| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.8 | Very low | 49.7 | Very low | 198 Ų | 198 | 65.7 Ų | 65.7 | 98% | 0.975 | 31% | 0.314 | S | S | * | . | 0 | 125.1 | 0 | -75.9 | 174.7 | -171.9 | 0 | 0 | 107.4 | F3 | M1-F3 PolarHBondContact O-N 2.86Š| |||
| 2 | K | 43.9 | Very low | 49.5 | Very low | 211 Ų | 211 | 65.3 Ų | 65.3 | 92% | 0.917 | 31% | 0.314 | S | S | * | . | trans | -63.7 | 114.4 | 161.7 | -80.7 | -176.1 | 175.5 | -177.3 | 0 | 105.6 | P4 | K2-P4 VanDerWaalsContact O-CD 3.31Å; K2-P4 WeakPolarHBondContact O-CD 3.46Å | ||
| 3 | F | 48.3 | Very low | 49.3 | Very low | 56 Ų | 56 | 61.2 Ų | 61.2 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | trans | -73.9 | 118 | -177.1 | -100.9 | -92.4 | 0 | 0 | 0 | 108.9 | M1 I5 F137 L164 A167 | M1-F3 PolarHBondContact O-N 2.86Å; F3-I5 HydrophobicContact CB-CD1 4.34Å; F3-I5 HydrophobicContact CB-CG1 4.26Å; F3-I5 HydrophobicContact CD1-CD1 3.84Å; F3-I5 HydrophobicContact CD1-CG1 4.04Å; F3-I5 HydrophobicContact CG-CD1 4.42Å; F3-I5 PolarHBondContact O-N 3.2Å; F3-F137 HydrophobicContact CD1-CE1 4.24Å; F3-F137 HydrophobicContact CD1-CZ 4.04Å; F3-F137 HydrophobicContact CE1-CE1 4.11Å; F3-F137 HydrophobicContact CE1-CZ 4.12Å; F3-L164 HydrophobicContact CB-CD2 4.05Å; F3-L164 HydrophobicContact CD2-CD2 3.32Å; F3-L164 HydrophobicContact CE2-CD2 3.88Å; F3-L164 HydrophobicContact CG-CD2 3.76Å; F3-A167 HydrophobicContact CE1-CB 4.49Å; F3-A167 HydrophobicContact CE2-CB 3.89Å; F3-A167 HydrophobicContact CZ-CB 3.45Å; F3-A167 VanDerWaalsContact CZ-CB 3.45Å | ||
| 4 | P | 52 | Low | 48.9 | Very low | 41 Ų | 41 | 68.9 Ų | 68.9 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | trans | -80.7 | 51.5 | 178.1 | 31.3 | -29.4 | 0 | 0 | 0 | 110.9 | K2 L6 R92 V94 | K2-P4 VanDerWaalsContact O-CD 3.31Å; K2-P4 WeakPolarHBondContact O-CD 3.46Å; P4-L6 PolarHBondContact O-N 2.81Å; P4-R92 HydrophobicContact CB-CB 4.37Å; P4-R92 WeakPolarHBondContact CB-O 3.13Å; P4-R92 HydrophobicContact CG-CB 4.28Å; P4-V94 HydrophobicContact CG-CG2 4.29Å; P4-V94 WeakPolarHBondContact O-CB 3.35Å; P4-V94 PolarHBondContact O-N 3.13Å | ||
| 5 | I | 51.6 | Low | 48.4 | Very low | 22 Ų | 22 | 73.7 Ų | 73.7 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 101.8 | 176.4 | -60.7 | 173.1 | 0 | 0 | 0 | 107.4 | F3 V8 F137 R160 | F3-I5 HydrophobicContact CB-CD1 4.34Å; F3-I5 HydrophobicContact CB-CG1 4.26Å; F3-I5 HydrophobicContact CD1-CD1 3.84Å; F3-I5 HydrophobicContact CD1-CG1 4.04Å; F3-I5 HydrophobicContact CG-CD1 4.42Å; F3-I5 PolarHBondContact O-N 3.2Å; I5-V8 HydrophobicContact CG2-CG2 3.93Å; I5-F137 HydrophobicContact CD1-CE1 4.37Å; I5-F137 HydrophobicContact CG1-CE1 4.19Å; I5-F137 HydrophobicContact CG1-CZ 4.26Å; I5-R160 HydrophobicContact CG2-CG 4.49Å |
| 6 | L | 50.8 | Low | 48 | Very low | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -49.2 | -174.6 | -138.5 | 79.5 | 0 | 0 | 0 | 111.9 | P4 Q32 H93 V94 R160 | P4-L6 PolarHBondContact O-N 2.81Å; L6-Q32 HydrophobicContact CD2-CB 3.85Å; L6-Q32 HydrophobicContact CD2-CG 4.3Å; L6-Q32 HydrophobicContact CG-CB 4.34Å; L6-Q32 VanDerWaalsContact CG-OE1 3.23Å; L6-Q32 PolarHBondContact O-NE2 3.47Å; L6-H93 HydrophobicContact CD1-CB 4.2Å; L6-H93 WeakPolarHBondContact CD1-CD2 3.4Å; L6-H93 HydrophobicContact CD2-CB 4.32Å; L6-V94 PolarHBondContact N-O 3.48Å; L6-R160 PolarHBondContact O-NH2 3.45Å |
| 7 | A | 53.3 | Low | 47.7 | Very low | 6 Ų | 6 | 72.5 Ų | 72.5 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 135.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L9 I96 | A7-L9 HydrophobicContact CB-CD2 4.46Å; A7-L9 HydrophobicContact CB-CG 4.23Å; A7-I96 PolarHBondContact O-N 3.46Å |
| 8 | V | 53.2 | Low | 47.7 | Very low | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110 | 164.6 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | I5 I96 V156 F159 R160 | I5-V8 HydrophobicContact CG2-CG2 3.93Å; V8-I96 CarbonylContact C-O 3.59Å; V8-I96 VanDerWaalsContact CA-O 3.22Å; V8-I96 WeakPolarHBondContact CA-O 3.23Å; V8-V156 HydrophobicContact CB-CB 4.5Å; V8-V156 HydrophobicContact CB-CG1 3.79Å; V8-V156 HydrophobicContact CB-CG2 4.24Å; V8-V156 HydrophobicContact CG1-CG2 4.44Å; V8-V156 HydrophobicContact CG2-CG1 4.22Å; V8-V156 WeakPolarHBondContact O-CG2 3.31Å; V8-F159 HydrophobicContact CB-CD1 4.32Å; V8-F159 HydrophobicContact CG1-CB 4.42Å; V8-F159 HydrophobicContact CG1-CD1 3.67Å; V8-F159 HydrophobicContact CG1-CD2 4.23Å; V8-F159 HydrophobicContact CG1-CE1 3.91Å; V8-F159 HydrophobicContact CG1-CE2 4.41Å; V8-F159 HydrophobicContact CG1-CG 3.86Å; V8-F159 HydrophobicContact CG1-CZ 4.28Å; V8-F159 HydrophobicContact CG2-CD1 3.69Å; V8-F159 HydrophobicContact CG2-CE1 3.95Å; V8-R160 HydrophobicContact CG2-CG 4.14Å |
| 9 | L | 55.6 | Low | 47.6 | Very low | 20 Ų | 20 | 74.1 Ų | 74.1 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.8 | -173.1 | -62.8 | 170.6 | 0 | 0 | 0 | 110.4 | A7 I25 E28 I96 A97 R98 | A7-L9 HydrophobicContact CB-CD2 4.46Å; A7-L9 HydrophobicContact CB-CG 4.23Å; L9-I25 HydrophobicContact CD1-CB 4.28Å; L9-I25 HydrophobicContact CD1-CG1 3.9Å; L9-E28 HydrophobicContact CD1-CB 4.09Å; L9-E28 HydrophobicContact CD1-CG 4.25Å; L9-E28 HydrophobicContact CD2-CB 4.1Å; L9-E28 HydrophobicContact CD2-CG 3.69Å; L9-I96 PolarHBondContact N-O 3.29Å; L9-A97 HydrophobicContact CB-CB 4.48Å; L9-R98 PolarHBondContact O-N 3.38Å |
| 10 | K | 49.7 | Very low | 47.7 | Very low | 134 Ų | 134 | 73.1 Ų | 73.1 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.4 | 170.2 | -171.1 | 177.2 | -177.7 | 178.5 | 0 | 107.8 | T100 | K10-T100 HydrophobicContact CG-CG2 4.06Å |
| 11 | C | 52.6 | Low | 48 | Very low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.4 | -174.2 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | E16 L21 R98 L99 T100 | C11-E16 WeakPolarHBondContact CB-OE2 3.4Å; C11-L21 HydrophobicContact CB-CD1 3.15Å; C11-L21 WeakPolarHBondContact SG-CD1 3.21Å; C11-R98 PolarHBondContact N-O 2.99Å; C11-R98 VanDerWaalsContact N-O 3.1Å; C11-L99 HydrophobicContact CB-CD2 4.17Å; C11-T100 WeakPolarHBondContact O-CG2 3.36Å; C11-T100 PolarHBondContact O-N 2.96Å; C11-T100 PolarHBondContact O-OG1 3.47Å |
| 12 | N | 46.8 | Very low | 48.9 | Very low | 60 Ų | 60 | 65.1 Ų | 65.1 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | trans | -102.4 | 108 | 178.7 | -165.6 | -13.3 | 0 | 0 | 0 | 109.5 | F14 L15 E16 T100 | N12-F14 VanDerWaalsContact C-N 3.3Å; N12-F14 PolarHBondContact O-N 3.1Å; N12-L15 PolarHBondContact O-N 3.22Å; N12-E16 PolarHBondContact N-OE2 3.47Å; N12-E16 WeakPolarHBondContact O-CB 3.35Å; N12-E16 PolarHBondContact O-N 2.9Å; N12-E16 VanDerWaalsContact O-N 3.15Å; N12-T100 WeakPolarHBondContact CA-OG1 3.37Å; N12-T100 PolarHBondContact OD1-OG1 3.04Å | ||
| 13 | P | 47.3 | Very low | 49.5 | Very low | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.078 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | -172.1 | 23.7 | -30.5 | 0 | 0 | 0 | 111.7 | L15 E16 V17 T100 H101 T103 | P13-L15 PolarHBondContact O-N 3.37Å; P13-L15 VanDerWaalsContact O-N 3.09Å; P13-E16 PolarHBondContact O-N 3.02Å; P13-V17 HydrophobicContact CB-CG2 4.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.44Å; P13-V17 PolarHBondContact O-N 3.43Å; P13-T100 WeakPolarHBondContact CD-OG1 3.24Å; P13-H101 HydrophobicContact CG-CB 3.78Å; P13-T103 HydrophobicContact CB-CG2 4.4Å; P13-T103 VanDerWaalsContact CB-OG1 3.31Å; P13-T103 WeakPolarHBondContact CB-OG1 3.2Å |
| 14 | F | 44.2 | Very low | 50 | Low | 169 Ų | 169 | 60.6 Ų | 60.6 | 74% | 0.741 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.2 | -26.2 | -177.6 | -68.6 | -74.4 | 0 | 0 | 0 | 114.8 | N12 H101 | N12-F14 VanDerWaalsContact C-N 3.3Å; N12-F14 PolarHBondContact O-N 3.1Å; F14-H101 AromaticContact CD2-CD2 3.58Å; F14-H101 HydrophobicContact CE2-CB 4.1Å; F14-H101 AromaticContact CE2-CD2 3.46Å; F14-H101 VanDerWaalsContact CE2-CD2 3.46Å; F14-H101 WeakPolarHBondContact CE2-CD2 3.4Å; F14-H101 AromaticContact CE2-CG 3.75Å |
