.83Å; Y166-A264 PolarHBondContact O-N 2.88Å; Y166-A264 VanDerWaalsContact O-O 3.07Å; Y166-L266 HydrophobicContact CE1-CG 4.15Å |
| 167 | N | 97.8 | Very high | 97.6 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 66% | 0.663 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 144.9 | 168 | -59.6 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 168 | V | 98 | Very high | 97.6 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 138.1 | 168.6 | -172.7 | 0 | 0 | 0 | 0 | 108 | S170 I175 E178 V262 A264 | V168-S170 PolarHBondContact O-N 3.05Å; V168-I175 HydrophobicContact CG1-CB 4.5Å; V168-I175 HydrophobicContact CG1-CG1 3.89Å; V168-E178 HydrophobicContact CG1-CB 4.18Å; V168-E178 HydrophobicContact CG2-CB 4.2Å; V168-E178 HydrophobicContact CG2-CG 3.8Å; V168-V262 HydrophobicContact CB-CB 4.05Å; V168-V262 HydrophobicContact CB-CG1 3.82Å; V168-V262 HydrophobicContact CG2-CB 4.43Å; V168-V262 HydrophobicContact CG2-CG1 3.75Å; V168-V262 PolarHBondContact N-O 3.26Å; V168-A264 HydrophobicContact CG2-CB 4.17Å |
| 169 | A | 97.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 140.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E171 | A169-E171 PolarHBondContact O-N 3.07Š|
| 170 | S | 97.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74.2 | 54.2 | -178.7 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | V168 E259 | V168-S170 PolarHBondContact O-N 3.05Å; S170-E259 VanDerWaalsContact CA-O 3.27Å; S170-E259 WeakPolarHBondContact CA-O 3.38Å; S170-E259 VanDerWaalsContact CB-O 3.23Å; S170-E259 WeakPolarHBondContact CB-O 3.44Å; S170-E259 PolarHBondContact OG-O 3.06Å; S170-E259 VanDerWaalsContact OG-O 3.12Å |
| 171 | E | 97 | Very high | 96.9 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -131 | 132.8 | 178.9 | -63 | 176.7 | 172.9 | 0 | 0 | 108.3 | A169 I173 S174 I175 | A169-E171 PolarHBondContact O-N 3.07Å; E171-I173 VanDerWaalsContact C-N 3.28Å; E171-I173 PolarHBondContact O-N 2.83Å; E171-S174 WeakPolarHBondContact O-CB 3.3Å; E171-S174 PolarHBondContact O-N 3Å; E171-S174 PolarHBondContact OE2-OG 3.21Å; E171-I175 PolarHBondContact O-N 2.74Å; E171-I175 VanDerWaalsContact O-N 3.09Å |
| 172 | E | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 61 Ų | 61 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -49.4 | -48.8 | -179 | -173.7 | -167.8 | 149.9 | 0 | 0 | 112.6 | S174 I175 M176 W231 R251 G252 | E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.87Å; E172-I175 PolarHBondContact O-N 3.37Å; E172-M176 HydrophobicContact CG-SD 3.98Å; E172-M176 VanDerWaalsContact O-CG 3.28Å; E172-M176 WeakPolarHBondContact O-CG 3.28Å; E172-M176 PolarHBondContact O-N 3.43Å; E172-W231 HydrophobicContact CG-CH2 4.35Å; E172-W231 HydrophobicContact CG-CZ2 3.93Å; E172-R251 HydrophobicContact CG-CG 3.74Å; E172-R251 IonicContact OE1-CZ 2.67Å; E172-R251 IonicContact OE1-NH1 3.84Å; E172-R251 PolarHBondContact OE1-NH1 3.24Å; E172-G252 WeakPolarHBondContact OE2-CA 3.12Å |
| 173 | I | 97.4 | Very high | 96.5 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 66% | 0.656 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.8 | -37.4 | -179.1 | -64.3 | 174.7 | 0 | 0 | 0 | 111.4 | E171 M176 K177 | E171-I173 VanDerWaalsContact C-N 3.28Å; E171-I173 PolarHBondContact O-N 2.83Å; I173-M176 PolarHBondContact O-N 3.39Å; I173-K177 VanDerWaalsContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CB 3.39Å; I173-K177 PolarHBondContact O-N 2.88Å |
| 174 | S | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 179.2 | -71.1 | 0 | 0 | 0 | 0 | 111.1 | E171 E172 K177 E178 | E171-S174 WeakPolarHBondContact O-CB 3.3Å; E171-S174 PolarHBondContact O-N 3Å; E171-S174 PolarHBondContact OE2-OG 3.21Å; E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.87Å; S174-K177 PolarHBondContact O-N 2.97Å; S174-E178 PolarHBondContact O-N 2Å |
| 175 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 176.1 | -60.5 | 161.5 | 0 | 0 | 0 | 111.1 | V168 E171 E172 K177 E178 I179 V185 W231 E259 V262 | V168-I175 HydrophobicContact CG1-CB 4.5Å; V168-I175 HydrophobicContact CG1-CG1 3.89Å; E171-I175 PolarHBondContact O-N 2.74Å; E171-I175 VanDerWaalsContact O-N 3.09Å; E172-I175 PolarHBondContact O-N 3.37Å; I175-K177 VanDerWaalsContact C-N 3.32Å; I175-K177 PolarHBondContact O-N 3.3Å; I175-E178 PolarHBondContact O-N 3.01Å; I175-I179 HydrophobicContact CG2-CD1 3.85Å; I175-I179 HydrophobicContact CG2-CG1 4.5Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 3.29Å; I175-V185 HydrophobicContact CG2-CG2 4.47Å; I175-W231 HydrophobicContact CB-CH2 3.7Å; I175-W231 HydrophobicContact CB-CZ2 4.04Å; I175-W231 HydrophobicContact CD1-CZ2 4.36Å; I175-W231 HydrophobicContact CG2-CH2 3.51Å; I175-W231 HydrophobicContact CG2-CZ2 3.96Å; I175-W231 HydrophobicContact CG2-CZ3 3.89Å; I175-E259 HydrophobicContact CD1-CB 3.73Å; I175-E259 HydrophobicContact CD1-CG 3.7Å; I175-V262 HydrophobicContact CD1-CG2 3.76Å; I175-V262 HydrophobicContact CG1-CB 4.36Å; I175-V262 HydrophobicContact CG1-CG1 4.38Å; I175-V262 HydrophobicContact CG1-CG2 4.07Å; I175-V262 HydrophobicContact CG2-CG1 4.46Å |
| 176 | M | 96.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 175.5 | -69.2 | 166.1 | 77.1 | 0 | 0 | 111.3 | E172 I173 I179 L180 W221 W231 | E172-M176 HydrophobicContact CG-SD 3.98Å; E172-M176 VanDerWaalsContact O-CG 3.28Å; E172-M176 WeakPolarHBondContact O-CG 3.28Å; E172-M176 PolarHBondContact O-N 3.43Å; I173-M176 PolarHBondContact O-N 3.39Å; M176-I179 PolarHBondContact O-N 3.26Å; M176-L180 WeakPolarHBondContact O-CB 3.29Å; M176-L180 PolarHBondContact O-N 3.29Å; M176-W221 HydrophobicContact CB-CD2 4.37Å; M176-W221 HydrophobicContact CB-CE3 4.39Å; M176-W221 HydrophobicContact CB-CH2 3.99Å; M176-W221 HydrophobicContact CB-CZ2 3.89Å; M176-W221 HydrophobicContact CB-CZ3 4.25Å; M176-W221 HydrophobicContact CE-CD2 4.33Å; M176-W221 HydrophobicContact CE-CG 4.41Å; M176-W221 HydrophobicContact CE-CZ2 3.94Å; M176-W221 HydrophobicContact CG-CD2 3.9Å; M176-W221 HydrophobicContact CG-CE3 4.24Å; M176-W221 HydrophobicContact CG-CG 4.29Å; M176-W221 HydrophobicContact CG-CZ2 4.18Å; M176-W221 WeakPolarHBondContact O-CH2 3.49Å; M176-W221 WeakPolarHBondContact O-CZ3 3.31Å; M176-W231 HydrophobicContact CB-CH2 4.48Å; M176-W231 HydrophobicContact CG-CH2 3.56Å; M176-W231 HydrophobicContact CG-CZ3 3.88Å |
| 177 | K | 96.1 | Very high | 95.9 | Very high | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | -179.6 | -176.5 | 179.2 | 178.8 | -176.1 | 0 | 111.7 | I173 S174 I175 L180 L181 | I173-K177 VanDerWaalsContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CB 3.39Å; I173-K177 PolarHBondContact O-N 2.88Å; S174-K177 PolarHBondContact O-N 2.97Å; I175-K177 VanDerWaalsContact C-N 3.32Å; I175-K177 PolarHBondContact O-N 3.3Å; K177-L180 PolarHBondContact O-N 3.11Å; K177-L181 HydrophobicContact CD-CD1 4.44Å; K177-L181 HydrophobicContact CG-CD1 3.73Å; K177-L181 HydrophobicContact CG-CG 4.39Å; K177-L181 WeakPolarHBondContact O-CB 3.5Å; K177-L181 VanDerWaalsContact O-CG 3.3Å; K177-L181 WeakPolarHBondContact O-CG 3.23Å; K177-L181 PolarHBondContact O-N 3.08Å; K177-L181 VanDerWaalsContact O-N 3.08Å |
| 178 | E | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 176.6 | 175.9 | 60.7 | -164.9 | 0 | 0 | 111.3 | R55 Y166 V168 S174 I175 L180 L181 N182 V185 A264 | R55-E178 IonicContact CZ-OE1 3.83Å; R55-E178 VanDerWaalsContact CZ-OE1 3.29Å; R55-E178 IonicContact NH1-OE1 3.03Å; R55-E178 PolarHBondContact NH1-OE1 3.26Å; R55-E178 IonicContact NH2-OE1 3.12Å; R55-E178 PolarHBondContact NH2-OE1 3.21Å; Y166-E178 PolarHBondContact OH-OE1 3.09Å; V168-E178 HydrophobicContact CG1-CB 4.18Å; V168-E178 HydrophobicContact CG2-CB 4.2Å; V168-E178 HydrophobicContact CG2-CG 3.8Å; S174-E178 PolarHBondContact O-N 2Å; I175-E178 PolarHBondContact O-N 3.01Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 3.1Å; E178-L181 PolarHBondContact O-N 3Å; E178-N182 WeakPolarHBondContact O-CB 3.33Å; E178-N182 PolarHBondContact O-N 3.39Å; E178-N182 WeakPolarHBondContact OE1-CB 3.48Å; E178-N182 PolarHBondContact OE1-ND2 2.98Å; E178-N182 PolarHBondContact OE2-ND2 2.76Å; E178-V185 HydrophobicContact CB-CG1 4.38Å; E178-V185 HydrophobicContact CG-CG1 3.48Å; E178-V185 VanDerWaalsContact CG-CG1 3.48Å; E178-A264 HydrophobicContact CG-CB 4.33Å |
| 179 | I | 94.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 179.4 | -65.7 | 169.7 | 0 | 0 | 0 | 110.4 | L13 I175 M176 L181 G183 V185 I218 W221 W231 | L13-I179 HydrophobicContact CD1-CG2 3.43Å; L13-I179 VanDerWaalsContact CD1-CG2 3.43Å; L13-I179 HydrophobicContact CG-CG2 3.98Å; I175-I179 HydrophobicContact CG2-CD1 3.85Å; I175-I179 HydrophobicContact CG2-CG1 4.5Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 3.29Å; M176-I179 PolarHBondContact O-N 3.26Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.47Å; I179-G183 WeakPolarHBondContact CA-O 3.45Å; I179-G183 PolarHBondContact O-N 3.08Å; I179-G183 VanDerWaalsContact O-N 3.11Å; I179-V185 HydrophobicContact CD1-CG2 3.94Å; I179-V185 HydrophobicContact CG1-CG1 3.98Å; I179-V185 HydrophobicContact CG1-CG2 3.86Å; I179-I218 HydrophobicContact CD1-CB 4.12Å; I179-I218 HydrophobicContact CD1-CG2 3.63Å; I179-W221 HydrophobicContact CB-CZ3 3.8Å; I179-W221 HydrophobicContact CG2-CE3 4.3Å; I179-W221 HydrophobicContact CG2-CZ3 3.68Å; I179-W231 HydrophobicContact CD1-CZ3 4.14Å |
| 180 | L | 90.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -43 | -179.9 | -170.9 | 59.7 | 0 | 0 | 0 | 113 | I11 M176 K177 E178 W221 | I11-L180 HydrophobicContact CG2-CD1 4.18Å; M176-L180 WeakPolarHBondContact O-CB 3.29Å; M176-L180 PolarHBondContact O-N 3.29Å; K177-L180 PolarHBondContact O-N 3.11Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 3.1Å; L180-W221 HydrophobicContact CB-CH2 4.03Å; L180-W221 HydrophobicContact CD1-CH2 4.47Å |