| 15 | L | 41.3 | Very low | 50.4 | Low | 141 Ų | 141 | 59.1 Ų | 59.1 | 74% | 0.738 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -98.9 | -17.4 | 175 | -80.2 | 155.7 | 0 | 0 | 0 | 112.7 | N12 P13 | N12-L15 PolarHBondContact O-N 3.22Å; P13-L15 PolarHBondContact O-N 3.37Å; P13-L15 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 41.4 | Very low | 50.9 | Low | 26 Ų | 26 | 59.1 Ų | 59.1 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -127.9 | 10.7 | -164.1 | -60.4 | -178.3 | 154 | 0 | 0 | 115.1 | C11 N12 P13 G18 P20 L21 R24 | C11-E16 WeakPolarHBondContact CB-OE2 3.4Å; N12-E16 PolarHBondContact N-OE2 3.47Å; N12-E16 WeakPolarHBondContact O-CB 3.35Å; N12-E16 PolarHBondContact O-N 2.9Å; N12-E16 VanDerWaalsContact O-N 3.15Å; P13-E16 PolarHBondContact O-N 3.02Å; E16-G18 PolarHBondContact O-N 3.41Å; E16-P20 HydrophobicContact CB-CB 3.94Å; E16-P20 HydrophobicContact CG-CB 4Å; E16-L21 HydrophobicContact CB-CB 4.21Å; E16-L21 WeakPolarHBondContact O-CB 3.37Å; E16-L21 PolarHBondContact O-N 2.86Å; E16-R24 WeakPolarHBondContact OE1-CD 3.43Å; E16-R24 IonicContact OE1-CZ 3.83Å; E16-R24 IonicContact OE1-NH1 2.79Å; E16-R24 PolarHBondContact OE1-NH1 3.35Å; E16-R24 IonicContact OE2-NH1 3.99Å |
| 17 | V | 43 | Very low | 51.4 | Low | 102 Ų | 102 | 63.5 Ų | 63.5 | 62% | 0.618 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 128.3 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | P13 L19 | P13-V17 HydrophobicContact CB-CG2 4.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.44Å; P13-V17 PolarHBondContact O-N 3.43Å; V17-L19 PolarHBondContact O-N 2.81Å |
| 18 | G | 48 | Very low | 51.7 | Low | 35 Ų | 35 | 66.2 Ų | 66.2 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -84.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E16 R22 | E16-G18 PolarHBondContact O-N 3.41Å; G18-R22 WeakPolarHBondContact O-CD 3.35Å; G18-R22 WeakPolarHBondContact O-CG 3.47Å; G18-R22 PolarHBondContact O-NE 3.22Å; G18-R22 VanDerWaalsContact O-NE 3.16Å |
| 19 | L | 45.3 | Very low | 51.9 | Low | 139 Ų | 139 | 65.7 Ų | 65.7 | 73% | 0.728 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -42.5 | -173.7 | -132.5 | 79.5 | 0 | 0 | 0 | 114.2 | V17 R22 A23 | V17-L19 PolarHBondContact O-N 2.81Å; L19-R22 PolarHBondContact O-N 2.99Å; L19-A23 WeakPolarHBondContact O-CB 3.24Å; L19-A23 PolarHBondContact O-N 3.01Å |
| 20 | P | 50.1 | Low | 51.9 | Low | 55 Ų | 55 | 67.3 Ų | 67.3 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73 | -39.9 | -173 | -16.2 | 29.3 | 0 | 0 | 0 | 113.2 | E16 R22 A23 R24 | E16-P20 HydrophobicContact CB-CB 3.94Å; E16-P20 HydrophobicContact CG-CB 4Å; P20-R22 VanDerWaalsContact C-N 3.3Å; P20-R22 PolarHBondContact O-N 3.22Å; P20-A23 PolarHBondContact O-N 3.49Å; P20-R24 VanDerWaalsContact O-CB 3.32Å; P20-R24 WeakPolarHBondContact O-CB 3.43Å; P20-R24 PolarHBondContact O-N 3.15Å |
| 21 | L | 53.5 | Low | 52.1 | Low | 29 Ų | 29 | 66.1 Ų | 66.1 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174 | -172.5 | 84.5 | 0 | 0 | 0 | 110.9 | C11 E16 R24 I25 L99 I115 | C11-L21 HydrophobicContact CB-CD1 3.15Å; C11-L21 WeakPolarHBondContact SG-CD1 3.21Å; E16-L21 HydrophobicContact CB-CB 4.21Å; E16-L21 WeakPolarHBondContact O-CB 3.37Å; E16-L21 PolarHBondContact O-N 2.86Å; L21-R24 PolarHBondContact O-N 3.34Å; L21-I25 HydrophobicContact CD1-CD1 4.47Å; L21-I25 HydrophobicContact CD2-CD1 4.35Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CG1 3.37Å; L21-I25 PolarHBondContact O-N 2.67Å; L21-L99 HydrophobicContact CD1-CD2 4.2Å; L21-L99 HydrophobicContact CD2-CD2 4.46Å; L21-I115 HydrophobicContact CD2-CD1 3.96Å |
| 22 | R | 55.9 | Low | 52.3 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 176.4 | -73.4 | 178.7 | -170.5 | 177.7 | 0.2 | 110.9 | G18 L19 P20 R24 I26 F46 | G18-R22 WeakPolarHBondContact O-CD 3.35Å; G18-R22 WeakPolarHBondContact O-CG 3.47Å; G18-R22 PolarHBondContact O-NE 3.22Å; G18-R22 VanDerWaalsContact O-NE 3.16Å; L19-R22 PolarHBondContact O-N 2.99Å; P20-R22 VanDerWaalsContact C-N 3.3Å; P20-R22 PolarHBondContact O-N 3.22Å; R22-R24 PolarHBondContact O-N 3.29Å; R22-I26 WeakPolarHBondContact O-CB 3.42Å; R22-I26 WeakPolarHBondContact O-CD1 3.5Å; R22-I26 WeakPolarHBondContact O-CG1 3.41Å; R22-I26 PolarHBondContact O-N 2.98Å; R22-F46 HydrophobicContact CG-CE2 4.48Å; R22-F46 HydrophobicContact CG-CZ 4.27Å |
| 23 | A | 56.6 | Low | 52.7 | Low | 61 Ų | 61 | 69.6 Ų | 69.6 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L19 P20 H27 | L19-A23 WeakPolarHBondContact O-CB 3.24Å; L19-A23 PolarHBondContact O-N 3.01Å; P20-A23 PolarHBondContact O-N 3.49Å; A23-H27 WeakPolarHBondContact O-CB 3.47Å; A23-H27 PolarHBondContact O-N 2.88Å |
| 24 | R | 58.2 | Low | 53 | Low | 110 Ų | 110 | 75 Ų | 75 | 42% | 0.415 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.6 | -42.3 | -176 | -167.4 | 171.7 | -179.4 | 179.5 | 0.6 | 113.5 | E16 P20 L21 R22 I26 H27 E28 | E16-R24 WeakPolarHBondContact OE1-CD 3.43Å; E16-R24 IonicContact OE1-CZ 3.83Å; E16-R24 IonicContact OE1-NH1 2.79Å; E16-R24 PolarHBondContact OE1-NH1 3.35Å; E16-R24 IonicContact OE2-NH1 3.99Å; P20-R24 VanDerWaalsContact O-CB 3.32Å; P20-R24 WeakPolarHBondContact O-CB 3.43Å; P20-R24 PolarHBondContact O-N 3.15Å; L21-R24 PolarHBondContact O-N 3.34Å; R22-R24 PolarHBondContact O-N 3.29Å; R24-I26 VanDerWaalsContact C-N 3.31Å; R24-H27 PolarHBondContact O-N 2.92Å; R24-E28 WeakPolarHBondContact O-CB 3.16Å; R24-E28 WeakPolarHBondContact O-CG 3.47Å; R24-E28 PolarHBondContact O-N 3.23Å |
| 25 | I | 60.1 | Low | 53.7 | Low | 11 Ų | 11 | 72.3 Ų | 72.3 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.7 | -67.2 | 170.8 | 0 | 0 | 0 | 109.6 | L9 L21 M29 A97 I117 | L9-I25 HydrophobicContact CD1-CB 4.28Å; L9-I25 HydrophobicContact CD1-CG1 3.9Å; L21-I25 HydrophobicContact CD1-CD1 4.47Å; L21-I25 HydrophobicContact CD2-CD1 4.35Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CG1 3.37Å; L21-I25 PolarHBondContact O-N 2.67Å; I25-M29 HydrophobicContact CG2-SD 4.1Å; I25-M29 WeakPolarHBondContact O-CG 3.21Å; I25-M29 PolarHBondContact O-N 3.32Å; I25-A97 HydrophobicContact CD1-CB 4.02Å; I25-A97 HydrophobicContact CG1-CB 4.47Å; I25-I117 HydrophobicContact CD1-CD1 4.4Å; I25-I117 HydrophobicContact CG2-CD1 3.77Å |
| 26 | I | 61 | Low | 54.6 | Low | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.108 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | -179 | -62.5 | 170.8 | 0 | 0 | 0 | 110.6 | R22 R24 E28 M29 D30 S38 | R22-I26 WeakPolarHBondContact O-CB 3.42Å; R22-I26 WeakPolarHBondContact O-CD1 3.5Å; R22-I26 WeakPolarHBondContact O-CG1 3.41Å; R22-I26 PolarHBondContact O-N 2.98Å; R24-I26 VanDerWaalsContact C-N 3.31Å; I26-E28 PolarHBondContact O-N 3.41Å; I26-M29 CarbonylContact O-C 3.32Å; I26-M29 WeakPolarHBondContact O-CA 3.38Å; I26-M29 WeakPolarHBondContact O-CB 3.36Å; I26-M29 PolarHBondContact O-N 3.33Å; I26-M29 VanDerWaalsContact O-N 3.07Å; I26-D30 WeakPolarHBondContact O-CB 3.37Å; I26-D30 PolarHBondContact O-N 3.17Å; I26-S38 WeakPolarHBondContact CG2-OG 3.28Å |
| 27 | H | 61.7 | Low | 55.6 | Low | 113 Ų | 113 | 68 Ų | 68 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 178.7 | -178 | -79.9 | 0 | 0 | 0 | 112.9 | A23 R24 M29 D30 I31 | A23-H27 WeakPolarHBondContact O-CB 3.47Å; A23-H27 PolarHBondContact O-N 2.88Å; R24-H27 PolarHBondContact O-N 2.92Å; H27-M29 PolarHBondContact O-N 2.99Å; H27-D30 WeakPolarHBondContact O-CB 3.38Å; H27-D30 PolarHBondContact O-N 2.89Å; H27-I31 WeakPolarHBondContact O-CG1 3.48Å; H27-I31 PolarHBondContact O-N 3.19Å; H27-I31 VanDerWaalsContact O-N 3.1Å |
| 28 | E | 59.6 | Low | 56.7 | Low | 63 Ų | 63 | 65.3 Ų | 65.3 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -25.9 | 175.7 | -74 | -79.1 | 171.6 | 0 | 0 | 112.8 | L9 R24 I26 | L9-E28 HydrophobicContact CD1-CB 4.09Å; L9-E28 HydrophobicContact CD1-CG 4.25Å; L9-E28 HydrophobicContact CD2-CB 4.1Å; L9-E28 HydrophobicContact CD2-CG 3.69Å; R24-E28 WeakPolarHBondContact O-CB 3.16Å; R24-E28 WeakPolarHBondContact O-CG 3.47Å; R24-E28 PolarHBondContact O-N 3.23Å; I26-E28 PolarHBondContact O-N 3.41Å |
| 29 | M | 58.3 | Low | 57.7 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.7 | -36.7 | 171.4 | -65.5 | -179.5 | 74.4 | 0 | 0 | 111.9 | I25 I26 H27 I31 Q32 F36 H93 A95 I119 | I25-M29 HydrophobicContact CG2-SD 4.1Å; I25-M29 WeakPolarHBondContact O-CG 3.21Å; I25-M29 PolarHBondContact O-N 3.32Å; I26-M29 CarbonylContact O-C 3.32Å; I26-M29 WeakPolarHBondContact O-CA 3.38Å; I26-M29 WeakPolarHBondContact O-CB 3.36Å; I26-M29 PolarHBondContact O-N 3.33Å; I26-M29 VanDerWaalsContact O-N 3.07Å; H27-M29 PolarHBondContact O-N 2.99Å; M29-I31 VanDerWaalsContact C-N 3.33Å; M29-I31 PolarHBondContact O-N 3.45Å; M29-Q32 PolarHBondContact O-N 2.96Å; M29-F36 HydrophobicContact CE-CE1 4.33Å; M29-F36 HydrophobicContact CE-CZ 4.28Å; M29-H93 HydrophobicContact CE-CB 4.37Å; M29-A95 HydrophobicContact CE-CB 4.36Å; M29-A95 HydrophobicContact CG-CB 4.32Å; M29-A95 HydrophobicContact SD-CB 3.82Å; M29-I119 HydrophobicContact CE-CD1 3.25Å; M29-I119 HydrophobicContact CE-CG1 3.79Å; M29-I119 HydrophobicContact SD-CD1 4.22Å |
| 30 | D | 55.9 | Low | 59 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 177.1 | -141.4 | -16.7 | 0 | 0 | 0 | 111.6 | I26 H27 Q32 F36 S38 | I26-D30 WeakPolarHBondContact O-CB 3.37Å; I26-D30 PolarHBondContact O-N 3.17Å; H27-D30 WeakPolarHBondContact O-CB 3.38Å; H27-D30 PolarHBondContact O-N 2.89Å; D30-Q32 PolarHBondContact O-N 3.28Å; D30-Q32 VanDerWaalsContact O-N 3.13Å; D30-F36 VanDerWaalsContact OD1-O 3.07Å; D30-S38 PolarHBondContact OD2-OG 3.38Å |
| 31 | I | 53.4 | Low | 59.9 | Low | 109 Ų | 109 | 64.9 Ų | 64.9 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.2 | 178.3 | -71 | 166.7 | 0 | 0 | 0 | 112.8 | H27 M29 | H27-I31 WeakPolarHBondContact O-CG1 3.48Å; H27-I31 PolarHBondContact O-N 3.19Å; H27-I31 VanDerWaalsContact O-N 3.1Å; M29-I31 VanDerWaalsContact C-N 3.33Å; M29-I31 PolarHBondContact O-N 3.45Å |
| 32 | Q | 56.3 | Low | 60.8 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -24.7 | -171.4 | -65.7 | -163 | 30.1 | 0 | 0 | 115 | L6 M29 D30 | L6-Q32 HydrophobicContact CD2-CB 3.85Å; L6-Q32 HydrophobicContact CD2-CG 4.3Å; L6-Q32 HydrophobicContact CG-CB 4.34Å; L6-Q32 VanDerWaalsContact CG-OE1 3.23Å; L6-Q32 PolarHBondContact O-NE2 3.47Å; M29-Q32 PolarHBondContact O-N 2.96Å; D30-Q32 PolarHBondContact O-N 3.28Å; D30-Q32 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 55.7 | Low | 61.6 | Low | 35 Ų | 35 | 68.3 Ų | 68.3 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | trans | -137.5 | 113.9 | 168.4 | -78.1 | -157.2 | 170.8 | 0 | 0 | 110.7 | E35 F36 H91 H93 | E33-E35 PolarHBondContact O-N 2.83Å; E33-E35 VanDerWaalsContact O-N 3.11Å; E33-F36 HydrophobicContact CB-CD2 4.28Å; E33-F36 WeakPolarHBondContact O-CB 3.31Å; E33-F36 PolarHBondContact O-N 3.42Å; E33-H91 IonicContact OE1-CD2 3.64Å; E33-H93 VanDerWaalsContact CD-NE2 3.33Å; E33-H93 IonicContact OE1-CE1 3.83Å; E33-H93 PolarHBondContact OE1-CE1 3.16Å; E33-H93 IonicContact OE1-NE2 3.61Å; E33-H93 PolarHBondContact OE1-NE2 3.23Å; E33-H93 IonicContact OE2-CE1 3Å; E33-H93 PolarHBondContact OE2-CE1 3.01Å; E33-H93 IonicContact OE2-NE2 2.82Å | ||
| 34 | P | 54.4 | Low | 62.4 | Low | 124 Ų | 124 | 66.8 Ų | 66.8 | 81% | 0.805 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.6 | -176.9 | 28.2 | -34.7 | 0 | 0 | 0 | 114.3 | F36 | P34-F36 PolarHBondContact O-N 3.47Š|
| 35 | E | 58 | Low | 63.1 | Low | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.3 | 174.4 | -65.4 | -172.9 | 171.2 | 0 | 0 | 112.7 | E33 T37 | E33-E35 PolarHBondContact O-N 2.83Å; E33-E35 VanDerWaalsContact O-N 3.11Å; E35-T37 PolarHBondContact O-N 3.47Å |
| 36 | F | 59.6 | Low | 63.7 | Low | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | trans | -74.3 | 115.4 | 173.8 | -104.7 | -105.7 | 0 | 0 | 0 | 111 | M29 D30 E33 P34 V41 L86 V89 I119 | M29-F36 HydrophobicContact CE-CE1 4.33Å; M29-F36 HydrophobicContact CE-CZ 4.28Å; D30-F36 VanDerWaalsContact OD1-O 3.07Å; E33-F36 HydrophobicContact CB-CD2 4.28Å; E33-F36 WeakPolarHBondContact O-CB 3.31Å; E33-F36 PolarHBondContact O-N 3.42Å; P34-F36 PolarHBondContact O-N 3.47Å; F36-V41 HydrophobicContact CD1-CG2 3.19Å; F36-V41 HydrophobicContact CE1-CB 4.47Å; F36-V41 HydrophobicContact CE1-CG2 3.19Å; F36-V41 HydrophobicContact CG-CG2 4.45Å; F36-V41 HydrophobicContact CZ-CG2 4.47Å; F36-L86 HydrophobicContact CE1-CD1 4.14Å; F36-L86 HydrophobicContact CZ-CD1 4.31Å; F36-V89 HydrophobicContact CD2-CG1 3.88Å; F36-V89 HydrophobicContact CE2-CG1 3.19Å; F36-V89 HydrophobicContact CZ-CG1 3.74Å; F36-I119 HydrophobicContact CE1-CD1 3.58Å; F36-I119 HydrophobicContact CZ-CB 4.28Å; F36-I119 HydrophobicContact CZ-CD1 3.63Å; F36-I119 HydrophobicContact CZ-CG1 4.5Å; F36-I119 HydrophobicContact CZ-CG2 3.79Å | ||
| 37 | T | 63.8 | Low | 64.1 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -89.5 | 117.1 | 159.1 | -38.9 | 0 | 0 | 0 | 0 | 108.3 | E35 E39 Q40 V41 | E35-T37 PolarHBondContact O-N 3.47Å; T37-E39 HydrophobicContact CG2-CB 4.26Å; T37-E39 PolarHBondContact O-N 2.91Å; T37-Q40 WeakPolarHBondContact O-CB 3.42Å; T37-Q40 PolarHBondContact O-N 3.31Å; T37-V41 PolarHBondContact O-N 3.27Å | ||
| 38 | S | 65.6 | Low | 64 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -42.7 | -36.1 | 174.4 | -77.1 | 0 | 0 | 0 | 0 | 113.6 | I26 D30 K42 | I26-S38 WeakPolarHBondContact CG2-OG 3.28Å; D30-S38 PolarHBondContact OD2-OG 3.38Å; S38-K42 WeakPolarHBondContact O-CB 3.48Å; S38-K42 PolarHBondContact O-N 2.88Å; S38-K42 VanDerWaalsContact O-N 3.16Å |
| 39 | E | 69.3 | Low | 63.5 | Low | 141 Ų | 141 | 66.3 Ų | 66.3 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 177 | -64.7 | -173.3 | 158.1 | 0 | 0 | 114 | T37 V41 K42 N43 | T37-E39 HydrophobicContact CG2-CB 4.26Å; T37-E39 PolarHBondContact O-N 2.91Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 2.91Å; E39-K42 WeakPolarHBondContact O-CB 3.37Å; E39-K42 PolarHBondContact O-N 3.14Å; E39-N43 VanDerWaalsContact O-CG 3.25Å; E39-N43 PolarHBondContact O-N 2.93Å; E39-N43 PolarHBondContact O-OD1 2.94Å |
| 40 | Q | 72.1 | Confident | 63.3 | Low | 75 Ų | 75 | 71.8 Ų | 71.8 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179.1 | -69.8 | 179 | 8.2 | 0 | 0 | 111.1 | T37 K42 N43 A44 L86 T88 | T37-Q40 WeakPolarHBondContact O-CB 3.42Å; T37-Q40 PolarHBondContact O-N 3.31Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; Q40-N43 PolarHBondContact O-N 2.98Å; Q40-A44 WeakPolarHBondContact O-CB 3.31Å; Q40-A44 PolarHBondContact O-N 2.89Å; Q40-L86 HydrophobicContact CB-CD2 4.32Å; Q40-T88 PolarHBondContact OE1-OG1 2.9Å |
| 41 | V | 70.1 | Confident | 63.2 | Low | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.7 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | F36 T37 E39 N43 A44 L45 L86 I119 | F36-V41 HydrophobicContact CD1-CG2 3.19Å; F36-V41 HydrophobicContact CE1-CB 4.47Å; F36-V41 HydrophobicContact CE1-CG2 3.19Å; F36-V41 HydrophobicContact CG-CG2 4.45Å; F36-V41 HydrophobicContact CZ-CG2 4.47Å; T37-V41 PolarHBondContact O-N 3.27Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 2.91Å; V41-N43 PolarHBondContact O-N 3.4Å; V41-A44 PolarHBondContact O-N 3.45Å; V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 PolarHBondContact O-N 2.92Å; V41-L86 HydrophobicContact CG2-CD1 3.96Å; V41-I119 HydrophobicContact CG1-CD1 3.89Å |