| 181 | L | 92.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 40.3 Ų | 40.3 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -89.2 | -35.6 | -171.1 | -66.8 | 176.9 | 0 | 0 | 0 | 112.6 | K177 E178 I179 | K177-L181 HydrophobicContact CD-CD1 4.44Å; K177-L181 HydrophobicContact CG-CD1 3.73Å; K177-L181 HydrophobicContact CG-CG 4.39Å; K177-L181 WeakPolarHBondContact O-CB 3.5Å; K177-L181 VanDerWaalsContact O-CG 3.3Å; K177-L181 WeakPolarHBondContact O-CG 3.23Å; K177-L181 PolarHBondContact O-N 3.08Å; K177-L181 VanDerWaalsContact O-N 3.08Å; E178-L181 PolarHBondContact O-N 3Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.47Å |
| 182 | N | 94.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -122.4 | -9.6 | -163.4 | -63.8 | -49.9 | 0 | 0 | 0 | 114.4 | R55 H59 E178 L266 | R55-N182 WeakPolarHBondContact CG-O 3.37Å; H59-N182 PolarHBondContact CE1-OD1 3.45Å; H59-N182 PolarHBondContact NE2-O 2.9Å; E178-N182 WeakPolarHBondContact O-CB 3.33Å; E178-N182 PolarHBondContact O-N 3.39Å; E178-N182 WeakPolarHBondContact OE1-CB 3.48Å; E178-N182 PolarHBondContact OE1-ND2 2.98Å; E178-N182 PolarHBondContact OE2-ND2 2.76Å; N182-L266 HydrophobicContact CB-CD2 4.3Å |
| 183 | G | 91.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | 102.4 | -175.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L13 R55 I179 | L13-G183 VanDerWaalsContact CD1-CA 3.43Å; R55-G183 PolarHBondContact NH2-O 3.06Å; I179-G183 WeakPolarHBondContact CA-O 3.45Å; I179-G183 PolarHBondContact O-N 3.08Å; I179-G183 VanDerWaalsContact O-N 3.11Å | ||
| 184 | P | 94.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | trans | -57.6 | 153.4 | -174.8 | -28.2 | 41.8 | 0 | 0 | 0 | 113 | L13 D54 R55 R217 I218 I219 | L13-P184 HydrophobicContact CB-CG 4.27Å; L13-P184 HydrophobicContact CD1-CB 4.48Å; L13-P184 VanDerWaalsContact CD1-CD 3.41Å; L13-P184 HydrophobicContact CD1-CG 3.64Å; L13-P184 VanDerWaalsContact CD1-N 3.28Å; D54-P184 HydrophobicContact CB-CG 4.05Å; D54-P184 VanDerWaalsContact OD2-CG 3.29Å; D54-P184 WeakPolarHBondContact OD2-CG 3.08Å; R55-P184 VanDerWaalsContact CZ-O 3.29Å; R55-P184 PolarHBondContact NE-O 2.88Å; R55-P184 PolarHBondContact NH2-O 3.36Å; P184-R217 HydrophobicContact CB-CG 3.73Å; P184-I218 WeakPolarHBondContact CA-O 3.39Å; P184-I219 HydrophobicContact CB-CG2 4.01Å; P184-I219 HydrophobicContact CG-CB 4.47Å; P184-I219 HydrophobicContact CG-CG2 4.07Å | ||
| 185 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.6 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | R55 I175 E178 I179 R217 I218 V262 A264 | R55-V185 VanDerWaalsContact NH2-CG1 3.29Å; I175-V185 HydrophobicContact CG2-CG2 4.47Å; E178-V185 HydrophobicContact CB-CG1 4.38Å; E178-V185 HydrophobicContact CG-CG1 3.48Å; E178-V185 VanDerWaalsContact CG-CG1 3.48Å; I179-V185 HydrophobicContact CD1-CG2 3.94Å; I179-V185 HydrophobicContact CG1-CG1 3.98Å; I179-V185 HydrophobicContact CG1-CG2 3.86Å; V185-R217 CarbonylContact O-C 3.44Å; V185-R217 WeakPolarHBondContact O-CA 3.13Å; V185-I218 HydrophobicContact CG2-CB 3.74Å; V185-I218 HydrophobicContact CG2-CD1 4.17Å; V185-I218 HydrophobicContact CG2-CG1 4.19Å; V185-I218 PolarHBondContact N-O 2.83Å; V185-I218 PolarHBondContact O-N 2.95Å; V185-V262 HydrophobicContact CB-CG1 3.7Å; V185-V262 HydrophobicContact CG1-CG1 4.22Å; V185-V262 HydrophobicContact CG2-CG1 3.49Å; V185-V262 VanDerWaalsContact CG2-CG1 3.49Å; V185-A264 HydrophobicContact CG1-CB 4.07Å |
| 186 | E | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.3 | 168.1 | -174.8 | 175 | -152.9 | 0 | 0 | 109.1 | A48 P89 W93 I216 V262 T263 | A48-E186 WeakPolarHBondContact CB-OE2 3.03Å; A48-E186 PolarHBondContact N-OE1 3.45Å; A48-E186 VanDerWaalsContact N-OE1 3.08Å; P89-E186 HydrophobicContact CB-CG 4.3Å; P89-E186 WeakPolarHBondContact CB-OE2 3.35Å; W93-E186 HydrophobicContact CZ2-CB 4.03Å; W93-E186 PolarHBondContact NE1-OE2 3.3Å; E186-I216 WeakPolarHBondContact CA-O 3.49Å; E186-V262 CarbonylContact O-C 3.36Å; E186-V262 WeakPolarHBondContact O-CA 3.39Å; E186-T263 PolarHBondContact N-O 3.35Å; E186-T263 PolarHBondContact O-N 2.92Å |
| 187 | G | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 155.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A215 I216 M261 | G187-A215 CarbonylContact O-C 3.19Å; G187-A215 VanDerWaalsContact O-CA 3.28Å; G187-A215 WeakPolarHBondContact O-CA 2.92Å; G187-I216 PolarHBondContact N-O 3.01Å; G187-I216 PolarHBondContact O-N 2.78Å; G187-M261 WeakPolarHBondContact CA-O 3.39Å |
| 188 | G | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H214 M261 | G188-H214 CarbonylContact C-O 3.59Å; G188-H214 VanDerWaalsContact CA-O 3.29Å; G188-H214 WeakPolarHBondContact CA-O 3.27Å; G188-M261 PolarHBondContact N-O 3.45Å; G188-M261 VanDerWaalsContact N-O 3.13Å |
| 189 | F | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 164.3 | 175.1 | 76.7 | -69.4 | 0 | 0 | 0 | 111.8 | V191 F195 G213 H214 I216 F247 I249 C256 I258 | F189-V191 HydrophobicContact CE1-CG2 4.39Å; F189-V191 HydrophobicContact CE2-CG2 3.84Å; F189-V191 HydrophobicContact CZ-CG2 3.74Å; F189-F195 HydrophobicContact CE2-CD1 4.31Å; F189-F195 HydrophobicContact CE2-CD2 4.11Å; F189-F195 HydrophobicContact CE2-CE1 4.17Å; F189-F195 AromaticContact CE2-CE2 3.96Å; F189-F195 HydrophobicContact CE2-CE2 3.96Å; F189-F195 HydrophobicContact CE2-CG 4.27Å; F189-F195 AromaticContact CE2-CZ 3.98Å; F189-F195 HydrophobicContact CE2-CZ 3.98Å; F189-F195 HydrophobicContact CZ-CD1 4.15Å; F189-F195 HydrophobicContact CZ-CD2 4.42Å; F189-F195 AromaticContact CZ-CE1 3.61Å; F189-F195 HydrophobicContact CZ-CE1 3.61Å; F189-F195 AromaticContact CZ-CE2 3.92Å; F189-F195 HydrophobicContact CZ-CE2 3.92Å; F189-F195 AromaticContact CZ-CZ 3.47Å; F189-F195 HydrophobicContact CZ-CZ 3.47Å; F189-F195 VanDerWaalsContact CZ-CZ 3.47Å; F189-G213 CarbonylContact O-C 3.37Å; F189-H214 HydrophobicContact CD1-CB 4.31Å; F189-H214 WeakPolarHBondContact CD1-O 3.24Å; F189-H214 HydrophobicContact CE1-CB 3.83Å; F189-H214 AromaticContact CE1-CD2 3.68Å; F189-H214 HydrophobicContact CZ-CB 4.27Å; F189-H214 AromaticContact CZ-CD2 3.98Å; F189-H214 PolarHBondContact N-O 3.25Å; F189-H214 PolarHBondContact O-N 2.67Å; F189-I216 HydrophobicContact CD1-CG1 4.04Å; F189-I216 HydrophobicContact CD1-CG2 4.39Å; F189-I216 HydrophobicContact CE1-CG1 4.14Å; F189-I216 HydrophobicContact CE1-CG2 3.72Å; F189-F247 AromaticContact CE1-CZ 3.99Å; F189-F247 HydrophobicContact CE1-CZ 3.99Å; F189-F247 HydrophobicContact CZ-CE2 4.38Å; F189-F247 HydrophobicContact CZ-CZ 4.09Å; F189-I249 HydrophobicContact CD2-CD1 4.14Å; F189-C256 CarbonylContact C-O 3.57Å; F189-C256 WeakPolarHBondContact CA-O 3.26Å; F189-C256 HydrophobicContact CB-CB 4.37Å; F189-C256 WeakPolarHBondContact CB-O 3.28Å; F189-C256 HydrophobicContact CD2-CB 4.09Å; F189-I258 HydrophobicContact CB-CB 4.13Å; F189-I258 HydrophobicContact CB-CD1 3.79Å; F189-I258 HydrophobicContact CD1-CD1 4.14Å; F189-I258 HydrophobicContact CG-CD1 4.12Å |
| 190 | Y | 95.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 39 Ų | 39 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.9 | 175.6 | -60.4 | -45 | 0 | 0 | 0 | 110.8 | Y210 C256 | Y190-Y210 AromaticContact CD1-CE2 3.55Å; Y190-Y210 HydrophobicContact CD1-CE2 3.55Å; Y190-Y210 HydrophobicContact CE1-CE2 4.38Å; Y190-Y210 AromaticContact CG-CE2 3.84Å; Y190-Y210 HydrophobicContact CG-CE2 3.84Å; Y190-C256 WeakPolarHBondContact CD2-O 3.33Å; Y190-C256 PolarHBondContact N-O 3.14Å; Y190-C256 WeakPolarHBondContact O-CB 3.32Å |
| 191 | V | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.8 | 175 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | F40 F189 F195 L196 L211 G212 H214 | F40-V191 HydrophobicContact CZ-CG1 4.47Å; F189-V191 HydrophobicContact CE1-CG2 4.39Å; F189-V191 HydrophobicContact CE2-CG2 3.84Å; F189-V191 HydrophobicContact CZ-CG2 3.74Å; V191-F195 HydrophobicContact CG1-CB 4.23Å; V191-F195 HydrophobicContact CG1-CD1 4Å; V191-F195 HydrophobicContact CG1-CG 4.5Å; V191-F195 HydrophobicContact CG2-CD1 4.26Å; V191-L196 HydrophobicContact CG1-CD2 4.02Å; V191-L211 HydrophobicContact CG1-CB 4.26Å; V191-L211 HydrophobicContact CG1-CD1 4.21Å; V191-L211 PolarHBondContact O-N 2.92Å; V191-G212 PolarHBondContact N-O 2.94Å; V191-H214 HydrophobicContact CG2-CB 3.31Å |
| 192 | Y | 96 | Very high | 94.7 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 162.9 | 171.8 | -65.9 | -94.7 | 0 | 0 | 0 | 109.7 | D194 F195 H205 S209 Y210 C256 | Y192-D194 VanDerWaalsContact CB-OD1 3.29Å; Y192-D194 WeakPolarHBondContact CB-OD1 2.92Å; Y192-D194 PolarHBondContact O-N 3.11Å; Y192-F195 WeakPolarHBondContact O-CB 3.3Å; Y192-F195 PolarHBondContact O-N 2.74Å; Y192-F195 VanDerWaalsContact O-N 3.08Å; Y192-H205 VanDerWaalsContact CB-CE1 3.49Å; Y192-H205 WeakPolarHBondContact CB-CE1 3.37Å; Y192-H205 VanDerWaalsContact CB-ND1 3.31Å; Y192-H205 WeakPolarHBondContact CB-ND1 3.35Å; Y192-H205 AromaticContact CD1-CE1 3.39Å; Y192-H205 WeakPolarHBondContact CD1-CE1 3.41Å; Y192-H205 AromaticContact CD1-ND1 3.88Å; Y192-H205 AromaticContact CD1-NE2 3.58Å; Y192-H205 HydrophobicContact CD2-CB 4.3Å; Y192-H205 AromaticContact CD2-CG 3.9Å; Y192-H205 AromaticContact CD2-ND1 3.89Å; Y192-H205 AromaticContact CE1-NE2 3.87Å; Y192-H205 AromaticContact CG-CE1 3.44Å; Y192-H205 VanDerWaalsContact CG-CE1 3.44Å; Y192-H205 AromaticContact CG-CG 3.87Å; Y192-H205 AromaticContact CG-ND1 3.43Å; Y192-H205 AromaticContact CG-NE2 3.93Å; Y192-S209 VanDerWaalsContact CA-O 3.31Å; Y192-S209 WeakPolarHBondContact CA-O 3.25Å; Y192-Y210 HydrophobicContact CE1-CD2 4.42Å; Y192-C256 HydrophobicContact CE2-CB 4.45Å |
| 193 | E | 94 | Very high | 94.9 | Very high | 86 Ų | 86 | 32.8 Ų | 32.8 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.7 | -176.4 | -67.7 | 167.3 | 159.6 | 0 | 0 | 113.7 | F195 L196 N197 G208 S209 L211 | E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 3.42Å; E193-L196 PolarHBondContact O-N 2.92Å; E193-N197 PolarHBondContact O-ND2 3.37Å; E193-G208 WeakPolarHBondContact OE2-CA 3.42Å; E193-S209 VanDerWaalsContact CD-N 3.26Å; E193-S209 PolarHBondContact N-O 2.85Å; E193-S209 VanDerWaalsContact N-O 3.11Å; E193-S209 PolarHBondContact OE2-N 3.24Å; E193-L211 HydrophobicContact CB-CD1 4.48Å; E193-L211 HydrophobicContact CG-CD1 4.05Å; E193-L211 HydrophobicContact CG-CD2 3.8Å; E193-L211 HydrophobicContact CG-CG 4.01Å |