| 42 | K | 70.5 | Confident | 63.1 | Low | 88 Ų | 88 | 72.4 Ų | 72.4 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | -179.7 | -175.8 | -174.1 | 172.9 | -165.6 | 0 | 110.9 | S38 E39 Q40 A44 L45 F46 | S38-K42 WeakPolarHBondContact O-CB 3.48Å; S38-K42 PolarHBondContact O-N 2.88Å; S38-K42 VanDerWaalsContact O-N 3.16Å; E39-K42 WeakPolarHBondContact O-CB 3.37Å; E39-K42 PolarHBondContact O-N 3.14Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; K42-A44 VanDerWaalsContact C-N 3.3Å; K42-A44 PolarHBondContact O-N 3.12Å; K42-L45 PolarHBondContact O-N 3.22Å; K42-F46 HydrophobicContact CG-CD2 4.24Å; K42-F46 WeakPolarHBondContact O-CB 3.39Å; K42-F46 PolarHBondContact O-N 2.92Å |
| 43 | N | 74.5 | Confident | 63.1 | Low | 89 Ų | 89 | 76.7 Ų | 76.7 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.4 | -29.9 | -178.8 | -65.4 | -4.3 | 0 | 0 | 0 | 112.6 | E39 Q40 V41 F46 | E39-N43 VanDerWaalsContact O-CG 3.25Å; E39-N43 PolarHBondContact O-N 2.93Å; E39-N43 PolarHBondContact O-OD1 2.94Å; Q40-N43 PolarHBondContact O-N 2.98Å; V41-N43 PolarHBondContact O-N 3.4Å; N43-F46 VanDerWaalsContact O-O 3.14Å |
| 44 | A | 72.9 | Confident | 63.1 | Low | 29 Ų | 29 | 82 Ų | 82 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -81.7 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q40 V41 K42 T58 C84 L86 | Q40-A44 WeakPolarHBondContact O-CB 3.31Å; Q40-A44 PolarHBondContact O-N 2.89Å; V41-A44 PolarHBondContact O-N 3.45Å; K42-A44 VanDerWaalsContact C-N 3.3Å; K42-A44 PolarHBondContact O-N 3.12Å; A44-T58 PolarHBondContact O-OG1 3.42Å; A44-C84 WeakPolarHBondContact CB-SG 3.26Å; A44-L86 HydrophobicContact CB-CD2 3.68Å |
| 45 | L | 71.8 | Confident | 63.5 | Low | 10 Ų | 10 | 79.4 Ų | 79.4 | 5% | 0.052 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -80 | -35.9 | -177.3 | -167 | 70.1 | 0 | 0 | 0 | 112.2 | V41 K42 L57 T58 A82 C84 I117 | V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 PolarHBondContact O-N 2.92Å; K42-L45 PolarHBondContact O-N 3.22Å; L45-L57 HydrophobicContact CD1-CD2 4.25Å; L45-L57 HydrophobicContact CD2-CD2 4.25Å; L45-L57 HydrophobicContact CG-CD2 3.77Å; L45-L57 WeakPolarHBondContact O-CA 3.17Å; L45-T58 PolarHBondContact O-N 2.92Å; L45-T58 PolarHBondContact O-OG1 3.41Å; L45-A82 HydrophobicContact CD1-CB 3.62Å; L45-C84 HydrophobicContact CD1-CB 4.22Å; L45-I117 HydrophobicContact CD1-CG2 4.26Å; L45-I117 HydrophobicContact CD2-CD1 4.21Å |
| 46 | F | 73.8 | Confident | 64 | Low | 23 Ų | 23 | 78.8 Ų | 78.8 | 10% | 0.101 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137 | -177.3 | -60.5 | -74.8 | 0 | 0 | 0 | 111.7 | R22 K42 N43 E48 H55 I56 L57 | R22-F46 HydrophobicContact CG-CE2 4.48Å; R22-F46 HydrophobicContact CG-CZ 4.27Å; K42-F46 HydrophobicContact CG-CD2 4.24Å; K42-F46 WeakPolarHBondContact O-CB 3.39Å; K42-F46 PolarHBondContact O-N 2.92Å; N43-F46 VanDerWaalsContact O-O 3.14Å; F46-E48 PolarHBondContact O-N 2.8Å; F46-H55 HydrophobicContact CB-CB 4.07Å; F46-H55 HydrophobicContact CD1-CB 3.96Å; F46-H55 HydrophobicContact CG-CB 4.19Å; F46-I56 CarbonylContact C-O 3.55Å; F46-I56 VanDerWaalsContact CA-O 3.29Å; F46-I56 WeakPolarHBondContact CA-O 3.27Å; F46-L57 HydrophobicContact CD1-CD2 3.86Å; F46-L57 HydrophobicContact CD1-CG 4.47Å; F46-L57 HydrophobicContact CE1-CD2 3.46Å; F46-L57 VanDerWaalsContact CE1-CD2 3.46Å; F46-L57 HydrophobicContact CE1-CG 4.18Å; F46-L57 HydrophobicContact CZ-CD2 4.06Å |
| 47 | T | 68.1 | Low | 64.5 | Low | 43 Ų | 43 | 80.6 Ų | 80.6 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.4 | 170.3 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | N49 I56 T58 | T47-N49 PolarHBondContact O-N 2.71Å; T47-I56 PolarHBondContact N-O 3.5Å; T47-I56 PolarHBondContact OG1-O 2.9Å; T47-T58 HydrophobicContact CG2-CG2 4.05Å; T47-T58 PolarHBondContact N-OG1 2.82Å |
| 48 | E | 59.5 | Low | 64.9 | Low | 133 Ų | 133 | 80.5 Ų | 80.5 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | trans | -82 | 96.4 | 163.2 | -68.5 | -167.3 | 152.8 | 0 | 0 | 108.7 | F46 | F46-E48 PolarHBondContact O-N 2.8Š| ||
| 49 | N | 49.2 | Very low | 65.9 | Low | 99 Ų | 99 | 84.6 Ų | 84.6 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | trans | -91.2 | 109 | 165.3 | -98.1 | -15.6 | 0 | 0 | 0 | 108 | T47 G51 N52 | T47-N49 PolarHBondContact O-N 2.71Å; N49-G51 PolarHBondContact O-N 2.84Å; N49-N52 HydrophobicContact CB-CB 4.36Å; N49-N52 PolarHBondContact O-N 3.12Å; N49-N52 VanDerWaalsContact O-N 3.1Å | ||
| 50 | A | 54.1 | Low | 66.7 | Low | 119 Ų | 119 | 80.8 Ų | 80.8 | 98% | 0.983 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 51 | G | 53.9 | Low | 67.5 | Low | 77 Ų | 77 | 78.7 Ų | 78.7 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -11 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N49 | N49-G51 PolarHBondContact O-N 2.84Š|
| 52 | N | 51 | Low | 68.3 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | trans | -119.4 | 128.9 | -176.6 | -107.1 | -10.2 | 0 | 0 | 0 | 110.4 | N49 F54 | N49-N52 HydrophobicContact CB-CB 4.36Å; N49-N52 PolarHBondContact O-N 3.12Å; N49-N52 VanDerWaalsContact O-N 3.1Å; N52-F54 PolarHBondContact O-N 3.35Å | ||
| 53 | Q | 56.3 | Low | 69 | Low | 187 Ų | 187 | 78 Ų | 78 | 87% | 0.874 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -63.4 | -1.8 | 175 | -78.7 | 179.8 | -17.7 | 0 | 0 | 114.1 | ||
| 54 | F | 55.9 | Low | 69.5 | Low | 147 Ų | 147 | 78.3 Ų | 78.3 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | trans | -112.5 | 122.3 | -173.6 | -54.2 | -75.5 | 0 | 0 | 0 | 111.7 | N52 | N52-F54 PolarHBondContact O-N 3.35Š| ||
| 55 | H | 63 | Low | 69.7 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 32% | 0.324 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 123.2 | 171.3 | -69.7 | -74.6 | 0 | 0 | 0 | 110.6 | F46 | F46-H55 HydrophobicContact CB-CB 4.07Å; F46-H55 HydrophobicContact CD1-CB 3.96Å; F46-H55 HydrophobicContact CG-CB 4.19Å |
| 56 | I | 69.2 | Low | 69.9 | Low | 100 Ų | 100 | 84.1 Ų | 84.1 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.9 | 176.5 | -57 | 173.6 | 0 | 0 | 0 | 108.7 | F46 T47 T58 | F46-I56 CarbonylContact C-O 3.55Å; F46-I56 VanDerWaalsContact CA-O 3.29Å; F46-I56 WeakPolarHBondContact CA-O 3.27Å; T47-I56 PolarHBondContact N-O 3.5Å; T47-I56 PolarHBondContact OG1-O 2.9Å; I56-T58 PolarHBondContact O-N 3.22Å |
| 57 | L | 70.9 | Confident | 69.6 | Low | 47 Ų | 47 | 85.6 Ų | 85.6 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.9 | 174.4 | -69.4 | 169.3 | 0 | 0 | 0 | 110.5 | L45 F46 T60 I80 A82 | L45-L57 HydrophobicContact CD1-CD2 4.25Å; L45-L57 HydrophobicContact CD2-CD2 4.25Å; L45-L57 HydrophobicContact CG-CD2 3.77Å; L45-L57 WeakPolarHBondContact O-CA 3.17Å; F46-L57 HydrophobicContact CD1-CD2 3.86Å; F46-L57 HydrophobicContact CD1-CG 4.47Å; F46-L57 HydrophobicContact CE1-CD2 3.46Å; F46-L57 VanDerWaalsContact CE1-CD2 3.46Å; F46-L57 HydrophobicContact CE1-CG 4.18Å; F46-L57 HydrophobicContact CZ-CD2 4.06Å; L57-T60 HydrophobicContact CB-CG2 3.48Å; L57-T60 VanDerWaalsContact CB-CG2 3.48Å; L57-T60 HydrophobicContact CD1-CG2 3.85Å; L57-T60 HydrophobicContact CG-CG2 4.31Å; L57-I80 HydrophobicContact CD1-CD1 3.85Å; L57-A82 HydrophobicContact CD1-CB 4.33Å; L57-A82 HydrophobicContact CD2-CB 4.19Å |
| 58 | T | 71.6 | Confident | 69.8 | Low | 67 Ų | 67 | 89.4 Ų | 89.4 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -67.9 | -44.6 | -171.8 | -48.8 | 0 | 0 | 0 | 0 | 112.9 | A44 L45 T47 I56 | A44-T58 PolarHBondContact O-OG1 3.42Å; L45-T58 PolarHBondContact O-N 2.92Å; L45-T58 PolarHBondContact O-OG1 3.41Å; T47-T58 HydrophobicContact CG2-CG2 4.05Å; T47-T58 PolarHBondContact N-OG1 2.82Å; I56-T58 PolarHBondContact O-N 3.22Å |
| 59 | R | 85.4 | Confident | 70.1 | Confident | 130 Ų | 130 | 90.5 Ų | 90.5 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -137.8 | 116 | -178.2 | -63.7 | -175.5 | 72.3 | 170.9 | 4.4 | 110.3 | A82 I83 | R59-A82 WeakPolarHBondContact O-CA 3.32Å; R59-I83 HydrophobicContact CB-CB 4.17Å; R59-I83 PolarHBondContact O-N 3.46Å |
| 60 | T | 87.4 | Confident | 70.9 | Confident | 62 Ų | 62 | 89.3 Ų | 89.3 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152.4 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | L57 I80 C81 | L57-T60 HydrophobicContact CB-CG2 3.48Å; L57-T60 VanDerWaalsContact CB-CG2 3.48Å; L57-T60 HydrophobicContact CD1-CG2 3.85Å; L57-T60 HydrophobicContact CG-CG2 4.31Å; T60-I80 HydrophobicContact CG2-CD1 3.89Å; T60-I80 HydrophobicContact CG2-CG1 4.19Å; T60-C81 CarbonylContact C-O 3.26Å; T60-C81 VanDerWaalsContact CA-O 3.23Å; T60-C81 WeakPolarHBondContact CA-O 3.38Å |
| 61 | V | 89 | Confident | 71.6 | Confident | 30 Ų | 30 | 86.2 Ų | 86.2 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.8 | 171.7 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | C81 I83 A134 A138 | V61-C81 HydrophobicContact CB-CB 4.23Å; V61-C81 PolarHBondContact N-O 2.92Å; V61-C81 PolarHBondContact O-N 3.38Å; V61-C81 VanDerWaalsContact O-N 3.09Å; V61-I83 HydrophobicContact CG2-CD1 3.62Å; V61-I83 HydrophobicContact CG2-CG1 4.37Å; V61-A134 HydrophobicContact CG2-CB 4.26Å; V61-A138 HydrophobicContact CG1-CB 3.77Å |
| 62 | Q | 86.8 | Confident | 72.5 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 21% | 0.21 | 48% | 0.484 | C | S | . | . | trans | -136 | 153.1 | 179 | -68.4 | 177 | -47.4 | 0 | 0 | 108.7 | I80 M109 | Q62-I80 HydrophobicContact CG-CG1 4.12Å; Q62-M109 PolarHBondContact NE2-SD 3.19Å | ||
| 63 | S | 85.3 | Confident | 73.8 | Confident | 32 Ų | 32 | 88 Ų | 88 | 22% | 0.224 | 49% | 0.489 | C | S | . | . | trans | -82.6 | 150.6 | 170.2 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | D76 | S63-D76 PolarHBondContact O-N 3.43Š| ||
| 64 | I | 84.7 | Confident | 75 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.6 | 173.2 | -60.4 | 173.5 | 0 | 0 | 0 | 106.9 | H73 D74 F75 | I64-H73 HydrophobicContact CG2-CB 3.56Å; I64-D74 CarbonylContact C-O 3.56Å; I64-D74 WeakPolarHBondContact CA-O 3.32Å; I64-F75 HydrophobicContact CD1-CE1 4.46Å; I64-F75 HydrophobicContact CG1-CD1 4.17Å; I64-F75 HydrophobicContact CG1-CE1 4.16Å |
| 65 | C | 76 | Confident | 76.4 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 37% | 0.365 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137 | 175.4 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | D74 | C65-D74 PolarHBondContact N-O 3.43Å; C65-D74 PolarHBondContact O-N 3.31Å |
| 66 | T | 76 | Confident | 77.5 | Confident | 107 Ų | 107 | 76.9 Ų | 76.9 | 66% | 0.656 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.7 | 171.6 | 45.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 67 | T | 69.2 | Low | 78.5 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 145.8 | 174.8 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | I69 T72 D74 | T67-I69 PolarHBondContact O-N 2.91Å; T67-T72 PolarHBondContact N-O 2.96Å; T67-T72 PolarHBondContact OG1-O 3.38Å; T67-T72 PolarHBondContact OG1-OG1 2.89Å; T67-D74 HydrophobicContact CG2-CB 4.33Å |
| 68 | S | 71.1 | Confident | 79.4 | Confident | 124 Ų | 124 | 73.6 Ų | 73.6 | 87% | 0.867 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.8 | -174.9 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 69 | I | 66.7 | Low | 80.3 | Confident | 155 Ų | 155 | 70.5 Ų | 70.5 | 80% | 0.795 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -22.3 | -161.3 | -61.5 | 173.6 | 0 | 0 | 0 | 112.7 | T67 | T67-I69 PolarHBondContact O-N 2.91Š|
| 70 | A | 65.5 | Low | 80.5 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.4 | 12.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | T72 | A70-T72 HydrophobicContact CB-CG2 3.76Å; A70-T72 PolarHBondContact O-N 3.23Å; A70-T72 VanDerWaalsContact O-N 3.09Å |
| 71 | G | 69.1 | Low | 80.7 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 60.4 | 15.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 72 | T | 73.5 | Confident | 80.7 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | trans | -71.3 | 135.8 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | T67 A70 | T67-T72 PolarHBondContact N-O 2.96Å; T67-T72 PolarHBondContact OG1-O 3.38Å; T67-T72 PolarHBondContact OG1-OG1 2.89Å; A70-T72 HydrophobicContact CB-CG2 3.76Å; A70-T72 PolarHBondContact O-N 3.23Å; A70-T72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | H | 77.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 59 Ų | 59 | 63% | 0.634 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119 | 174.8 | -69 | -65.1 | 0 | 0 | 0 | 108.6 | I64 | I64-H73 HydrophobicContact CG2-CB 3.56Å |
| 74 | D | 81.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.3 | 172.3 | -162.9 | 9.9 | 0 | 0 | 0 | 110.1 | I64 C65 T67 | I64-D74 CarbonylContact C-O 3.56Å; I64-D74 WeakPolarHBondContact CA-O 3.32Å; C65-D74 PolarHBondContact N-O 3.43Å; C65-D74 PolarHBondContact O-N 3.31Å; T67-D74 HydrophobicContact CG2-CB 4.33Å |
| 75 | F | 84.2 | Confident | 80.9 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.1 | 178.6 | -66.3 | -76.8 | 0 | 0 | 0 | 110.6 | I64 Q77 T108 | I64-F75 HydrophobicContact CD1-CE1 4.46Å; I64-F75 HydrophobicContact CG1-CD1 4.17Å; I64-F75 HydrophobicContact CG1-CE1 4.16Å; F75-Q77 VanDerWaalsContact O-CG 3.23Å; F75-Q77 WeakPolarHBondContact O-CG 3.33Å; F75-Q77 PolarHBondContact O-N 2.89Å; F75-Q77 VanDerWaalsContact O-N 3.12Å; F75-T108 HydrophobicContact CD2-CG2 3.66Å; F75-T108 HydrophobicContact CE2-CG2 3.97Å; F75-T108 HydrophobicContact CG-CG2 4.39Å |
| 76 | D | 87.2 | Confident | 81.2 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | trans | -69.1 | 110.9 | 166.8 | -166.1 | -35.3 | 0 | 0 | 0 | 109.6 | S63 T78 R147 | S63-D76 PolarHBondContact O-N 3.43Å; D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact O-N 3.25Å; D76-T78 WeakPolarHBondContact OD1-CB 3.35Å; D76-T78 PolarHBondContact OD1-N 2.95Å; D76-T78 VanDerWaalsContact OD1-N 3.08Å; D76-T78 PolarHBondContact OD1-OG1 2.85Å; D76-R147 IonicContact OD1-CZ 3.21Å; D76-R147 IonicContact OD1-NH1 3.36Å; D76-R147 IonicContact OD1-NH2 2.74Å; D76-R147 PolarHBondContact OD1-NH2 3.29Å; D76-R147 IonicContact OD2-CZ 3.6Å; D76-R147 IonicContact OD2-NH1 3.43Å; D76-R147 PolarHBondContact OD2-NH1 3.47Å; D76-R147 IonicContact OD2-NH2 3.87Å; D76-R147 PolarHBondContact OD2-NH2 3.44Å | ||
| 77 | Q | 89.1 | Confident | 81.5 | Confident | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2 | -170.5 | -48 | -169 | 15.2 | 0 | 0 | 113.3 | F75 T108 M109 Q110 D111 L112 | F75-Q77 VanDerWaalsContact O-CG 3.23Å; F75-Q77 WeakPolarHBondContact O-CG 3.33Å; F75-Q77 PolarHBondContact O-N 2.89Å; F75-Q77 VanDerWaalsContact O-N 3.12Å; Q77-T108 WeakPolarHBondContact CG-O 3.25Å; Q77-M109 VanDerWaalsContact C-CE 3.4Å; Q77-M109 WeakPolarHBondContact O-CE 3.34Å; Q77-Q110 VanDerWaalsContact OE1-CB 3.25Å; Q77-Q110 VanDerWaalsContact OE1-CG 3.3Å; Q77-D111 CarbonylContact O-C 3.13Å; Q77-D111 VanDerWaalsContact O-C 3.26Å; Q77-L112 PolarHBondContact O-N 3.08Å |
| 78 | T | 90.1 | Very high | 81.9 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 22% | 0.221 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.6 | -168.9 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | D76 D111 R113 F114 R147 | D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact O-N 3.25Å; D76-T78 WeakPolarHBondContact OD1-CB 3.35Å; D76-T78 PolarHBondContact OD1-N 2.95Å; D76-T78 VanDerWaalsContact OD1-N 3.08Å; D76-T78 PolarHBondContact OD1-OG1 2.85Å; T78-D111 WeakPolarHBondContact CA-O 3.34Å; T78-R113 WeakPolarHBondContact O-CB 3.22Å; T78-R113 PolarHBondContact O-N 3.06Å; T78-F114 PolarHBondContact O-N 3.47Å; T78-R147 PolarHBondContact OG1-NE 3.22Å; T78-R147 PolarHBondContact OG1-NH1 3.48Å; T78-R147 PolarHBondContact OG1-NH2 2.6Å |