| 194 | D | 95.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -32.8 | 177.8 | 58.7 | -11.6 | 0 | 0 | 0 | 113 | Y192 L196 N197 Y203 H205 I206 T207 | Y192-D194 VanDerWaalsContact CB-OD1 3.29Å; Y192-D194 WeakPolarHBondContact CB-OD1 2.92Å; Y192-D194 PolarHBondContact O-N 3.11Å; D194-L196 VanDerWaalsContact C-N 3.26Å; D194-L196 PolarHBondContact O-N 3.08Å; D194-N197 PolarHBondContact O-N 2.84Å; D194-N197 VanDerWaalsContact O-N 3.1Å; D194-Y203 PolarHBondContact OD1-OH 2.87Å; D194-H205 IonicContact OD1-CE1 3.31Å; D194-H205 IonicContact OD1-ND1 2.82Å; D194-H205 PolarHBondContact OD1-ND1 3.45Å; D194-H205 IonicContact OD2-CE1 2.76Å; D194-H205 IonicContact OD2-CG 3.49Å; D194-H205 IonicContact OD2-ND1 2.93Å; D194-H205 PolarHBondContact OD2-ND1 2.88Å; D194-H205 VanDerWaalsContact OD2-ND1 3.12Å; D194-I206 PolarHBondContact OD2-N 3.35Å; D194-T207 HydrophobicContact CB-CG2 4.14Å; D194-T207 VanDerWaalsContact CB-O 3.23Å; D194-T207 WeakPolarHBondContact CB-O 3.3Å; D194-T207 PolarHBondContact OD2-N 3.03Å; D194-T207 VanDerWaalsContact OD2-N 3.16Å; D194-T207 VanDerWaalsContact OD2-O 3.12Å |
| 195 | F | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -59.3 | -34.8 | 176.7 | -175.3 | -103.1 | 0 | 0 | 0 | 113 | F189 V191 Y192 E193 N197 Y198 Y203 W237 W241 F247 | F189-F195 HydrophobicContact CE2-CD1 4.31Å; F189-F195 HydrophobicContact CE2-CD2 4.11Å; F189-F195 HydrophobicContact CE2-CE1 4.17Å; F189-F195 AromaticContact CE2-CE2 3.96Å; F189-F195 HydrophobicContact CE2-CE2 3.96Å; F189-F195 HydrophobicContact CE2-CG 4.27Å; F189-F195 AromaticContact CE2-CZ 3.98Å; F189-F195 HydrophobicContact CE2-CZ 3.98Å; F189-F195 HydrophobicContact CZ-CD1 4.15Å; F189-F195 HydrophobicContact CZ-CD2 4.42Å; F189-F195 AromaticContact CZ-CE1 3.61Å; F189-F195 HydrophobicContact CZ-CE1 3.61Å; F189-F195 AromaticContact CZ-CE2 3.92Å; F189-F195 HydrophobicContact CZ-CE2 3.92Å; F189-F195 AromaticContact CZ-CZ 3.47Å; F189-F195 HydrophobicContact CZ-CZ 3.47Å; F189-F195 VanDerWaalsContact CZ-CZ 3.47Å; V191-F195 HydrophobicContact CG1-CB 4.23Å; V191-F195 HydrophobicContact CG1-CD1 4Å; V191-F195 HydrophobicContact CG1-CG 4.5Å; V191-F195 HydrophobicContact CG2-CD1 4.26Å; Y192-F195 WeakPolarHBondContact O-CB 3.3Å; Y192-F195 PolarHBondContact O-N 2.74Å; Y192-F195 VanDerWaalsContact O-N 3.08Å; E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 3.42Å; F195-N197 PolarHBondContact O-N 2.81Å; F195-N197 VanDerWaalsContact O-N 3.11Å; F195-Y198 WeakPolarHBondContact O-CB 2.93Å; F195-Y198 PolarHBondContact O-N 3.46Å; F195-Y203 HydrophobicContact CB-CE1 4.43Å; F195-Y203 HydrophobicContact CB-CE2 3.83Å; F195-Y203 AromaticContact CD2-CD1 3.71Å; F195-Y203 HydrophobicContact CD2-CD1 3.71Å; F195-Y203 AromaticContact CD2-CD2 3.86Å; F195-Y203 HydrophobicContact CD2-CD2 3.86Å; F195-Y203 AromaticContact CD2-CE1 3.68Å; F195-Y203 HydrophobicContact CD2-CE1 3.68Å; F195-Y203 AromaticContact CD2-CE2 3.82Å; F195-Y203 HydrophobicContact CD2-CE2 3.82Å; F195-Y203 AromaticContact CD2-CG 3.81Å; F195-Y203 HydrophobicContact CD2-CG 3.81Å; F195-Y203 AromaticContact CD2-CZ 3.74Å; F195-Y203 HydrophobicContact CE2-CD1 4.15Å; F195-Y203 HydrophobicContact CE2-CE1 4.45Å; F195-Y203 HydrophobicContact CE2-CG 4.28Å; F195-Y203 HydrophobicContact CG-CE1 4.45Å; F195-Y203 HydrophobicContact CG-CE2 4.34Å; F195-W237 AromaticContact CD1-CH2 3.91Å; F195-W237 HydrophobicContact CD1-CH2 3.91Å; F195-W237 AromaticContact CD1-CZ3 3.96Å; F195-W237 HydrophobicContact CD1-CZ3 3.96Å; F195-W237 AromaticContact CE1-CH2 3.77Å; F195-W237 HydrophobicContact CE1-CH2 3.77Å; F195-W237 AromaticContact CE1-CZ3 3.67Å; F195-W237 HydrophobicContact CE1-CZ3 3.67Å; F195-W241 HydrophobicContact CD1-CZ2 4.18Å; F195-W241 AromaticContact CE1-CH2 3.72Å; F195-W241 HydrophobicContact CE1-CH2 3.72Å; F195-W241 AromaticContact CE1-CZ2 3.6Å; F195-W241 HydrophobicContact CE1-CZ2 3.6Å; F195-W241 AromaticContact CE2-CH2 3.97Å; F195-W241 HydrophobicContact CE2-CH2 3.97Å; F195-W241 HydrophobicContact CE2-CZ2 4.29Å; F195-W241 AromaticContact CZ-CH2 3.33Å; F195-W241 HydrophobicContact CZ-CH2 3.33Å; F195-W241 AromaticContact CZ-CZ2 3.68Å; F195-W241 HydrophobicContact CZ-CZ2 3.68Å; F195-W241 HydrophobicContact CZ-CZ3 4.43Å; F195-F247 AromaticContact CE2-CD2 3.69Å; F195-F247 HydrophobicContact CE2-CD2 3.69Å; F195-F247 AromaticContact CE2-CE2 3.84Å; F195-F247 HydrophobicContact CE2-CE2 3.84Å; F195-F247 HydrophobicContact CE2-CG 4.12Å; F195-F247 HydrophobicContact CE2-CZ 4.39Å; F195-F247 HydrophobicContact CZ-CD1 4.18Å; F195-F247 AromaticContact CZ-CD2 3.97Å; F195-F247 HydrophobicContact CZ-CD2 3.97Å; F195-F247 HydrophobicContact CZ-CE1 4.16Å; F195-F247 AromaticContact CZ-CE2 3.95Å; F195-F247 HydrophobicContact CZ-CE2 3.95Å; F195-F247 HydrophobicContact CZ-CG 4.08Å; F195-F247 HydrophobicContact CZ-CZ 4.03Å |
| 196 | L | 91.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -59.4 | -27.8 | 179.4 | -54.6 | -173.8 | 0 | 0 | 0 | 112.2 | F40 H124 V191 E193 D194 L211 W237 W241 | F40-L196 HydrophobicContact CE2-CD2 4.38Å; F40-L196 HydrophobicContact CZ-CD2 3.97Å; H124-L196 WeakPolarHBondContact CB-O 3.45Å; V191-L196 HydrophobicContact CG1-CD2 4.02Å; E193-L196 PolarHBondContact O-N 2.92Å; D194-L196 VanDerWaalsContact C-N 3.26Å; D194-L196 PolarHBondContact O-N 3.08Å; L196-L211 HydrophobicContact CD1-CD1 3.55Å; L196-L211 HydrophobicContact CD2-CD1 4.16Å; L196-L211 HydrophobicContact CG-CD1 3.87Å; L196-W237 HydrophobicContact CD2-CH2 3.78Å; L196-W237 HydrophobicContact CD2-CZ3 4.15Å; L196-W241 PolarHBondContact O-NE1 3.42Å |
| 197 | N | 91.5 | Very high | 95.4 | Very high | 117 Ų | 117 | 52.4 Ų | 52.4 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -93.9 | 4.6 | -179 | -61.5 | -65.2 | 0 | 0 | 0 | 113.3 | E193 D194 F195 K199 | E193-N197 PolarHBondContact O-ND2 3.37Å; D194-N197 PolarHBondContact O-N 2.84Å; D194-N197 VanDerWaalsContact O-N 3.1Å; F195-N197 PolarHBondContact O-N 2.81Å; F195-N197 VanDerWaalsContact O-N 3.11Å; N197-K199 PolarHBondContact O-N 3.23Å |
| 198 | Y | 94.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | trans | -55.8 | 135.6 | 176.9 | 173.9 | -89.8 | 0 | 0 | 0 | 111.2 | F195 G201 W241 F247 K248 | F195-Y198 WeakPolarHBondContact O-CB 2.93Å; F195-Y198 PolarHBondContact O-N 3.46Å; Y198-G201 WeakPolarHBondContact CE2-O 3.27Å; Y198-G201 PolarHBondContact OH-O 3.29Å; Y198-W241 AromaticContact CD1-CH2 3.66Å; Y198-W241 HydrophobicContact CD1-CH2 3.66Å; Y198-W241 HydrophobicContact CD1-CZ2 4.01Å; Y198-W241 HydrophobicContact CD1-CZ3 4.13Å; Y198-W241 HydrophobicContact CE1-CH2 4.44Å; Y198-W241 HydrophobicContact CG-CH2 4.25Å; Y198-W241 HydrophobicContact CG-CZ2 4.36Å; Y198-F247 HydrophobicContact CD1-CB 3.81Å; Y198-F247 HydrophobicContact CE1-CB 3.35Å; Y198-F247 HydrophobicContact CE2-CB 4.29Å; Y198-F247 HydrophobicContact CG-CB 4.48Å; Y198-F247 WeakPolarHBondContact OH-CA 3.32Å; Y198-K248 PolarHBondContact OH-N 2.99Å | ||
| 199 | K | 93.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | trans | -126.1 | -44.4 | 176.5 | -60.6 | -60.6 | 172 | -162.9 | 0 | 112.4 | H124 N197 G242 D243 | H124-K199 PolarHBondContact O-NZ 3.43Å; N197-K199 PolarHBondContact O-N 3.23Å; K199-G242 CarbonylContact O-C 3.55Å; K199-D243 PolarHBondContact O-N 3.11Å | ||
| 200 | S | 94.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 62% | 0.622 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -165.4 | 173.5 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 201 | G | 95.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 92.4 | -169.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y198 K248 | Y198-G201 WeakPolarHBondContact CE2-O 3.27Å; Y198-G201 PolarHBondContact OH-O 3.29Å; G201-K248 WeakPolarHBondContact O-CB 3.48Å |
| 202 | V | 97.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.2 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | Q224 I228 Y230 K248 L250 | V202-Q224 HydrophobicContact CG2-CB 3.98Å; V202-Q224 VanDerWaalsContact CG2-OE1 3.31Å; V202-I228 HydrophobicContact CB-CG2 3.98Å; V202-I228 HydrophobicContact CG1-CG2 3.97Å; V202-I228 HydrophobicContact CG2-CG2 3.92Å; V202-Y230 HydrophobicContact CG2-CD1 4.09Å; V202-Y230 HydrophobicContact CG2-CG 4.28Å; V202-K248 HydrophobicContact CG2-CB 4.37Å; V202-L250 HydrophobicContact CG1-CB 4.16Å |
| 203 | Y | 98.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 134.3 | 174.8 | 174.2 | -104.3 | 0 | 0 | 0 | 110.7 | D194 F195 K248 I249 L250 | D194-Y203 PolarHBondContact OD1-OH 2.87Å; F195-Y203 HydrophobicContact CB-CE1 4.43Å; F195-Y203 HydrophobicContact CB-CE2 3.83Å; F195-Y203 AromaticContact CD2-CD1 3.71Å; F195-Y203 HydrophobicContact CD2-CD1 3.71Å; F195-Y203 AromaticContact CD2-CD2 3.86Å; F195-Y203 HydrophobicContact CD2-CD2 3.86Å; F195-Y203 AromaticContact CD2-CE1 3.68Å; F195-Y203 HydrophobicContact CD2-CE1 3.68Å; F195-Y203 AromaticContact CD2-CE2 3.82Å; F195-Y203 HydrophobicContact CD2-CE2 3.82Å; F195-Y203 AromaticContact CD2-CG 3.81Å; F195-Y203 HydrophobicContact CD2-CG 3.81Å; F195-Y203 AromaticContact CD2-CZ 3.74Å; F195-Y203 HydrophobicContact CE2-CD1 4.15Å; F195-Y203 HydrophobicContact CE2-CE1 4.45Å; F195-Y203 HydrophobicContact CE2-CG 4.28Å; F195-Y203 HydrophobicContact CG-CE1 4.45Å; F195-Y203 HydrophobicContact CG-CE2 4.34Å; Y203-K248 VanDerWaalsContact CB-O 3.3Å; Y203-K248 WeakPolarHBondContact CB-O 3.5Å; Y203-K248 PolarHBondContact N-O 2.93Å; Y203-I249 HydrophobicContact CD1-CB 4.49Å; Y203-I249 HydrophobicContact CD1-CD1 3.84Å; Y203-I249 HydrophobicContact CD1-CG1 3.93Å; Y203-I249 HydrophobicContact CE1-CD1 4.2Å; Y203-L250 PolarHBondContact O-N 3.46Å |
| 204 | K | 97.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | trans | -143.7 | 133.2 | 167.7 | -179.5 | -174.1 | -178.9 | 175.9 | 0 | 105.3 | I206 L250 | K204-I206 PolarHBondContact O-N 3.12Å; K204-L250 HydrophobicContact CD-CD2 4.06Å; K204-L250 HydrophobicContact CG-CD2 4.25Å | ||
| 205 | H | 97.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | trans | -63.5 | 134.3 | 178 | 175 | 58.9 | 0 | 0 | 0 | 110.5 | Y192 D194 T207 G208 E255 | Y192-H205 VanDerWaalsContact CB-CE1 3.49Å; Y192-H205 WeakPolarHBondContact CB-CE1 3.37Å; Y192-H205 VanDerWaalsContact CB-ND1 3.31Å; Y192-H205 WeakPolarHBondContact CB-ND1 3.35Å; Y192-H205 AromaticContact CD1-CE1 3.39Å; Y192-H205 WeakPolarHBondContact CD1-CE1 3.41Å; Y192-H205 AromaticContact CD1-ND1 3.88Å; Y192-H205 AromaticContact CD1-NE2 3.58Å; Y192-H205 HydrophobicContact CD2-CB 4.3Å; Y192-H205 AromaticContact CD2-CG 3.9Å; Y192-H205 AromaticContact CD2-ND1 3.89Å; Y192-H205 AromaticContact CE1-NE2 3.87Å; Y192-H205 AromaticContact CG-CE1 3.44Å; Y192-H205 VanDerWaalsContact CG-CE1 3.44Å; Y192-H205 AromaticContact CG-CG 3.87Å; Y192-H205 AromaticContact CG-ND1 3.43Å; Y192-H205 AromaticContact CG-NE2 3.93Å; D194-H205 IonicContact OD1-CE1 3.31Å; D194-H205 IonicContact OD1-ND1 2.82Å; D194-H205 PolarHBondContact OD1-ND1 3.45Å; D194-H205 IonicContact OD2-CE1 2.76Å; D194-H205 IonicContact OD2-CG 3.49Å; D194-H205 IonicContact OD2-ND1 2.93Å; D194-H205 PolarHBondContact OD2-ND1 2.88Å; D194-H205 VanDerWaalsContact OD2-ND1 3.12Å; H205-T207 PolarHBondContact CE1-O 2.92Å; H205-T207 PolarHBondContact ND1-O 3.15Å; H205-G208 PolarHBondContact CE1-O 2.84Å; H205-E255 PolarHBondContact N-OE1 3.05Å | ||
| 206 | I | 97.6 | Very high | 94.4 | Very high | 147 Ų | 147 | 56.1 Ų | 56.1 | 75% | 0.754 | 32% | 0.316 | S | S | * | . | trans | -124.7 | -40.6 | 178.8 | -63.5 | 173.3 | 0 | 0 | 0 | 110.7 | D194 K204 | D194-I206 PolarHBondContact OD2-N 3.35Å; K204-I206 PolarHBondContact O-N 3.12Å | ||
| 207 | T | 97 | Very high | 94.5 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -153.6 | 161.3 | -171.6 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | D194 H205 | D194-T207 HydrophobicContact CB-CG2 4.14Å; D194-T207 VanDerWaalsContact CB-O 3.23Å; D194-T207 WeakPolarHBondContact CB-O 3.3Å; D194-T207 PolarHBondContact OD2-N 3.03Å; D194-T207 VanDerWaalsContact OD2-N 3.16Å; D194-T207 VanDerWaalsContact OD2-O 3.12Å; H205-T207 PolarHBondContact CE1-O 2.92Å; H205-T207 PolarHBondContact ND1-O 3.15Å |
| 208 | G | 96.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 97.7 | 159.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E193 H205 | E193-G208 WeakPolarHBondContact OE2-CA 3.42Å; H205-G208 PolarHBondContact CE1-O 2.84Å |
| 209 | S | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | trans | -76.4 | 155.7 | -174 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | Y192 E193 | Y192-S209 VanDerWaalsContact CA-O 3.31Å; Y192-S209 WeakPolarHBondContact CA-O 3.25Å; E193-S209 VanDerWaalsContact CD-N 3.26Å; E193-S209 PolarHBondContact N-O 2.85Å; E193-S209 VanDerWaalsContact N-O 3.11Å; E193-S209 PolarHBondContact OE2-N 3.24Å | ||
| 210 | Y | 94.4 | Very high | 94.6 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 49% | 0.49 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 130.1 | 170.2 | 173.4 | -103 | 0 | 0 | 0 | 110.9 | Y190 Y192 G212 G213 | Y190-Y210 AromaticContact CD1-CE2 3.55Å; Y190-Y210 HydrophobicContact CD1-CE2 3.55Å; Y190-Y210 HydrophobicContact CE1-CE2 4.38Å; Y190-Y210 AromaticContact CG-CE2 3.84Å; Y190-Y210 HydrophobicContact CG-CE2 3.84Å; Y192-Y210 HydrophobicContact CE1-CD2 4.42Å; Y210-G212 VanDerWaalsContact OH-C 3.28Å; Y210-G212 WeakPolarHBondContact OH-CA 3.39Å; Y210-G213 PolarHBondContact OH-N 2.97Å |
| 211 | L | 90.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 35% | 0.346 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -16.8 | -178.6 | -63.2 | -176.8 | 0 | 0 | 0 | 114.1 | F40 V191 E193 L196 | F40-L211 HydrophobicContact CE1-CB 4.25Å; F40-L211 HydrophobicContact CZ-CD1 4.36Å; V191-L211 HydrophobicContact CG1-CB 4.26Å; V191-L211 HydrophobicContact CG1-CD1 4.21Å; V191-L211 PolarHBondContact O-N 2.92Å; E193-L211 HydrophobicContact CB-CD1 4.48Å; E193-L211 HydrophobicContact CG-CD1 4.05Å; E193-L211 HydrophobicContact CG-CD2 3.8Å; E193-L211 HydrophobicContact CG-CG 4.01Å; L196-L211 HydrophobicContact CD1-CD1 3.55Å; L196-L211 HydrophobicContact CD2-CD1 4.16Å; L196-L211 HydrophobicContact CG-CD1 3.87Å |
| 212 | G | 90.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.7 | -178.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | V191 Y210 | V191-G212 PolarHBondContact N-O 2.94Å; Y210-G212 VanDerWaalsContact OH-C 3.28Å; Y210-G212 WeakPolarHBondContact OH-CA 3.39Å |
| 213 | G | 90.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 147.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K43 F189 Y210 | K43-G213 PolarHBondContact NZ-O 3.24Å; F189-G213 CarbonylContact O-C 3.37Å; Y210-G213 PolarHBondContact OH-N 2.97Å |
| 214 | H | 91.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.2 | 171.4 | -170.4 | 35.2 | 0 | 0 | 0 | 111.8 | K43 G188 F189 V191 N235 W237 | K43-H214 WeakPolarHBondContact CB-ND1 3.45Å; K43-H214 HydrophobicContact CD-CB 4.29Å; K43-H214 WeakPolarHBondContact CD-ND1 3.47Å; K43-H214 WeakPolarHBondContact CE-ND1 3.3Å; K43-H214 WeakPolarHBondContact CG-ND1 3.47Å; G188-H214 CarbonylContact C-O 3.59Å; G188-H214 VanDerWaalsContact CA-O 3.29Å; G188-H214 WeakPolarHBondContact CA-O 3.27Å; F189-H214 HydrophobicContact CD1-CB 4.31Å; F189-H214 WeakPolarHBondContact CD1-O 3.24Å; F189-H214 HydrophobicContact CE1-CB 3.83Å; F189-H214 AromaticContact CE1-CD2 3.68Å; F189-H214 HydrophobicContact CZ-CB 4.27Å; F189-H214 AromaticContact CZ-CD2 3.98Å; F189-H214 PolarHBondContact N-O 3.25Å; F189-H214 PolarHBondContact O-N 2.67Å; V191-H214 HydrophobicContact CG2-CB 3.31Å; H214-N235 PolarHBondContact NE2-OD1 2.77Å; H214-W237 AromaticContact CD2-CZ2 3.98Å; H214-W237 AromaticContact CE1-NE1 3.89Å; H214-W237 AromaticContact NE2-CE2 3.8Å; H214-W237 AromaticContact NE2-CZ2 3.82Å; H214-W237 AromaticContact NE2-NE1 3.88Å |
| 215 | A | 92.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.7 | 177 | 0 | 0 | 0 | 0 | 0 | 109.1 | K43 P89 G187 | K43-A215 HydrophobicContact CB-CB 4.09Å; P89-A215 HydrophobicContact CG-CB 4.23Å; G187-A215 CarbonylContact O-C 3.19Å; G187-A215 VanDerWaalsContact O-CA 3.28Å; G187-A215 WeakPolarHBondContact O-CA 2.92Å |
| 216 | I | 92.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 174.2 | -172.9 | 54.6 | 73.1 | 0 | 0 | 0 | 109.3 | E186 G187 F189 I218 C233 F247 I258 | E186-I216 WeakPolarHBondContact CA-O 3.49Å; G187-I216 PolarHBondContact N-O 3.01Å; G187-I216 PolarHBondContact O-N 2.78Å; F189-I216 HydrophobicContact CD1-CG1 4.04Å; F189-I216 HydrophobicContact CD1-CG2 4.39Å; F189-I216 HydrophobicContact CE1-CG1 4.14Å; F189-I216 HydrophobicContact CE1-CG2 3.72Å; I216-I218 HydrophobicContact CD1-CD1 4.27Å; I216-I218 HydrophobicContact CD1-CG1 3.38Å; I216-C233 HydrophobicContact CD1-CB 4.18Å; I216-F247 HydrophobicContact CB-CE1 4.4Å; I216-F247 HydrophobicContact CB-CZ 4.41Å; I216-F247 HydrophobicContact CG1-CZ 4.17Å; I216-F247 HydrophobicContact CG2-CE1 3.96Å; I216-F247 HydrophobicContact CG2-CZ 4.06Å; I216-I258 HydrophobicContact CD1-CD1 4Å; I216-I258 HydrophobicContact CG1-CD1 4.24Å |
| 217 | R | 93.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123 | 172 | -179.7 | 165.3 | 53.3 | 102.7 | 1.5 | 110.3 | E50 S51 D54 P184 V185 I219 C233 A234 | E50-R217 VanDerWaalsContact CB-NE 3.32Å; E50-R217 IonicContact OE2-CZ 3.94Å; E50-R217 VanDerWaalsContact OE2-CZ 3.31Å; E50-R217 IonicContact OE2-NE 2.57Å; E50-R217 PolarHBondContact OE2-NE 3.34Å; E50-R217 IonicContact OE2-NH2 3.69Å; E50-R217 PolarHBondContact OE2-NH2 3.34Å; S51-R217 VanDerWaalsContact OG-CD 3.3Å; S51-R217 WeakPolarHBondContact OG-CD 3.33Å; S51-R217 WeakPolarHBondContact OG-CG 3.16Å; D54-R217 IonicContact OD1-NH1 3.29Å; D54-R217 WeakPolarHBondContact OD2-CD 3.22Å; D54-R217 IonicContact OD2-CZ 3.99Å; D54-R217 IonicContact OD2-NE 2.88Å; D54-R217 IonicContact OD2-NH1 2.72Å; D54-R217 PolarHBondContact OD2-NH1 3.48Å; P184-R217 HydrophobicContact CB-CG 3.73Å; V185-R217 CarbonylContact O-C 3.44Å; V185-R217 WeakPolarHBondContact O-CA 3.13Å; R217-I219 HydrophobicContact CG-CG2 3.87Å; R217-C233 CarbonylContact O-C 3.58Å; R217-C233 VanDerWaalsContact O-CA 3.28Å; R217-C233 WeakPolarHBondContact O-CA 3.28Å; R217-A234 HydrophobicContact CB-CB 4.44Å; R217-A234 PolarHBondContact N-O 3.44Å; R217-A234 PolarHBondContact O-N 3.22Å |
| 218 | I | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.5 | 174.7 | -46.6 | 176.3 | 0 | 0 | 0 | 108 | I179 P184 V185 I216 W231 I258 V262 | I179-I218 HydrophobicContact CD1-CB 4.12Å; I179-I218 HydrophobicContact CD1-CG2 3.63Å; P184-I218 WeakPolarHBondContact CA-O 3.39Å; V185-I218 HydrophobicContact CG2-CB 3.74Å; V185-I218 HydrophobicContact CG2-CD1 4.17Å; V185-I218 HydrophobicContact CG2-CG1 4.19Å; V185-I218 PolarHBondContact N-O 2.83Å; V185-I218 PolarHBondContact O-N 2.95Å; I216-I218 HydrophobicContact CD1-CD1 4.27Å; I216-I218 HydrophobicContact CD1-CG1 3.38Å; I218-W231 HydrophobicContact CG2-CB 4.19Å; I218-W231 HydrophobicContact CG2-CD2 4.31Å; I218-W231 HydrophobicContact CG2-CE3 3.9Å; I218-W231 HydrophobicContact CG2-CG 4.47Å; I218-I258 HydrophobicContact CD1-CD1 4.45Å; I218-I258 HydrophobicContact CD1-CG1 4.42Å; I218-V262 HydrophobicContact CD1-CG2 4.23Å |
| 219 | I | 93.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -7.7 | -171.8 | 61.9 | 161.9 | 0 | 0 | 0 | 113.4 | V12 L13 P184 R217 L232 A234 Y246 | V12-I219 HydrophobicContact CG1-CD1 4.31Å; L13-I219 WeakPolarHBondContact CB-O 3.27Å; L13-I219 WeakPolarHBondContact CG-O 3.32Å; L13-I219 PolarHBondContact N-O 3.11Å; L13-I219 VanDerWaalsContact N-O 3.11Å; P184-I219 HydrophobicContact CB-CG2 4.01Å; P184-I219 HydrophobicContact CG-CB 4.47Å; P184-I219 HydrophobicContact CG-CG2 4.07Å; R217-I219 HydrophobicContact CG-CG2 3.87Å; I219-L232 HydrophobicContact CD1-CD2 3.67Å; I219-L232 HydrophobicContact CD1-CG 3.87Å; I219-L232 HydrophobicContact CG1-CB 4.23Å; I219-L232 HydrophobicContact CG1-CD2 3.9Å; I219-L232 HydrophobicContact CG1-CG 3.75Å; I219-L232 WeakPolarHBondContact CG1-O 3.48Å; I219-L232 PolarHBondContact N-O 2.94Å; I219-A234 HydrophobicContact CG2-CB 4.48Å; I219-Y246 HydrophobicContact CD1-CD1 3.97Å; I219-Y246 HydrophobicContact CD1-CE1 3.64Å |