| 79 | W | 91.8 | Very high | 82.2 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 155.3 | -178.7 | 67.8 | -82.4 | 0 | 0 | 0 | 112.2 | C81 M109 F114 I116 A138 F141 | W79-C81 HydrophobicContact CE3-CB 4.31Å; W79-C81 HydrophobicContact CZ3-CB 3.72Å; W79-M109 VanDerWaalsContact C-CE 3.45Å; W79-M109 WeakPolarHBondContact O-CE 3.4Å; W79-F114 CarbonylContact C-O 3.56Å; W79-F114 VanDerWaalsContact CA-O 3.23Å; W79-F114 WeakPolarHBondContact CA-O 3.32Å; W79-F114 HydrophobicContact CB-CB 3.84Å; W79-I116 HydrophobicContact CE3-CD1 3.94Å; W79-I116 HydrophobicContact CZ3-CD1 4.45Å; W79-A138 VanDerWaalsContact CH2-CA 3.42Å; W79-A138 HydrophobicContact CH2-CB 3.4Å; W79-A138 HydrophobicContact CZ2-CB 4.32Å; W79-A138 HydrophobicContact CZ3-CB 3.95Å; W79-F141 HydrophobicContact CB-CD1 4.36Å; W79-F141 HydrophobicContact CD2-CB 3.72Å; W79-F141 HydrophobicContact CE3-CB 4.1Å; W79-F141 HydrophobicContact CG-CB 3.99Å; W79-F141 HydrophobicContact CG-CD1 4.45Å; W79-F141 HydrophobicContact CZ2-CB 4.35Å; W79-F141 PolarHBondContact NE1-O 3.42Å |
| 80 | I | 89.7 | Confident | 82.6 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.8 | 174.7 | -166.9 | 164.8 | 0 | 0 | 0 | 110.4 | L57 T60 Q62 M109 L112 F114 I115 I116 | L57-I80 HydrophobicContact CD1-CD1 3.85Å; T60-I80 HydrophobicContact CG2-CD1 3.89Å; T60-I80 HydrophobicContact CG2-CG1 4.19Å; Q62-I80 HydrophobicContact CG-CG1 4.12Å; I80-M109 HydrophobicContact CB-CE 4.12Å; I80-L112 HydrophobicContact CB-CD1 4.17Å; I80-L112 HydrophobicContact CG2-CD1 3.75Å; I80-L112 HydrophobicContact CG2-CD2 4.39Å; I80-F114 PolarHBondContact N-O 2.89Å; I80-I115 HydrophobicContact CG2-CB 4.46Å; I80-I115 HydrophobicContact CG2-CG1 4.1Å; I80-I115 HydrophobicContact CG2-CG2 4.37Å; I80-I116 PolarHBondContact O-N 3.39Å |
| 81 | C | 91 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.7 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | T60 V61 W79 I116 | T60-C81 CarbonylContact C-O 3.26Å; T60-C81 VanDerWaalsContact CA-O 3.23Å; T60-C81 WeakPolarHBondContact CA-O 3.38Å; V61-C81 HydrophobicContact CB-CB 4.23Å; V61-C81 PolarHBondContact N-O 2.92Å; V61-C81 PolarHBondContact O-N 3.38Å; V61-C81 VanDerWaalsContact O-N 3.09Å; W79-C81 HydrophobicContact CE3-CB 4.31Å; W79-C81 HydrophobicContact CZ3-CB 3.72Å; C81-I116 CarbonylContact C-O 3.53Å; C81-I116 VanDerWaalsContact CA-O 3.31Å; C81-I116 WeakPolarHBondContact CA-O 3.45Å; C81-I116 HydrophobicContact CB-CB 4.07Å; C81-I116 HydrophobicContact CB-CD1 4.47Å; C81-I116 HydrophobicContact CB-CG2 4.45Å |
| 82 | A | 88.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L45 L57 R59 I116 I117 V118 | L45-A82 HydrophobicContact CD1-CB 3.62Å; L57-A82 HydrophobicContact CD1-CB 4.33Å; L57-A82 HydrophobicContact CD2-CB 4.19Å; R59-A82 WeakPolarHBondContact O-CA 3.32Å; A82-I116 PolarHBondContact N-O 3.27Å; A82-I117 HydrophobicContact CB-CG1 4.34Å; A82-I117 WeakPolarHBondContact O-CA 3.38Å; A82-V118 PolarHBondContact O-N 3.42Å |
| 83 | I | 89.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128 | -178.8 | -55.3 | 173.1 | 0 | 0 | 0 | 108.7 | R59 V61 V85 A130 L131 A134 | R59-I83 HydrophobicContact CB-CB 4.17Å; R59-I83 PolarHBondContact O-N 3.46Å; V61-I83 HydrophobicContact CG2-CD1 3.62Å; V61-I83 HydrophobicContact CG2-CG1 4.37Å; I83-V85 HydrophobicContact CG2-CG2 4.42Å; I83-A130 HydrophobicContact CG2-CB 3.56Å; I83-L131 HydrophobicContact CD1-CB 4.24Å; I83-L131 HydrophobicContact CD1-CG 4.19Å; I83-A134 HydrophobicContact CD1-CB 3.57Å; I83-A134 HydrophobicContact CG1-CB 3.58Å |
| 84 | C | 85.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.9 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | A44 L45 V118 I119 A120 | A44-C84 WeakPolarHBondContact CB-SG 3.26Å; L45-C84 HydrophobicContact CD1-CB 4.22Å; C84-V118 PolarHBondContact N-O 3.39Å; C84-I119 HydrophobicContact CB-CD1 4.45Å; C84-I119 HydrophobicContact CB-CG1 4.09Å; C84-I119 WeakPolarHBondContact O-CA 3.18Å; C84-A120 PolarHBondContact O-N 2.95Å; C84-A120 VanDerWaalsContact O-N 3.11Å |
| 85 | V | 86.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 34.9 Ų | 34.9 | 32% | 0.321 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.1 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | I83 A120 A130 | I83-V85 HydrophobicContact CG2-CG2 4.42Å; V85-A120 WeakPolarHBondContact CA-O 3.1Å; V85-A130 HydrophobicContact CG2-CB 3.77Å |
| 86 | L | 82.5 | Confident | 84.6 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.5 | -179.5 | -65 | 174.3 | 0 | 0 | 0 | 109.1 | F36 Q40 V41 A44 T88 V89 I119 A120 P121 S122 | F36-L86 HydrophobicContact CE1-CD1 4.14Å; F36-L86 HydrophobicContact CZ-CD1 4.31Å; Q40-L86 HydrophobicContact CB-CD2 4.32Å; V41-L86 HydrophobicContact CG2-CD1 3.96Å; A44-L86 HydrophobicContact CB-CD2 3.68Å; L86-T88 VanDerWaalsContact C-N 3.3Å; L86-V89 HydrophobicContact CB-CG1 4.35Å; L86-V89 HydrophobicContact CB-CG2 3.98Å; L86-V89 WeakPolarHBondContact O-CG2 3.38Å; L86-I119 HydrophobicContact CD1-CG2 3.85Å; L86-I119 HydrophobicContact CG-CG2 4.24Å; L86-A120 PolarHBondContact N-O 3.36Å; L86-P121 VanDerWaalsContact O-CA 3.28Å; L86-P121 WeakPolarHBondContact O-CA 3.38Å; L86-S122 PolarHBondContact O-N 3.11Å |
| 87 | P | 81 | Confident | 84.5 | Confident | 100 Ų | 100 | 30.4 Ų | 30.4 | 65% | 0.649 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -77.2 | -18.3 | 176.5 | 30.5 | -33.6 | 0 | 0 | 0 | 113.1 | ||
| 88 | T | 78.3 | Confident | 84.4 | Confident | 45 Ų | 45 | 29.6 Ų | 29.6 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -77 | -33.4 | -176.9 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | Q40 L86 | Q40-T88 PolarHBondContact OE1-OG1 2.9Å; L86-T88 VanDerWaalsContact C-N 3.3Å |
| 89 | V | 76.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | trans | -72.8 | 134.6 | -177.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | F36 L86 I119 P121 | F36-V89 HydrophobicContact CD2-CG1 3.88Å; F36-V89 HydrophobicContact CE2-CG1 3.19Å; F36-V89 HydrophobicContact CZ-CG1 3.74Å; L86-V89 HydrophobicContact CB-CG1 4.35Å; L86-V89 HydrophobicContact CB-CG2 3.98Å; L86-V89 WeakPolarHBondContact O-CG2 3.38Å; V89-I119 HydrophobicContact CG1-CG2 4.28Å; V89-I119 HydrophobicContact CG2-CG2 4.31Å; V89-P121 HydrophobicContact CG2-CB 4.43Å; V89-P121 WeakPolarHBondContact O-CB 3.16Å | ||
| 90 | Q | 76.1 | Confident | 83.6 | Confident | 134 Ų | 134 | 30.5 Ų | 30.5 | 63% | 0.626 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -86.4 | -32.8 | 174 | -60.9 | -61.5 | -22.8 | 0 | 0 | 112 | ||
| 91 | H | 78.3 | Confident | 83.3 | Confident | 123 Ų | 123 | 33.6 Ų | 33.6 | 57% | 0.569 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -116.9 | 162.7 | -175.5 | -63.4 | -38.3 | 0 | 0 | 0 | 112.5 | E33 H93 | E33-H91 IonicContact OE1-CD2 3.64Å; H91-H93 VanDerWaalsContact C-ND1 3.35Å; H91-H93 PolarHBondContact O-CE1 3.37Å; H91-H93 PolarHBondContact O-ND1 3.48Å |
| 92 | R | 81.8 | Confident | 83 | Confident | 50 Ų | 50 | 36.6 Ų | 36.6 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | trans | -85.3 | 140.8 | 174 | -67.9 | 174.8 | -169.7 | -103.3 | -22.2 | 108.5 | P4 I119 A120 A124 K128 T129 T133 | P4-R92 HydrophobicContact CB-CB 4.37Å; P4-R92 WeakPolarHBondContact CB-O 3.13Å; P4-R92 HydrophobicContact CG-CB 4.28Å; R92-I119 CarbonylContact C-O 3.15Å; R92-I119 VanDerWaalsContact CA-O 3.3Å; R92-I119 WeakPolarHBondContact CA-O 3.49Å; R92-A120 HydrophobicContact CG-CB 3.92Å; R92-A124 VanDerWaalsContact NH2-CB 3.32Å; R92-K128 PolarHBondContact NH1-O 3.21Å; R92-K128 PolarHBondContact NH2-O 2.95Å; R92-T129 VanDerWaalsContact NH1-C 3.27Å; R92-T129 PolarHBondContact NH1-O 3.22Å; R92-T133 PolarHBondContact NH1-OG1 3.13Å | ||