| 220 | G | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | I11 L232 | I11-G220 CarbonylContact O-C 3.56Å; I11-G220 WeakPolarHBondContact O-CA 3.39Å; G220-L232 PolarHBondContact N-O 2.91Å; G220-L232 PolarHBondContact O-N 2.83Å |
| 221 | W | 95.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 164.1 | 176.9 | 64.9 | 92.8 | 0 | 0 | 0 | 111 | I11 M176 I179 L180 Y230 W231 | I11-W221 HydrophobicContact CB-CD2 4.25Å; I11-W221 HydrophobicContact CB-CE3 4.46Å; I11-W221 HydrophobicContact CB-CH2 4.07Å; I11-W221 HydrophobicContact CB-CZ2 3.9Å; I11-W221 HydrophobicContact CB-CZ3 4.34Å; I11-W221 HydrophobicContact CD1-CH2 4.03Å; I11-W221 HydrophobicContact CD1-CZ2 3.27Å; I11-W221 HydrophobicContact CG1-CZ2 4.07Å; I11-W221 HydrophobicContact CG2-CH2 3.69Å; I11-W221 HydrophobicContact CG2-CZ2 3.99Å; I11-W221 HydrophobicContact CG2-CZ3 3.99Å; I11-W221 PolarHBondContact N-O 2.98Å; I11-W221 PolarHBondContact O-N 3.06Å; I11-W221 VanDerWaalsContact O-N 3.09Å; M176-W221 HydrophobicContact CB-CD2 4.37Å; M176-W221 HydrophobicContact CB-CE3 4.39Å; M176-W221 HydrophobicContact CB-CH2 3.99Å; M176-W221 HydrophobicContact CB-CZ2 3.89Å; M176-W221 HydrophobicContact CB-CZ3 4.25Å; M176-W221 HydrophobicContact CE-CD2 4.33Å; M176-W221 HydrophobicContact CE-CG 4.41Å; M176-W221 HydrophobicContact CE-CZ2 3.94Å; M176-W221 HydrophobicContact CG-CD2 3.9Å; M176-W221 HydrophobicContact CG-CE3 4.24Å; M176-W221 HydrophobicContact CG-CG 4.29Å; M176-W221 HydrophobicContact CG-CZ2 4.18Å; M176-W221 WeakPolarHBondContact O-CH2 3.49Å; M176-W221 WeakPolarHBondContact O-CZ3 3.31Å; I179-W221 HydrophobicContact CB-CZ3 3.8Å; I179-W221 HydrophobicContact CG2-CE3 4.3Å; I179-W221 HydrophobicContact CG2-CZ3 3.68Å; L180-W221 HydrophobicContact CB-CH2 4.03Å; L180-W221 HydrophobicContact CD1-CH2 4.47Å; W221-Y230 VanDerWaalsContact CA-O 3.28Å; W221-Y230 WeakPolarHBondContact CA-O 3.25Å; W221-Y230 VanDerWaalsContact CB-O 3.26Å; W221-Y230 WeakPolarHBondContact CB-O 3.21Å; W221-W231 HydrophobicContact CB-CE3 3.74Å; W221-W231 HydrophobicContact CB-CZ3 3.89Å; W221-W231 HydrophobicContact CD2-CZ3 4.34Å; W221-W231 HydrophobicContact CE3-CZ3 4.08Å; W221-W231 HydrophobicContact CG-CZ3 4.31Å |
| 222 | G | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168 | -169.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y230 R251 | G222-Y230 PolarHBondContact N-O 3.04Å; G222-Y230 VanDerWaalsContact N-O 3.1Å; G222-Y230 WeakPolarHBondContact O-CD1 3.01Å; G222-Y230 PolarHBondContact O-N 3.42Å; G222-R251 PolarHBondContact O-NH2 3.1Å |
| 223 | I | 93.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 41% | 0.405 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121 | 176.3 | -61.6 | 177 | 0 | 0 | 0 | 107.5 | T8 I228 | T8-I223 WeakPolarHBondContact CG2-O 3.29Å; I223-I228 CarbonylContact C-O 3.55Å; I223-I228 WeakPolarHBondContact CA-O 3.09Å |
| 224 | Q | 88.1 | Confident | 93.4 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 176.7 | 175.5 | -171.2 | 158.4 | -17.9 | 0 | 0 | 110.2 | V202 H227 I228 Y230 | V202-Q224 HydrophobicContact CG2-CB 3.98Å; V202-Q224 VanDerWaalsContact CG2-OE1 3.31Å; Q224-H227 PolarHBondContact O-N 2.83Å; Q224-I228 PolarHBondContact N-O 2.98Å; Q224-Y230 HydrophobicContact CB-CD1 4.12Å; Q224-Y230 HydrophobicContact CB-CE1 4.15Å |
| 225 | Q | 85.6 | Confident | 93.3 | Very high | 159 Ų | 159 | 36.8 Ų | 36.8 | 74% | 0.743 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -44.6 | 148.5 | 166.2 | -68.8 | 176.6 | -15.2 | 0 | 0 | 111.2 | H227 | Q225-H227 VanDerWaalsContact C-N 3.3Å; Q225-H227 PolarHBondContact O-N 2.8Å |
| 226 | N | 87.9 | Confident | 92.9 | Very high | 142 Ų | 142 | 37 Ų | 37 | 76% | 0.759 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | 64.6 | 26.2 | -175.5 | -52.1 | -28.2 | 0 | 0 | 0 | 115 | I228 | N226-I228 HydrophobicContact CB-CG1 4.43Å; N226-I228 PolarHBondContact O-N 3.36Å |
| 227 | H | 92 | Very high | 92.5 | Very high | 150 Ų | 150 | 37 Ų | 37 | 69% | 0.694 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | 61.3 | 26.7 | 175.8 | -54.1 | 95.4 | 0 | 0 | 0 | 114.5 | Q224 Q225 P229 | Q224-H227 PolarHBondContact O-N 2.83Å; Q225-H227 VanDerWaalsContact C-N 3.3Å; Q225-H227 PolarHBondContact O-N 2.8Å; H227-P229 WeakPolarHBondContact O-CD 3.35Å |
| 228 | I | 95.9 | Very high | 91.8 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 35% | 0.349 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112.4 | -179.3 | -56.8 | 176.9 | 0 | 0 | 0 | 109.4 | V202 I223 Q224 N226 L250 | V202-I228 HydrophobicContact CB-CG2 3.98Å; V202-I228 HydrophobicContact CG1-CG2 3.97Å; V202-I228 HydrophobicContact CG2-CG2 3.92Å; I223-I228 CarbonylContact C-O 3.55Å; I223-I228 WeakPolarHBondContact CA-O 3.09Å; Q224-I228 PolarHBondContact N-O 2.98Å; N226-I228 HydrophobicContact CB-CG1 4.43Å; N226-I228 PolarHBondContact O-N 3.36Å; I228-L250 HydrophobicContact CG2-CD1 3.87Å |
| 229 | P | 97.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 25% | 0.253 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 141.4 | 177 | 31.6 | -35.5 | 0 | 0 | 0 | 111 | H227 L250 R251 | H227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-L250 HydrophobicContact CG-CD1 4.42Å; P229-R251 HydrophobicContact CB-CB 4.24Å; P229-R251 VanDerWaalsContact CB-CZ 3.49Å; P229-R251 VanDerWaalsContact CB-NH2 3.29Å; P229-R251 WeakPolarHBondContact CG-O 3.5Å; P229-R251 PolarHBondContact O-N 3.02Å; P229-R251 VanDerWaalsContact O-N 3.1Å |
| 230 | Y | 97.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.5 | 176.2 | 66.1 | -96 | 0 | 0 | 0 | 113.4 | I10 V202 W221 G222 Q224 L232 K248 I249 R251 | I10-Y230 WeakPolarHBondContact CD1-OH 3.44Å; V202-Y230 HydrophobicContact CG2-CD1 4.09Å; V202-Y230 HydrophobicContact CG2-CG 4.28Å; W221-Y230 VanDerWaalsContact CA-O 3.28Å; W221-Y230 WeakPolarHBondContact CA-O 3.25Å; W221-Y230 VanDerWaalsContact CB-O 3.26Å; W221-Y230 WeakPolarHBondContact CB-O 3.21Å; G222-Y230 PolarHBondContact N-O 3.04Å; G222-Y230 VanDerWaalsContact N-O 3.1Å; G222-Y230 WeakPolarHBondContact O-CD1 3.01Å; G222-Y230 PolarHBondContact O-N 3.42Å; Q224-Y230 HydrophobicContact CB-CD1 4.12Å; Q224-Y230 HydrophobicContact CB-CE1 4.15Å; Y230-L232 HydrophobicContact CD2-CB 4.44Å; Y230-L232 HydrophobicContact CE2-CB 4.17Å; Y230-K248 HydrophobicContact CD1-CD 4.24Å; Y230-K248 HydrophobicContact CD2-CB 3.87Å; Y230-K248 HydrophobicContact CD2-CD 3.87Å; Y230-K248 HydrophobicContact CD2-CG 3.66Å; Y230-K248 HydrophobicContact CE1-CD 4.19Å; Y230-K248 HydrophobicContact CE2-CD 3.84Å; Y230-K248 HydrophobicContact CE2-CG 3.93Å; Y230-K248 HydrophobicContact CG-CB 3.98Å; Y230-K248 HydrophobicContact CG-CD 4.09Å; Y230-K248 HydrophobicContact CG-CG 4.13Å; Y230-I249 CarbonylContact C-O 3.58Å; Y230-I249 VanDerWaalsContact CA-O 3.22Å; Y230-I249 WeakPolarHBondContact CA-O 3.35Å; Y230-I249 WeakPolarHBondContact CB-O 3.31Å; Y230-R251 VanDerWaalsContact C-CB 3.48Å; Y230-R251 PolarHBondContact O-NE 3.48Å |
| 231 | W | 97.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.2 | 157.1 | -65.4 | 116.9 | 0 | 0 | 0 | 109.2 | E172 I175 M176 I179 I218 W221 K248 I249 R251 E259 | E172-W231 HydrophobicContact CG-CH2 4.35Å; E172-W231 HydrophobicContact CG-CZ2 3.93Å; I175-W231 HydrophobicContact CB-CH2 3.7Å; I175-W231 HydrophobicContact CB-CZ2 4.04Å; I175-W231 HydrophobicContact CD1-CZ2 4.36Å; I175-W231 HydrophobicContact CG2-CH2 3.51Å; I175-W231 HydrophobicContact CG2-CZ2 3.96Å; I175-W231 HydrophobicContact CG2-CZ3 3.89Å; M176-W231 HydrophobicContact CB-CH2 4.48Å; M176-W231 HydrophobicContact CG-CH2 3.56Å; M176-W231 HydrophobicContact CG-CZ3 3.88Å; I179-W231 HydrophobicContact CD1-CZ3 4.14Å; I218-W231 HydrophobicContact CG2-CB 4.19Å; I218-W231 HydrophobicContact CG2-CD2 4.31Å; I218-W231 HydrophobicContact CG2-CE3 3.9Å; I218-W231 HydrophobicContact CG2-CG 4.47Å; W221-W231 HydrophobicContact CB-CE3 3.74Å; W221-W231 HydrophobicContact CB-CZ3 3.89Å; W221-W231 HydrophobicContact CD2-CZ3 4.34Å; W221-W231 HydrophobicContact CE3-CZ3 4.08Å; W221-W231 HydrophobicContact CG-CZ3 4.31Å; W231-K248 VanDerWaalsContact O-CA 3.23Å; W231-K248 WeakPolarHBondContact O-CA 3.44Å; W231-I249 HydrophobicContact CB-CG2 3.92Å; W231-I249 PolarHBondContact N-O 2.76Å; W231-I249 PolarHBondContact O-N 3.45Å; W231-I249 VanDerWaalsContact O-N 3.13Å; W231-R251 HydrophobicContact CD2-CB 4.17Å; W231-R251 HydrophobicContact CD2-CG 3.99Å; W231-R251 VanDerWaalsContact CE2-CD 3.5Å; W231-R251 VanDerWaalsContact CE2-CG 3.46Å; W231-R251 HydrophobicContact CG-CB 4Å; W231-R251 HydrophobicContact CG-CG 4.34Å; W231-R251 HydrophobicContact CH2-CG 4.46Å; W231-R251 HydrophobicContact CZ2-CG 3.73Å; W231-E259 HydrophobicContact CZ2-CG 4.38Å; W231-E259 PolarHBondContact NE1-OE1 2.84Å |
| 232 | L | 96.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.8 | 170.6 | -179.3 | 63.4 | 0 | 0 | 0 | 108.4 | V12 I219 G220 Y230 K248 | V12-L232 HydrophobicContact CG1-CD2 4.07Å; V12-L232 HydrophobicContact CG2-CD2 3.89Å; I219-L232 HydrophobicContact CD1-CD2 3.67Å; I219-L232 HydrophobicContact CD1-CG 3.87Å; I219-L232 HydrophobicContact CG1-CB 4.23Å; I219-L232 HydrophobicContact CG1-CD2 3.9Å; I219-L232 HydrophobicContact CG1-CG 3.75Å; I219-L232 WeakPolarHBondContact CG1-O 3.48Å; I219-L232 PolarHBondContact N-O 2.94Å; G220-L232 PolarHBondContact N-O 2.91Å; G220-L232 PolarHBondContact O-N 2.83Å; Y230-L232 HydrophobicContact CD2-CB 4.44Å; Y230-L232 HydrophobicContact CE2-CB 4.17Å; L232-K248 HydrophobicContact CD1-CG 4.09Å |