| 93 | H | 80.8 | Confident | 82.7 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.5 | -177.1 | -62.1 | 76.3 | 0 | 0 | 0 | 107.6 | L6 M29 E33 H91 I119 | L6-H93 HydrophobicContact CD1-CB 4.2Å; L6-H93 WeakPolarHBondContact CD1-CD2 3.4Å; L6-H93 HydrophobicContact CD2-CB 4.32Å; M29-H93 HydrophobicContact CE-CB 4.37Å; E33-H93 VanDerWaalsContact CD-NE2 3.33Å; E33-H93 IonicContact OE1-CE1 3.83Å; E33-H93 PolarHBondContact OE1-CE1 3.16Å; E33-H93 IonicContact OE1-NE2 3.61Å; E33-H93 PolarHBondContact OE1-NE2 3.23Å; E33-H93 IonicContact OE2-CE1 3Å; E33-H93 PolarHBondContact OE2-CE1 3.01Å; E33-H93 IonicContact OE2-NE2 2.82Å; H91-H93 VanDerWaalsContact C-ND1 3.35Å; H91-H93 PolarHBondContact O-CE1 3.37Å; H91-H93 PolarHBondContact O-ND1 3.48Å; H93-I119 HydrophobicContact CB-CB 4.36Å; H93-I119 PolarHBondContact N-O 3.02Å; H93-I119 PolarHBondContact O-N 2.97Å |
| 94 | V | 84.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.7 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 109 | P4 L6 I96 I116 I117 V118 T133 F137 | P4-V94 HydrophobicContact CG-CG2 4.29Å; P4-V94 WeakPolarHBondContact O-CB 3.35Å; P4-V94 PolarHBondContact O-N 3.13Å; L6-V94 PolarHBondContact N-O 3.48Å; V94-I96 HydrophobicContact CG1-CG1 4.14Å; V94-I116 HydrophobicContact CG1-CG2 3.97Å; V94-I117 CarbonylContact C-O 3.56Å; V94-I117 VanDerWaalsContact CA-O 3.3Å; V94-I117 WeakPolarHBondContact CA-O 3.43Å; V94-V118 HydrophobicContact CG1-CG2 4.28Å; V94-V118 HydrophobicContact CG2-CB 4.49Å; V94-V118 HydrophobicContact CG2-CG1 4.27Å; V94-V118 HydrophobicContact CG2-CG2 4.04Å; V94-T133 HydrophobicContact CG2-CG2 4.15Å; V94-F137 HydrophobicContact CB-CE2 3.97Å; V94-F137 HydrophobicContact CB-CZ 3.93Å; V94-F137 HydrophobicContact CG1-CD1 4.35Å; V94-F137 HydrophobicContact CG1-CD2 4.09Å; V94-F137 HydrophobicContact CG1-CE1 4.03Å; V94-F137 HydrophobicContact CG1-CE2 3.79Å; V94-F137 HydrophobicContact CG1-CG 4.38Å; V94-F137 HydrophobicContact CG1-CZ 3.75Å; V94-F137 HydrophobicContact CG2-CD2 4.09Å; V94-F137 HydrophobicContact CG2-CE2 3.33Å; V94-F137 HydrophobicContact CG2-CZ 3.75Å |
| 95 | A | 81.5 | Confident | 82 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | M29 I116 I117 | M29-A95 HydrophobicContact CE-CB 4.36Å; M29-A95 HydrophobicContact CG-CB 4.32Å; M29-A95 HydrophobicContact SD-CB 3.82Å; A95-I116 CarbonylContact O-C 3.57Å; A95-I116 WeakPolarHBondContact O-CA 3.08Å; A95-I117 PolarHBondContact N-O 3.19Å; A95-I117 PolarHBondContact O-N 3.24Å |
| 96 | I | 87.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114.2 | 176.9 | -56.3 | 174.6 | 0 | 0 | 0 | 107.9 | A7 V8 L9 V94 I115 I116 F137 F141 F159 M163 | A7-I96 PolarHBondContact O-N 3.46Å; V8-I96 CarbonylContact C-O 3.59Å; V8-I96 VanDerWaalsContact CA-O 3.22Å; V8-I96 WeakPolarHBondContact CA-O 3.23Å; L9-I96 PolarHBondContact N-O 3.29Å; V94-I96 HydrophobicContact CG1-CG1 4.14Å; I96-I115 CarbonylContact C-O 3.46Å; I96-I115 WeakPolarHBondContact CA-O 3.45Å; I96-I116 HydrophobicContact CG1-CG1 4.36Å; I96-I116 HydrophobicContact CG1-CG2 4.28Å; I96-I116 HydrophobicContact CG2-CG1 4.32Å; I96-F137 HydrophobicContact CD1-CD1 4.25Å; I96-F137 HydrophobicContact CD1-CE1 4.25Å; I96-F141 HydrophobicContact CD1-CE2 4.19Å; I96-F141 HydrophobicContact CD1-CZ 4.32Å; I96-F141 HydrophobicContact CG2-CZ 4Å; I96-F159 HydrophobicContact CD1-CE1 4.2Å; I96-F159 HydrophobicContact CG2-CE1 4.21Å; I96-F159 HydrophobicContact CG2-CZ 3.84Å; I96-M163 HydrophobicContact CD1-CE 4.36Å |
| 97 | A | 84.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L9 I25 F114 I115 | L9-A97 HydrophobicContact CB-CB 4.48Å; I25-A97 HydrophobicContact CD1-CB 4.02Å; I25-A97 HydrophobicContact CG1-CB 4.47Å; A97-F114 WeakPolarHBondContact O-CA 3.28Å; A97-I115 HydrophobicContact CB-CB 4.3Å; A97-I115 PolarHBondContact N-O 2.97Å; A97-I115 PolarHBondContact O-N 3.45Å |
| 98 | R | 86.5 | Confident | 81.2 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.1 | 171.1 | -179.6 | 178 | 64.3 | 170.7 | 1 | 109 | L9 C11 F114 L150 V151 A153 | L9-R98 PolarHBondContact O-N 3.38Å; C11-R98 PolarHBondContact N-O 2.99Å; C11-R98 VanDerWaalsContact N-O 3.1Å; R98-F114 HydrophobicContact CB-CD1 4.07Å; R98-F114 HydrophobicContact CB-CE1 3.93Å; R98-F114 HydrophobicContact CG-CD1 4.15Å; R98-F114 HydrophobicContact CG-CE1 3.64Å; R98-F114 HydrophobicContact CG-CZ 4.45Å; R98-L150 WeakPolarHBondContact CD-O 3.49Å; R98-L150 PolarHBondContact NH1-O 2.84Å; R98-V151 PolarHBondContact NH1-O 3.47Å; R98-A153 VanDerWaalsContact CZ-O 3.23Å; R98-A153 PolarHBondContact NH1-O 2.67Å; R98-A153 PolarHBondContact NH2-O 3.48Å |
| 99 | L | 84.5 | Confident | 81.4 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137 | 178 | -55.9 | 177.7 | 0 | 0 | 0 | 109.9 | C11 L21 H101 L112 R113 I115 | C11-L99 HydrophobicContact CB-CD2 4.17Å; L21-L99 HydrophobicContact CD1-CD2 4.2Å; L21-L99 HydrophobicContact CD2-CD2 4.46Å; L99-H101 VanDerWaalsContact C-N 3.27Å; L99-H101 WeakPolarHBondContact CB-O 3.48Å; L99-H101 PolarHBondContact O-N 3.38Å; L99-L112 HydrophobicContact CD1-CB 4.4Å; L99-L112 HydrophobicContact CD1-CD2 4.04Å; L99-L112 HydrophobicContact CD1-CG 3.96Å; L99-L112 WeakPolarHBondContact CD1-O 3.19Å; L99-R113 PolarHBondContact N-O 3.09Å; L99-I115 HydrophobicContact CD1-CD1 4.29Å; L99-I115 HydrophobicContact CD2-CD1 4.38Å |
| 100 | T | 80.6 | Confident | 81.8 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -29.7 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | K10 C11 N12 P13 | K10-T100 HydrophobicContact CG-CG2 4.06Å; C11-T100 WeakPolarHBondContact O-CG2 3.36Å; C11-T100 PolarHBondContact O-N 2.96Å; C11-T100 PolarHBondContact O-OG1 3.47Å; N12-T100 WeakPolarHBondContact CA-OG1 3.37Å; N12-T100 PolarHBondContact OD1-OG1 3.04Å; P13-T100 WeakPolarHBondContact CD-OG1 3.24Å |
| 101 | H | 83.1 | Confident | 82.4 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 38% | 0.375 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.5 | -177.6 | -63.4 | -63.6 | 0 | 0 | 0 | 110.2 | P13 F14 L99 T103 | P13-H101 HydrophobicContact CG-CB 3.78Å; F14-H101 AromaticContact CD2-CD2 3.58Å; F14-H101 HydrophobicContact CE2-CB 4.1Å; F14-H101 AromaticContact CE2-CD2 3.46Å; F14-H101 VanDerWaalsContact CE2-CD2 3.46Å; F14-H101 WeakPolarHBondContact CE2-CD2 3.4Å; F14-H101 AromaticContact CE2-CG 3.75Å; L99-H101 VanDerWaalsContact C-N 3.27Å; L99-H101 WeakPolarHBondContact CB-O 3.48Å; L99-H101 PolarHBondContact O-N 3.38Å; H101-T103 PolarHBondContact O-N 3.02Å; H101-T103 PolarHBondContact O-OG1 3.31Å |
| 102 | P | 85.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 131.1 | 173.8 | 23.2 | -24.4 | 0 | 0 | 0 | 108.5 | D111 R113 | P102-D111 WeakPolarHBondContact CB-OD1 3.33Å; P102-R113 VanDerWaalsContact CB-NH2 3.31Å; P102-R113 VanDerWaalsContact CG-NH2 3.33Å; P102-R113 VanDerWaalsContact N-CZ 3.33Å |
| 103 | T | 81.5 | Confident | 83.2 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | P13 H101 L105 L112 | P13-T103 HydrophobicContact CB-CG2 4.4Å; P13-T103 VanDerWaalsContact CB-OG1 3.31Å; P13-T103 WeakPolarHBondContact CB-OG1 3.2Å; H101-T103 PolarHBondContact O-N 3.02Å; H101-T103 PolarHBondContact O-OG1 3.31Å; T103-L105 HydrophobicContact CG2-CD2 3.96Å; T103-L105 HydrophobicContact CG2-CG 4.46Å; T103-L105 PolarHBondContact O-N 3.21Å; T103-L112 PolarHBondContact N-O 3.36Å; T103-L112 WeakPolarHBondContact O-CB 3.34Å; T103-L112 PolarHBondContact O-N 3.47Å |