| 233 | C | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.3 | -174.6 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | I216 R217 Y246 F247 | I216-C233 HydrophobicContact CD1-CB 4.18Å; R217-C233 CarbonylContact O-C 3.58Å; R217-C233 VanDerWaalsContact O-CA 3.28Å; R217-C233 WeakPolarHBondContact O-CA 3.28Å; C233-Y246 VanDerWaalsContact O-CA 3.31Å; C233-Y246 WeakPolarHBondContact O-CA 3.42Å; C233-F247 HydrophobicContact CB-CD1 3.77Å; C233-F247 HydrophobicContact CB-CD2 4.25Å; C233-F247 HydrophobicContact CB-CE1 3.3Å; C233-F247 HydrophobicContact CB-CE2 3.83Å; C233-F247 HydrophobicContact CB-CG 4.23Å; C233-F247 HydrophobicContact CB-CZ 3.34Å; C233-F247 PolarHBondContact N-O 2.91Å; C233-F247 PolarHBondContact O-N 3.31Å |
| 234 | A | 91.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R217 I219 Y246 | R217-A234 HydrophobicContact CB-CB 4.44Å; R217-A234 PolarHBondContact N-O 3.44Å; R217-A234 PolarHBondContact O-N 3.22Å; I219-A234 HydrophobicContact CG2-CB 4.48Å; A234-Y246 HydrophobicContact CB-CD1 4.01Å; A234-Y246 HydrophobicContact CB-CE1 3.74Å |
| 235 | N | 89.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | trans | -96.7 | 163.8 | 175.1 | -157 | -2.1 | 0 | 0 | 0 | 110.4 | H214 W237 W241 G245 F247 | H214-N235 PolarHBondContact NE2-OD1 2.77Å; N235-W237 VanDerWaalsContact ND2-CD2 3.33Å; N235-W241 HydrophobicContact CB-CE3 3.94Å; N235-W241 HydrophobicContact CB-CZ3 3.76Å; N235-W241 VanDerWaalsContact ND2-CE3 3.26Å; N235-W241 WeakPolarHBondContact ND2-CH2 3.48Å; N235-W241 WeakPolarHBondContact ND2-CZ3 3.32Å; N235-G245 VanDerWaalsContact CB-O 3.25Å; N235-G245 WeakPolarHBondContact CB-O 3.44Å; N235-G245 PolarHBondContact N-O 3.16Å; N235-F247 HydrophobicContact CB-CD1 4.11Å; N235-F247 HydrophobicContact CB-CE1 4.17Å | ||
| 236 | S | 84.8 | Confident | 90.5 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -106.8 | 35.1 | 179.1 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 237 | W | 84.6 | Confident | 90.8 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -119.7 | 33.1 | -174 | -69.1 | -9.3 | 0 | 0 | 0 | 112.4 | H123 F195 L196 H214 N235 W241 | H123-W237 HydrophobicContact CB-CB 3.86Å; H123-W237 HydrophobicContact CB-CD2 4.34Å; H123-W237 HydrophobicContact CB-CG 3.98Å; H123-W237 AromaticContact CE1-CD1 3.54Å; H123-W237 AromaticContact CG-CD1 3.89Å; H123-W237 AromaticContact CG-CG 3.88Å; H123-W237 WeakPolarHBondContact ND1-CA 3.09Å; H123-W237 WeakPolarHBondContact ND1-CB 3.23Å; H123-W237 AromaticContact ND1-CD1 3.18Å; H123-W237 AromaticContact ND1-CG 3.4Å; F195-W237 AromaticContact CD1-CH2 3.91Å; F195-W237 HydrophobicContact CD1-CH2 3.91Å; F195-W237 AromaticContact CD1-CZ3 3.96Å; F195-W237 HydrophobicContact CD1-CZ3 3.96Å; F195-W237 AromaticContact CE1-CH2 3.77Å; F195-W237 HydrophobicContact CE1-CH2 3.77Å; F195-W237 AromaticContact CE1-CZ3 3.67Å; F195-W237 HydrophobicContact CE1-CZ3 3.67Å; L196-W237 HydrophobicContact CD2-CH2 3.78Å; L196-W237 HydrophobicContact CD2-CZ3 4.15Å; H214-W237 AromaticContact CD2-CZ2 3.98Å; H214-W237 AromaticContact CE1-NE1 3.89Å; H214-W237 AromaticContact NE2-CE2 3.8Å; H214-W237 AromaticContact NE2-CZ2 3.82Å; H214-W237 AromaticContact NE2-NE1 3.88Å; N235-W237 VanDerWaalsContact ND2-CD2 3.33Å; W237-W241 HydrophobicContact CB-CB 4.07Å; W237-W241 HydrophobicContact CB-CG 4.18Å; W237-W241 AromaticContact CE3-CD1 3.75Å; W237-W241 AromaticContact CE3-CD2 3.7Å; W237-W241 HydrophobicContact CE3-CD2 3.7Å; W237-W241 AromaticContact CE3-CE2 3.44Å; W237-W241 VanDerWaalsContact CE3-CE2 3.44Å; W237-W241 HydrophobicContact CE3-CE3 4.4Å; W237-W241 AromaticContact CE3-CG 3.91Å; W237-W241 HydrophobicContact CE3-CG 3.91Å; W237-W241 AromaticContact CE3-CZ2 3.93Å; W237-W241 HydrophobicContact CE3-CZ2 3.93Å; W237-W241 AromaticContact CE3-NE1 3.47Å; W237-W241 HydrophobicContact CZ3-CD2 4.36Å; W237-W241 AromaticContact CZ3-CE2 3.64Å; W237-W241 AromaticContact CZ3-CZ2 3.76Å; W237-W241 HydrophobicContact CZ3-CZ2 3.76Å; W237-W241 AromaticContact CZ3-NE1 3.65Å; W237-W241 WeakPolarHBondContact O-CB 3.39Å |
| 238 | N | 78.7 | Confident | 91.1 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | trans | 56.3 | 170.3 | -169.9 | 73.5 | 46 | 0 | 0 | 0 | 115.8 | D35 L37 C121 N122 Q240 W241 G245 | D35-N238 HydrophobicContact CB-CB 4.4Å; D35-N238 VanDerWaalsContact OD1-CA 3.32Å; D35-N238 WeakPolarHBondContact OD1-CA 3.19Å; L37-N238 HydrophobicContact CD1-CB 3.68Å; C121-N238 PolarHBondContact O-ND2 3.29Å; N122-N238 PolarHBondContact OD1-ND2 3.02Å; N238-Q240 VanDerWaalsContact C-N 3.26Å; N238-Q240 PolarHBondContact O-N 3.32Å; N238-Q240 VanDerWaalsContact OD1-CA 3.28Å; N238-Q240 WeakPolarHBondContact OD1-CA 3.4Å; N238-Q240 WeakPolarHBondContact OD1-CB 3.31Å; N238-Q240 PolarHBondContact OD1-N 3.26Å; N238-W241 PolarHBondContact O-N 3.05Å; N238-W241 PolarHBondContact OD1-N 3.26Å; N238-G245 VanDerWaalsContact O-CA 3.27Å; N238-G245 WeakPolarHBondContact O-CA 3.34Å | ||
| 239 | N | 83.8 | Confident | 91.2 | Very high | 38 Ų | 38 | 17.9 Ų | 17.9 | 20% | 0.203 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.8 | 177.9 | 66.1 | 39.5 | 0 | 0 | 0 | 115.5 | D35 Q244 | D35-N239 PolarHBondContact OD1-N 3.4Å; D35-N239 PolarHBondContact OD1-ND2 3.44Å; D35-N239 PolarHBondContact OD2-ND2 2.81Å; N239-Q244 CarbonylContact O-C 3.57Å; N239-Q244 VanDerWaalsContact O-CA 3.26Å; N239-Q244 WeakPolarHBondContact O-CA 3.46Å |
| 240 | Q | 85.7 | Confident | 91.2 | Very high | 68 Ų | 68 | 17.3 Ų | 17.3 | 32% | 0.318 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.4 | 177.7 | -53.5 | -67.3 | -60.3 | 0 | 0 | 112.6 | S125 S127 Y130 N238 | S125-Q240 WeakPolarHBondContact CB-O 3.35Å; S125-Q240 PolarHBondContact OG-O 3.1Å; S127-Q240 PolarHBondContact OG-OE1 3.43Å; Y130-Q240 HydrophobicContact CD2-CG 4.28Å; Y130-Q240 HydrophobicContact CE2-CG 4.05Å; N238-Q240 VanDerWaalsContact C-N 3.26Å; N238-Q240 PolarHBondContact O-N 3.32Å; N238-Q240 VanDerWaalsContact OD1-CA 3.28Å; N238-Q240 WeakPolarHBondContact OD1-CA 3.4Å; N238-Q240 WeakPolarHBondContact OD1-CB 3.31Å; N238-Q240 PolarHBondContact OD1-N 3.26Å |
| 241 | W | 88.7 | Confident | 91.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -92.1 | 146.1 | 175.3 | -178.6 | 89.2 | 0 | 0 | 0 | 111.5 | F195 L196 Y198 N235 W237 N238 G245 F247 | F195-W241 HydrophobicContact CD1-CZ2 4.18Å; F195-W241 AromaticContact CE1-CH2 3.72Å; F195-W241 HydrophobicContact CE1-CH2 3.72Å; F195-W241 AromaticContact CE1-CZ2 3.6Å; F195-W241 HydrophobicContact CE1-CZ2 3.6Å; F195-W241 AromaticContact CE2-CH2 3.97Å; F195-W241 HydrophobicContact CE2-CH2 3.97Å; F195-W241 HydrophobicContact CE2-CZ2 4.29Å; F195-W241 AromaticContact CZ-CH2 3.33Å; F195-W241 HydrophobicContact CZ-CH2 3.33Å; F195-W241 AromaticContact CZ-CZ2 3.68Å; F195-W241 HydrophobicContact CZ-CZ2 3.68Å; F195-W241 HydrophobicContact CZ-CZ3 4.43Å; L196-W241 PolarHBondContact O-NE1 3.42Å; Y198-W241 AromaticContact CD1-CH2 3.66Å; Y198-W241 HydrophobicContact CD1-CH2 3.66Å; Y198-W241 HydrophobicContact CD1-CZ2 4.01Å; Y198-W241 HydrophobicContact CD1-CZ3 4.13Å; Y198-W241 HydrophobicContact CE1-CH2 4.44Å; Y198-W241 HydrophobicContact CG-CH2 4.25Å; Y198-W241 HydrophobicContact CG-CZ2 4.36Å; N235-W241 HydrophobicContact CB-CE3 3.94Å; N235-W241 HydrophobicContact CB-CZ3 3.76Å; N235-W241 VanDerWaalsContact ND2-CE3 3.26Å; N235-W241 WeakPolarHBondContact ND2-CH2 3.48Å; N235-W241 WeakPolarHBondContact ND2-CZ3 3.32Å; W237-W241 HydrophobicContact CB-CB 4.07Å; W237-W241 HydrophobicContact CB-CG 4.18Å; W237-W241 AromaticContact CE3-CD1 3.75Å; W237-W241 AromaticContact CE3-CD2 3.7Å; W237-W241 HydrophobicContact CE3-CD2 3.7Å; W237-W241 AromaticContact CE3-CE2 3.44Å; W237-W241 VanDerWaalsContact CE3-CE2 3.44Å; W237-W241 HydrophobicContact CE3-CE3 4.4Å; W237-W241 AromaticContact CE3-CG 3.91Å; W237-W241 HydrophobicContact CE3-CG 3.91Å; W237-W241 AromaticContact CE3-CZ2 3.93Å; W237-W241 HydrophobicContact CE3-CZ2 3.93Å; W237-W241 AromaticContact CE3-NE1 3.47Å; W237-W241 HydrophobicContact CZ3-CD2 4.36Å; W237-W241 AromaticContact CZ3-CE2 3.64Å; W237-W241 AromaticContact CZ3-CZ2 3.76Å; W237-W241 HydrophobicContact CZ3-CZ2 3.76Å; W237-W241 AromaticContact CZ3-NE1 3.65Å; W237-W241 WeakPolarHBondContact O-CB 3.39Å; N238-W241 PolarHBondContact O-N 3.05Å; N238-W241 PolarHBondContact OD1-N 3.26Å; W241-G245 WeakPolarHBondContact O-CA 3.04Å; W241-G245 PolarHBondContact O-N 3.46Å; W241-F247 HydrophobicContact CH2-CB 3.88Å; W241-F247 HydrophobicContact CH2-CD1 4.05Å; W241-F247 HydrophobicContact CH2-CG 4.08Å; W241-F247 HydrophobicContact CZ3-CB 3.91Å; W241-F247 AromaticContact CZ3-CD1 3.88Å; W241-F247 HydrophobicContact CZ3-CD1 3.88Å; W241-F247 HydrophobicContact CZ3-CG 4.21Å |
| 242 | G | 90.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 18% | 0.175 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -137.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K199 Q244 | K199-G242 CarbonylContact O-C 3.55Å; G242-Q244 PolarHBondContact O-N 2.8Å |
| 243 | D | 92.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 23.1 Ų | 23.1 | 17% | 0.166 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 75.7 | 178.5 | -172.5 | 18.8 | 0 | 0 | 0 | 108.5 | Y29 K199 G245 Y246 K248 | Y29-D243 WeakPolarHBondContact CE1-OD2 3.31Å; Y29-D243 VanDerWaalsContact CZ-OD2 3.3Å; Y29-D243 PolarHBondContact OH-OD2 3.1Å; K199-D243 PolarHBondContact O-N 3.11Å; D243-G245 PolarHBondContact O-N 3.42Å; D243-Y246 WeakPolarHBondContact CB-O 3.18Å; D243-Y246 PolarHBondContact N-O 2.96Å; D243-Y246 WeakPolarHBondContact O-CB 3.28Å; D243-Y246 PolarHBondContact O-N 3.44Å; D243-K248 IonicContact OD2-NZ 3.45Å; D243-K248 PolarHBondContact OD2-NZ 3.44Å |
| 244 | Q | 89.6 | Confident | 91.4 | Very high | 117 Ų | 117 | 26.1 Ų | 26.1 | 55% | 0.547 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 40.3 | -177.2 | -55.4 | 178.2 | 27 | 0 | 0 | 114 | N239 G242 Y246 | N239-Q244 CarbonylContact O-C 3.57Å; N239-Q244 VanDerWaalsContact O-CA 3.26Å; N239-Q244 WeakPolarHBondContact O-CA 3.46Å; G242-Q244 PolarHBondContact O-N 2.8Å; Q244-Y246 VanDerWaalsContact C-N 3.26Å; Q244-Y246 VanDerWaalsContact O-CD2 3.28Å; Q244-Y246 WeakPolarHBondContact O-CD2 3.34Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.23Å; Q244-Y246 PolarHBondContact O-N 2.83Å |
| 245 | G | 87.7 | Confident | 91.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | N235 N238 W241 D243 | N235-G245 VanDerWaalsContact CB-O 3.25Å; N235-G245 WeakPolarHBondContact CB-O 3.44Å; N235-G245 PolarHBondContact N-O 3.16Å; N238-G245 VanDerWaalsContact O-CA 3.27Å; N238-G245 WeakPolarHBondContact O-CA 3.34Å; W241-G245 WeakPolarHBondContact O-CA 3.04Å; W241-G245 PolarHBondContact O-N 3.46Å; D243-G245 PolarHBondContact O-N 3.42Å |
| 246 | Y | 92.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 159.2 | 176.1 | -59.6 | -89.8 | 0 | 0 | 0 | 111.9 | Y29 F30 I219 C233 A234 D243 Q244 | Y29-Y246 AromaticContact CD1-CD2 3.86Å; Y29-Y246 HydrophobicContact CD1-CD2 3.86Å; Y29-Y246 HydrophobicContact CD1-CE2 4.44Å; Y29-Y246 HydrophobicContact CD1-CG 4.21Å; F30-Y246 WeakPolarHBondContact CB-OH 3.26Å; F30-Y246 WeakPolarHBondContact O-CE2 3.4Å; F30-Y246 PolarHBondContact O-OH 2.99Å; I219-Y246 HydrophobicContact CD1-CD1 3.97Å; I219-Y246 HydrophobicContact CD1-CE1 3.64Å; C233-Y246 VanDerWaalsContact O-CA 3.31Å; C233-Y246 WeakPolarHBondContact O-CA 3.42Å; A234-Y246 HydrophobicContact CB-CD1 4.01Å; A234-Y246 HydrophobicContact CB-CE1 3.74Å; D243-Y246 WeakPolarHBondContact CB-O 3.18Å; D243-Y246 PolarHBondContact N-O 2.96Å; D243-Y246 WeakPolarHBondContact O-CB 3.28Å; D243-Y246 PolarHBondContact O-N 3.44Å; Q244-Y246 VanDerWaalsContact C-N 3.26Å; Q244-Y246 VanDerWaalsContact O-CD2 3.28Å; Q244-Y246 WeakPolarHBondContact O-CD2 3.34Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.23Å; Q244-Y246 PolarHBondContact O-N 2.83Å |
| 247 | F | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 160.3 | 166 | 68.9 | -77.6 | 0 | 0 | 0 | 111.1 | F189 F195 Y198 I216 C233 N235 W241 I249 | F189-F247 AromaticContact CE1-CZ 3.99Å; F189-F247 HydrophobicContact CE1-CZ 3.99Å; F189-F247 HydrophobicContact CZ-CE2 4.38Å; F189-F247 HydrophobicContact CZ-CZ 4.09Å; F195-F247 AromaticContact CE2-CD2 3.69Å; F195-F247 HydrophobicContact CE2-CD2 3.69Å; F195-F247 AromaticContact CE2-CE2 3.84Å; F195-F247 HydrophobicContact CE2-CE2 3.84Å; F195-F247 HydrophobicContact CE2-CG 4.12Å; F195-F247 HydrophobicContact CE2-CZ 4.39Å; F195-F247 HydrophobicContact CZ-CD1 4.18Å; F195-F247 AromaticContact CZ-CD2 3.97Å; F195-F247 HydrophobicContact CZ-CD2 3.97Å; F195-F247 HydrophobicContact CZ-CE1 4.16Å; F195-F247 AromaticContact CZ-CE2 3.95Å; F195-F247 HydrophobicContact CZ-CE2 3.95Å; F195-F247 HydrophobicContact CZ-CG 4.08Å; F195-F247 HydrophobicContact CZ-CZ 4.03Å; Y198-F247 HydrophobicContact CD1-CB 3.81Å; Y198-F247 HydrophobicContact CE1-CB 3.35Å; Y198-F247 HydrophobicContact CE2-CB 4.29Å; Y198-F247 HydrophobicContact CG-CB 4.48Å; Y198-F247 WeakPolarHBondContact OH-CA 3.32Å; I216-F247 HydrophobicContact CB-CE1 4.4Å; I216-F247 HydrophobicContact CB-CZ 4.41Å; I216-F247 HydrophobicContact CG1-CZ 4.17Å; I216-F247 HydrophobicContact CG2-CE1 3.96Å; I216-F247 HydrophobicContact CG2-CZ 4.06Å; C233-F247 HydrophobicContact CB-CD1 3.77Å; C233-F247 HydrophobicContact CB-CD2 4.25Å; C233-F247 HydrophobicContact CB-CE1 3.3Å; C233-F247 HydrophobicContact CB-CE2 3.83Å; C233-F247 HydrophobicContact CB-CG 4.23Å; C233-F247 HydrophobicContact CB-CZ 3.34Å; C233-F247 PolarHBondContact N-O 2.91Å; C233-F247 PolarHBondContact O-N 3.31Å; N235-F247 HydrophobicContact CB-CD1 4.11Å; N235-F247 HydrophobicContact CB-CE1 4.17Å; W241-F247 HydrophobicContact CH2-CB 3.88Å; W241-F247 HydrophobicContact CH2-CD1 4.05Å; W241-F247 HydrophobicContact CH2-CG 4.08Å; W241-F247 HydrophobicContact CZ3-CB 3.91Å; W241-F247 AromaticContact CZ3-CD1 3.88Å; W241-F247 HydrophobicContact CZ3-CD1 3.88Å; W241-F247 HydrophobicContact CZ3-CG 4.21Å; F247-I249 HydrophobicContact CD2-CB 4.24Å; F247-I249 HydrophobicContact CE2-CB 4.03Å; F247-I249 HydrophobicContact CE2-CG2 4.05Å |
| 248 | K | 97.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 10% | 0.1 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.5 | 170.9 | -58.8 | 168.8 | -177.2 | 111.8 | 0 | 107.8 | Y29 Y198 G201 V202 Y203 Y230 W231 L232 D243 | Y29-K248 PolarHBondContact OH-NZ 3.05Å; Y198-K248 PolarHBondContact OH-N 2.99Å; G201-K248 WeakPolarHBondContact O-CB 3.48Å; V202-K248 HydrophobicContact CG2-CB 4.37Å; Y203-K248 VanDerWaalsContact CB-O 3.3Å; Y203-K248 WeakPolarHBondContact CB-O 3.5Å; Y203-K248 PolarHBondContact N-O 2.93Å; Y230-K248 HydrophobicContact CD1-CD 4.24Å; Y230-K248 HydrophobicContact CD2-CB 3.87Å; Y230-K248 HydrophobicContact CD2-CD 3.87Å; Y230-K248 HydrophobicContact CD2-CG 3.66Å; Y230-K248 HydrophobicContact CE1-CD 4.19Å; Y230-K248 HydrophobicContact CE2-CD 3.84Å; Y230-K248 HydrophobicContact CE2-CG 3.93Å; Y230-K248 HydrophobicContact CG-CB 3.98Å; Y230-K248 HydrophobicContact CG-CD 4.09Å; Y230-K248 HydrophobicContact CG-CG 4.13Å; W231-K248 VanDerWaalsContact O-CA 3.23Å; W231-K248 WeakPolarHBondContact O-CA 3.44Å; L232-K248 HydrophobicContact CD1-CG 4.09Å; D243-K248 IonicContact OD2-NZ 3.45Å; D243-K248 PolarHBondContact OD2-NZ 3.44Å |
| 249 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.6 | 176.6 | -176 | 165.5 | 0 | 0 | 0 | 109.8 | F189 Y203 Y230 W231 F247 R251 E255 C256 I258 | F189-I249 HydrophobicContact CD2-CD1 4.14Å; Y203-I249 HydrophobicContact CD1-CB 4.49Å; Y203-I249 HydrophobicContact CD1-CD1 3.84Å; Y203-I249 HydrophobicContact CD1-CG1 3.93Å; Y203-I249 HydrophobicContact CE1-CD1 4.2Å; Y230-I249 CarbonylContact C-O 3.58Å; Y230-I249 VanDerWaalsContact CA-O 3.22Å; Y230-I249 WeakPolarHBondContact CA-O 3.35Å; Y230-I249 WeakPolarHBondContact CB-O 3.31Å; W231-I249 HydrophobicContact CB-CG2 3.92Å; W231-I249 PolarHBondContact N-O 2.76Å; W231-I249 PolarHBondContact O-N 3.45Å; W231-I249 VanDerWaalsContact O-N 3.13Å; F247-I249 HydrophobicContact CD2-CB 4.24Å; F247-I249 HydrophobicContact CE2-CB 4.03Å; F247-I249 HydrophobicContact CE2-CG2 4.05Å; I249-R251 PolarHBondContact O-N 3.13Å; I249-E255 HydrophobicContact CD1-CB 4.45Å; I249-E255 HydrophobicContact CD1-CG 4.16Å; I249-E255 HydrophobicContact CG1-CB 4.15Å; I249-E255 HydrophobicContact CG1-CG 3.9Å; I249-C256 HydrophobicContact CD1-CB 4.41Å; I249-I258 HydrophobicContact CD1-CB 4.2Å; I249-I258 HydrophobicContact CD1-CG1 4.44Å; I249-I258 HydrophobicContact CD1-CG2 4.47Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; I249-I258 HydrophobicContact CG2-CG1 3.85Å |
| 250 | L | 98.1 | Very high | 95 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 14% | 0.141 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 122.9 | -176.2 | -176.5 | 65.8 | 0 | 0 | 0 | 111.2 | V202 Y203 K204 I228 P229 T253 E255 | V202-L250 HydrophobicContact CG1-CB 4.16Å; Y203-L250 PolarHBondContact O-N 3.46Å; K204-L250 HydrophobicContact CD-CD2 4.06Å; K204-L250 HydrophobicContact CG-CD2 4.25Å; I228-L250 HydrophobicContact CG2-CD1 3.87Å; P229-L250 HydrophobicContact CG-CD1 4.42Å; L250-T253 HydrophobicContact CD2-CG2 4.33Å; L250-T253 WeakPolarHBondContact CD2-OG1 3.3Å; L250-T253 WeakPolarHBondContact CG-OG1 3.28Å; L250-E255 HydrophobicContact CB-CB 3.96Å; L250-E255 HydrophobicContact CB-CG 4.05Å; L250-E255 WeakPolarHBondContact O-CB 3.48Å |
| 251 | R | 98.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 149.4 | -179.1 | 167.3 | 171.7 | 55.7 | 80.4 | -0.8 | 111.5 | E172 G222 P229 Y230 W231 I249 T253 | E172-R251 HydrophobicContact CG-CG 3.74Å; E172-R251 IonicContact OE1-CZ 2.67Å; E172-R251 IonicContact OE1-NH1 3.84Å; E172-R251 PolarHBondContact OE1-NH1 3.24Å; G222-R251 PolarHBondContact O-NH2 3.1Å; P229-R251 HydrophobicContact CB-CB 4.24Å; P229-R251 VanDerWaalsContact CB-CZ 3.49Å; P229-R251 VanDerWaalsContact CB-NH2 3.29Å; P229-R251 WeakPolarHBondContact CG-O 3.5Å; P229-R251 PolarHBondContact O-N 3.02Å; P229-R251 VanDerWaalsContact O-N 3.1Å; Y230-R251 VanDerWaalsContact C-CB 3.48Å; Y230-R251 PolarHBondContact O-NE 3.48Å; W231-R251 HydrophobicContact CD2-CB 4.17Å; W231-R251 HydrophobicContact CD2-CG 3.99Å; W231-R251 VanDerWaalsContact CE2-CD 3.5Å; W231-R251 VanDerWaalsContact CE2-CG 3.46Å; W231-R251 HydrophobicContact CG-CB 4Å; W231-R251 HydrophobicContact CG-CG 4.34Å; W231-R251 HydrophobicContact CH2-CG 4.46Å; W231-R251 HydrophobicContact CZ2-CG 3.73Å; I249-R251 PolarHBondContact O-N 3.13Å; R251-T253 VanDerWaalsContact C-N 3.34Å |
| 252 | G | 97.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 30 Ų | 30 | 38% | 0.381 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 8.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | E172 E259 | E172-G252 WeakPolarHBondContact OE2-CA 3.12Å; G252-E259 PolarHBondContact N-OE1 3.49Å |
| 253 | T | 97.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 29.6 Ų | 29.6 | 52% | 0.521 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 7.1 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | L250 R251 E255 | L250-T253 HydrophobicContact CD2-CG2 4.33Å; L250-T253 WeakPolarHBondContact CD2-OG1 3.3Å; L250-T253 WeakPolarHBondContact CG-OG1 3.28Å; R251-T253 VanDerWaalsContact C-N 3.34Å; T253-E255 PolarHBondContact O-N 2.57Å |
| 254 | N | 98.1 | Very high | 96.4 | Very high | 63 Ų | 63 | 28.1 Ų | 28.1 | 34% | 0.337 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 41.3 | -172.2 | -167.7 | 27.5 | 0 | 0 | 0 | 112.1 | C256 G257 I258 E259 S260 | N254-C256 PolarHBondContact O-N 3.09Å; N254-G257 WeakPolarHBondContact O-CA 3.39Å; N254-G257 PolarHBondContact O-N 3.4Å; N254-G257 VanDerWaalsContact OD1-CA 3.23Å; N254-G257 WeakPolarHBondContact OD1-CA 3.28Å; N254-G257 PolarHBondContact OD1-O 3.02Å; N254-I258 PolarHBondContact OD1-N 3.1Å; N254-E259 VanDerWaalsContact CA-OE2 3.31Å; N254-E259 WeakPolarHBondContact CA-OE2 3.43Å; N254-E259 HydrophobicContact CB-CB 4.29Å; N254-E259 PolarHBondContact N-OE2 2.89Å; N254-E259 WeakPolarHBondContact OD1-CA 3.23Å; N254-E259 WeakPolarHBondContact OD1-CB 3.37Å; N254-E259 PolarHBondContact OD1-N 2.93Å; N254-S260 VanDerWaalsContact CG-OG 3.29Å; N254-S260 PolarHBondContact ND2-OG 3.46Å; N254-S260 PolarHBondContact OD1-N 2.76Å; N254-S260 PolarHBondContact OD1-OG 3.3Å |
| 255 | E | 98.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -53.6 | 124.9 | -176.6 | 179.7 | 62 | -152.2 | 0 | 0 | 110 | H205 I249 L250 T253 G257 I258 | H205-E255 PolarHBondContact N-OE1 3.05Å; I249-E255 HydrophobicContact CD1-CB 4.45Å; I249-E255 HydrophobicContact CD1-CG 4.16Å; I249-E255 HydrophobicContact CG1-CB 4.15Å; I249-E255 HydrophobicContact CG1-CG 3.9Å; L250-E255 HydrophobicContact CB-CB 3.96Å; L250-E255 HydrophobicContact CB-CG 4.05Å; L250-E255 WeakPolarHBondContact O-CB 3.48Å; T253-E255 PolarHBondContact O-N 2.57Å; E255-G257 PolarHBondContact O-N 3.45Å; E255-I258 WeakPolarHBondContact O-CB 3.49Å; E255-I258 WeakPolarHBondContact O-CG2 3.22Å; E255-I258 PolarHBondContact O-N 2.6Å |
| 256 | C | 98 | Very high | 97.3 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 10% | 0.101 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 53 | 23.7 | -175.2 | -61.5 | 0 | 0 | 0 | 0 | 114.5 | F189 Y190 Y192 I249 N254 I258 | F189-C256 CarbonylContact C-O 3.57Å; F189-C256 WeakPolarHBondContact CA-O 3.26Å; F189-C256 HydrophobicContact CB-CB 4.37Å; F189-C256 WeakPolarHBondContact CB-O 3.28Å; F189-C256 HydrophobicContact CD2-CB 4.09Å; Y190-C256 WeakPolarHBondContact CD2-O 3.33Å; Y190-C256 PolarHBondContact N-O 3.14Å; Y190-C256 WeakPolarHBondContact O-CB 3.32Å; Y192-C256 HydrophobicContact CE2-CB 4.45Å; I249-C256 HydrophobicContact CD1-CB 4.41Å; N254-C256 PolarHBondContact O-N 3.09Å; C256-I258 VanDerWaalsContact C-N 3.35Å |
| 257 | G | 97.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | 78.2 | 10.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N254 E255 E259 S260 | N254-G257 WeakPolarHBondContact O-CA 3.39Å; N254-G257 PolarHBondContact O-N 3.4Å; N254-G257 VanDerWaalsContact OD1-CA 3.23Å; N254-G257 WeakPolarHBondContact OD1-CA 3.28Å; N254-G257 PolarHBondContact OD1-O 3.02Å; E255-G257 PolarHBondContact O-N 3.45Å; G257-E259 PolarHBondContact O-N 3.32Å; G257-S260 WeakPolarHBondContact O-CB 3.18Å; G257-S260 PolarHBondContact O-N 3.12Å; G257-S260 PolarHBondContact O-OG 3.17Å |
| 258 | I | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.9 | -173.6 | -170.1 | 67.3 | 0 | 0 | 0 | 114.9 | F189 I216 I218 I249 N254 E255 C256 | F189-I258 HydrophobicContact CB-CB 4.13Å; F189-I258 HydrophobicContact CB-CD1 3.79Å; F189-I258 HydrophobicContact CD1-CD1 4.14Å; F189-I258 HydrophobicContact CG-CD1 4.12Å; I216-I258 HydrophobicContact CD1-CD1 4Å; I216-I258 HydrophobicContact CG1-CD1 4.24Å; I218-I258 HydrophobicContact CD1-CD1 4.45Å; I218-I258 HydrophobicContact CD1-CG1 4.42Å; I249-I258 HydrophobicContact CD1-CB 4.2Å; I249-I258 HydrophobicContact CD1-CG1 4.44Å; I249-I258 HydrophobicContact CD1-CG2 4.47Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; I249-I258 HydrophobicContact CG2-CG1 3.85Å; N254-I258 PolarHBondContact OD1-N 3.1Å; E255-I258 WeakPolarHBondContact O-CB 3.49Å; E255-I258 WeakPolarHBondContact O-CG2 3.22Å; E255-I258 PolarHBondContact O-N 2.6Å; C256-I258 VanDerWaalsContact C-N 3.35Å |
| 259 | E | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -2.2 | 179.8 | -68.4 | 154.3 | -169.4 | 0 | 0 | 112.3 | S170 I175 W231 G252 N254 G257 | S170-E259 VanDerWaalsContact CA-O 3.27Å; S170-E259 WeakPolarHBondContact CA-O 3.38Å; S170-E259 VanDerWaalsContact CB-O 3.23Å; S170-E259 WeakPolarHBondContact CB-O 3.44Å; S170-E259 PolarHBondContact OG-O 3.06Å; S170-E259 VanDerWaalsContact OG-O 3.12Å; I175-E259 HydrophobicContact CD1-CB 3.73Å; I175-E259 HydrophobicContact CD1-CG 3.7Å; W231-E259 HydrophobicContact CZ2-CG 4.38Å; W231-E259 PolarHBondContact NE1-OE1 2.84Å; G252-E259 PolarHBondContact N-OE1 3.49Å; N254-E259 VanDerWaalsContact CA-OE2 3.31Å; N254-E259 WeakPolarHBondContact CA-OE2 3.43Å; N254-E259 HydrophobicContact CB-CB 4.29Å; N254-E259 PolarHBondContact N-OE2 2.89Å; N254-E259 WeakPolarHBondContact OD1-CA 3.23Å; N254-E259 WeakPolarHBondContact OD1-CB 3.37Å; N254-E259 PolarHBondContact OD1-N 2.93Å; G257-E259 PolarHBondContact O-N 3.32Å |
| 260 | S | 97.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -28.9 | -171.9 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | N254 G257 | N254-S260 VanDerWaalsContact CG-OG 3.29Å; N254-S260 PolarHBondContact ND2-OG 3.46Å; N254-S260 PolarHBondContact OD1-N 2.76Å; N254-S260 PolarHBondContact OD1-OG 3.3Å; G257-S260 WeakPolarHBondContact O-CB 3.18Å; G257-S260 PolarHBondContact O-N 3.12Å; G257-S260 PolarHBondContact O-OG 3.17Å |
| 261 | M | 94 | Very high | 95 | Very high | 90 Ų | 90 | 45 Ų | 45 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -130 | 60.3 | -173.6 | -65.3 | -172.1 | -64.9 | 0 | 0 | 110.8 | G187 G188 | G187-M261 WeakPolarHBondContact CA-O 3.39Å; G188-M261 PolarHBondContact N-O 3.45Å; G188-M261 VanDerWaalsContact N-O 3.13Å |
| 262 | V | 97.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -97.1 | 121.3 | 176.7 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | V168 I175 V185 E186 I218 | V168-V262 HydrophobicContact CB-CB 4.05Å; V168-V262 HydrophobicContact CB-CG1 3.82Å; V168-V262 HydrophobicContact CG2-CB 4.43Å; V168-V262 HydrophobicContact CG2-CG1 3.75Å; V168-V262 PolarHBondContact N-O 3.26Å; I175-V262 HydrophobicContact CD1-CG2 3.76Å; I175-V262 HydrophobicContact CG1-CB 4.36Å; I175-V262 HydrophobicContact CG1-CG1 4.38Å; I175-V262 HydrophobicContact CG1-CG2 4.07Å; I175-V262 HydrophobicContact CG2-CG1 4.46Å; V185-V262 HydrophobicContact CB-CG1 3.7Å; V185-V262 HydrophobicContact CG1-CG1 4.22Å; V185-V262 HydrophobicContact CG2-CG1 3.49Å; V185-V262 VanDerWaalsContact CG2-CG1 3.49Å; E186-V262 CarbonylContact O-C 3.36Å; E186-V262 WeakPolarHBondContact O-CA 3.39Å; I218-V262 HydrophobicContact CD1-CG2 4.23Å | ||
| 263 | T | 97.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.6 | -177.6 | -47.5 | 0 | 0 | 0 | 0 | 110.3 | W93 E186 | W93-T263 HydrophobicContact CB-CG2 4.06Å; W93-T263 HydrophobicContact CD2-CG2 4.37Å; W93-T263 HydrophobicContact CG-CG2 3.65Å; E186-T263 PolarHBondContact N-O 3.35Å; E186-T263 PolarHBondContact O-N 2.92Å |
| 264 | A | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y166 V168 E178 V185 | Y166-A264 HydrophobicContact CD2-CB 4.21Å; Y166-A264 HydrophobicContact CE2-CB 3.64Å; Y166-A264 PolarHBondContact N-O 2.83Å; Y166-A264 PolarHBondContact O-N 2.88Å; Y166-A264 VanDerWaalsContact O-O 3.07Å; V168-A264 HydrophobicContact CG2-CB 4.17Å; E178-A264 HydrophobicContact CG-CB 4.33Å; V185-A264 HydrophobicContact CG1-CB 4.07Å |
| 265 | G | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 166.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R55 S164 | R55-G265 VanDerWaalsContact CD-O 3.3Å; R55-G265 WeakPolarHBondContact CD-O 3.41Å; R55-G265 PolarHBondContact NH1-O 2.96Å; S164-G265 CarbonylContact O-C 3.58Å; S164-G265 WeakPolarHBondContact O-CA 3.41Å |
| 266 | L | 98.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.6 | 174.6 | -64.9 | 176 | 0 | 0 | 0 | 109.6 | H59 G162 K163 S164 Y166 N182 | H59-L266 VanDerWaalsContact CE1-CD2 3.45Å; H59-L266 WeakPolarHBondContact CE1-CD2 3.21Å; G162-L266 CarbonylContact C-O 3.55Å; K163-L266 WeakPolarHBondContact CB-O 3.47Å; K163-L266 PolarHBondContact N-O 2.95Å; S164-L266 PolarHBondContact N-O 3.43Å; S164-L266 PolarHBondContact O-N 3.02Å; S164-L266 VanDerWaalsContact O-N 3.12Å; Y166-L266 HydrophobicContact CE1-CG 4.15Å; N182-L266 HydrophobicContact CB-CD2 4.3Å |
| 267 | P | 97.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 147.9 | 179.6 | 30 | -35 | 0 | 0 | 0 | 112 | I56 H59 W96 L269 | I56-P267 HydrophobicContact CG1-CB 3.75Å; H59-P267 HydrophobicContact CB-CG 3.59Å; W96-P267 VanDerWaalsContact CH2-CA 3.45Å; W96-P267 HydrophobicContact CH2-CB 3.81Å; W96-P267 HydrophobicContact CZ2-CB 3.85Å; P267-L269 HydrophobicContact CB-CD2 4.02Å; P267-L269 HydrophobicContact CB-CG 4.46Å; P267-L269 HydrophobicContact CG-CD2 4.1Å; P267-L269 HydrophobicContact CG-CG 4.3Å |
| 268 | N | 97.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 33% | 0.326 | 25% | 0.246 | S | C | . | . | trans | -89.1 | 105.3 | 165.5 | -175.3 | 8.3 | 0 | 0 | 0 | 109.6 | Y161 K163 H270 | Y161-N268 WeakPolarHBondContact O-CB 3.28Å; Y161-N268 PolarHBondContact O-N 3.31Å; K163-N268 HydrophobicContact CB-CB 4.17Å; N268-H270 PolarHBondContact OD1-N 3.09Å; N268-H270 PolarHBondContact OD1-O 3.26Å | ||
| 269 | L | 93.2 | Very high | 93.2 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | trans | -91.3 | -3.1 | -177.9 | -57.4 | 178.1 | 0 | 0 | 0 | 113.7 | I56 H59 I64 P267 | I56-L269 HydrophobicContact CG2-CD2 4.48Å; H59-L269 VanDerWaalsContact C-CD1 3.46Å; H59-L269 HydrophobicContact CB-CD1 4Å; H59-L269 VanDerWaalsContact O-CD1 3.3Å; H59-L269 WeakPolarHBondContact O-CD1 2.86Å; I64-L269 HydrophobicContact CD1-CD2 4.37Å; P267-L269 HydrophobicContact CB-CD2 4.02Å; P267-L269 HydrophobicContact CB-CG 4.46Å; P267-L269 HydrophobicContact CG-CD2 4.1Å; P267-L269 HydrophobicContact CG-CG 4.3Å | ||
| 270 | H | 80.6 | Confident | 92.8 | Very high | 160 Ų | 160 | 56.6 Ų | 56.6 | 74% | 0.741 | 28% | 0.283 | S | S | * | . | trans | -93.8 | 98.2 | 175.8 | -58.1 | -71.4 | 0 | 0 | 0 | 108.4 | N268 | N268-H270 PolarHBondContact OD1-N 3.09Å; N268-H270 PolarHBondContact OD1-O 3.26Å | ||
| 271 | K | 63.3 | Low | 92.4 | Very high | 183 Ų | 183 | 56.9 Ų | 56.9 | 80% | 0.796 | 28% | 0.275 | S | S | * | . | trans | -87.1 | 0 | 167.3 | -76.7 | -167.8 | 176.1 | -170.5 | 0 | 110.8 | K159 F160 | K159-K271 WeakPolarHBondContact O-CE 3.37Å; K159-K271 PolarHBondContact O-NZ 2.94Å; F160-K271 VanDerWaalsContact CZ-NZ 3.33Å |
Retrieved 271 of 271 residues in 96.9 ms
(Link to these results)