| 104 | N | 82.5 | Confident | 83.7 | Confident | 104 Ų | 104 | 49 Ų | 49 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | trans | -84.2 | 113.2 | 172.3 | -172.2 | -20.9 | 0 | 0 | 0 | 109.1 | G106 M109 Q110 | N104-G106 PolarHBondContact OD1-N 2.73Å; N104-G106 PolarHBondContact OD1-O 3.37Å; N104-G106 VanDerWaalsContact OD1-O 3.13Å; N104-M109 WeakPolarHBondContact CA-O 3.43Å; N104-Q110 WeakPolarHBondContact CA-O 3.35Å | ||
| 105 | L | 77.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | trans | -105.8 | 6.6 | 174.6 | -67.4 | -165.8 | 0 | 0 | 0 | 113.2 | T103 M109 L112 | T103-L105 HydrophobicContact CG2-CD2 3.96Å; T103-L105 HydrophobicContact CG2-CG 4.46Å; T103-L105 PolarHBondContact O-N 3.21Å; L105-M109 HydrophobicContact CB-CB 4.4Å; L105-M109 PolarHBondContact N-O 3.1Å; L105-L112 HydrophobicContact CB-CD2 4.46Å; L105-L112 HydrophobicContact CD1-CD2 3.22Å; L105-L112 HydrophobicContact CG-CD2 3.68Å | ||
| 106 | G | 78.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 32% | 0.32 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | 147.1 | -177.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N104 T108 M109 | N104-G106 PolarHBondContact OD1-N 2.73Å; N104-G106 PolarHBondContact OD1-O 3.37Å; N104-G106 VanDerWaalsContact OD1-O 3.13Å; G106-T108 VanDerWaalsContact C-N 3.26Å; G106-T108 PolarHBondContact O-N 3.32Å; G106-M109 CarbonylContact O-C 3.6Å; G106-M109 VanDerWaalsContact O-C 3.32Å; G106-M109 PolarHBondContact O-N 2.88Å |
| 107 | R | 77.5 | Confident | 84.2 | Confident | 233 Ų | 233 | 50.1 Ų | 50.1 | 88% | 0.879 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.9 | -173 | -67.1 | -172.3 | 178.6 | -168.1 | -0.1 | 113.8 | Q110 | R107-Q110 PolarHBondContact O-NE2 2.78Å; R107-Q110 VanDerWaalsContact O-NE2 3.07Å |
| 108 | T | 78.6 | Confident | 84.3 | Confident | 58 Ų | 58 | 50 Ų | 50 | 36% | 0.356 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.5 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | F75 Q77 G106 | F75-T108 HydrophobicContact CD2-CG2 3.66Å; F75-T108 HydrophobicContact CE2-CG2 3.97Å; F75-T108 HydrophobicContact CG-CG2 4.39Å; Q77-T108 WeakPolarHBondContact CG-O 3.25Å; G106-T108 VanDerWaalsContact C-N 3.26Å; G106-T108 PolarHBondContact O-N 3.32Å |
| 109 | M | 82.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -140.9 | 68 | -172.3 | -64.3 | -51.9 | -66.8 | 0 | 0 | 110.9 | Q62 Q77 W79 I80 N104 L105 G106 L112 | Q62-M109 PolarHBondContact NE2-SD 3.19Å; Q77-M109 VanDerWaalsContact C-CE 3.4Å; Q77-M109 WeakPolarHBondContact O-CE 3.34Å; W79-M109 VanDerWaalsContact C-CE 3.45Å; W79-M109 WeakPolarHBondContact O-CE 3.4Å; I80-M109 HydrophobicContact CB-CE 4.12Å; N104-M109 WeakPolarHBondContact CA-O 3.43Å; L105-M109 HydrophobicContact CB-CB 4.4Å; L105-M109 PolarHBondContact N-O 3.1Å; G106-M109 CarbonylContact O-C 3.6Å; G106-M109 VanDerWaalsContact O-C 3.32Å; G106-M109 PolarHBondContact O-N 2.88Å; M109-L112 HydrophobicContact CE-CB 4.31Å; M109-L112 HydrophobicContact CE-CD1 3.25Å; M109-L112 HydrophobicContact CE-CG 4.33Å |
| 110 | Q | 84.1 | Confident | 84.3 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84.6 | -25.7 | -175 | -53.3 | 176.1 | 14.1 | 0 | 0 | 112.7 | Q77 N104 R107 | Q77-Q110 VanDerWaalsContact OE1-CB 3.25Å; Q77-Q110 VanDerWaalsContact OE1-CG 3.3Å; N104-Q110 WeakPolarHBondContact CA-O 3.35Å; R107-Q110 PolarHBondContact O-NE2 2.78Å; R107-Q110 VanDerWaalsContact O-NE2 3.07Å |
| 111 | D | 88.5 | Confident | 84.5 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -125.6 | 51 | -178 | -166.2 | -24.2 | 0 | 0 | 0 | 110.9 | Q77 T78 P102 R113 | Q77-D111 CarbonylContact O-C 3.13Å; Q77-D111 VanDerWaalsContact O-C 3.26Å; T78-D111 WeakPolarHBondContact CA-O 3.34Å; P102-D111 WeakPolarHBondContact CB-OD1 3.33Å; D111-R113 PolarHBondContact O-N 2.92Å; D111-R113 IonicContact OD1-CZ 3.8Å; D111-R113 IonicContact OD1-NE 3.43Å; D111-R113 PolarHBondContact OD1-NE 3.3Å; D111-R113 IonicContact OD1-NH2 3.85Å; D111-R113 PolarHBondContact OD1-NH2 2.85Å; D111-R113 IonicContact OD2-NH2 2.69Å |
| 112 | L | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.2 | -179.1 | -177.7 | 70.9 | 0 | 0 | 0 | 110.7 | Q77 I80 L99 T103 L105 M109 F114 I115 | Q77-L112 PolarHBondContact O-N 3.08Å; I80-L112 HydrophobicContact CB-CD1 4.17Å; I80-L112 HydrophobicContact CG2-CD1 3.75Å; I80-L112 HydrophobicContact CG2-CD2 4.39Å; L99-L112 HydrophobicContact CD1-CB 4.4Å; L99-L112 HydrophobicContact CD1-CD2 4.04Å; L99-L112 HydrophobicContact CD1-CG 3.96Å; L99-L112 WeakPolarHBondContact CD1-O 3.19Å; T103-L112 PolarHBondContact N-O 3.36Å; T103-L112 WeakPolarHBondContact O-CB 3.34Å; T103-L112 PolarHBondContact O-N 3.47Å; L105-L112 HydrophobicContact CB-CD2 4.46Å; L105-L112 HydrophobicContact CD1-CD2 3.22Å; L105-L112 HydrophobicContact CG-CD2 3.68Å; M109-L112 HydrophobicContact CE-CB 4.31Å; M109-L112 HydrophobicContact CE-CD1 3.25Å; M109-L112 HydrophobicContact CE-CG 4.33Å; L112-F114 WeakPolarHBondContact CD1-O 3.19Å; L112-I115 HydrophobicContact CD1-CG1 4.37Å; L112-I115 HydrophobicContact CD2-CD1 3.87Å; L112-I115 HydrophobicContact CD2-CG1 3.64Å; L112-I115 HydrophobicContact CG-CG1 4.22Å |
| 113 | R | 89.2 | Confident | 83.7 | Confident | 67 Ų | 67 | 55.7 Ų | 55.7 | 25% | 0.253 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -33.3 | 176.2 | -59.4 | -60 | 179.5 | 149.5 | 5 | 113.4 | T78 L99 P102 D111 | T78-R113 WeakPolarHBondContact O-CB 3.22Å; T78-R113 PolarHBondContact O-N 3.06Å; L99-R113 PolarHBondContact N-O 3.09Å; P102-R113 VanDerWaalsContact CB-NH2 3.31Å; P102-R113 VanDerWaalsContact CG-NH2 3.33Å; P102-R113 VanDerWaalsContact N-CZ 3.33Å; D111-R113 PolarHBondContact O-N 2.92Å; D111-R113 IonicContact OD1-CZ 3.8Å; D111-R113 IonicContact OD1-NE 3.43Å; D111-R113 PolarHBondContact OD1-NE 3.3Å; D111-R113 IonicContact OD1-NH2 3.85Å; D111-R113 PolarHBondContact OD1-NH2 2.85Å; D111-R113 IonicContact OD2-NH2 2.69Å |
| 114 | F | 91 | Very high | 82.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.7 | -175.6 | -61.4 | -74.5 | 0 | 0 | 0 | 112.4 | T78 W79 I80 A97 R98 L112 F141 R147 L150 V151 F159 | T78-F114 PolarHBondContact O-N 3.47Å; W79-F114 CarbonylContact C-O 3.56Å; W79-F114 VanDerWaalsContact CA-O 3.23Å; W79-F114 WeakPolarHBondContact CA-O 3.32Å; W79-F114 HydrophobicContact CB-CB 3.84Å; I80-F114 PolarHBondContact N-O 2.89Å; A97-F114 WeakPolarHBondContact O-CA 3.28Å; R98-F114 HydrophobicContact CB-CD1 4.07Å; R98-F114 HydrophobicContact CB-CE1 3.93Å; R98-F114 HydrophobicContact CG-CD1 4.15Å; R98-F114 HydrophobicContact CG-CE1 3.64Å; R98-F114 HydrophobicContact CG-CZ 4.45Å; L112-F114 WeakPolarHBondContact CD1-O 3.19Å; F114-F141 HydrophobicContact CB-CD1 4.18Å; F114-F141 HydrophobicContact CB-CE1 3.79Å; F114-F141 AromaticContact CD1-CE1 3.83Å; F114-F141 HydrophobicContact CD1-CE1 3.83Å; F114-F141 HydrophobicContact CD2-CD1 4.07Å; F114-F141 AromaticContact CD2-CE1 3.82Å; F114-F141 HydrophobicContact CD2-CE1 3.82Å; F114-F141 HydrophobicContact CE1-CE1 4.31Å; F114-F141 HydrophobicContact CE2-CE1 4.29Å; F114-F141 HydrophobicContact CG-CD1 4.13Å; F114-F141 AromaticContact CG-CE1 3.55Å; F114-F141 HydrophobicContact CG-CE1 3.55Å; F114-R147 HydrophobicContact CE2-CB 4.29Å; F114-R147 HydrophobicContact CE2-CG 4.46Å; F114-L150 HydrophobicContact CE1-CB 4.22Å; F114-L150 HydrophobicContact CZ-CB 3.82Å; F114-V151 HydrophobicContact CE2-CG2 3.52Å; F114-V151 HydrophobicContact CZ-CB 4.33Å; F114-V151 HydrophobicContact CZ-CG2 3.41Å; F114-V151 VanDerWaalsContact CZ-CG2 3.41Å; F114-F159 AromaticContact CE1-CE2 3.96Å; F114-F159 HydrophobicContact CE1-CE2 3.96Å; F114-F159 HydrophobicContact CE1-CZ 4.46Å |
| 115 | I | 87.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120 | 171.2 | -61.6 | 166 | 0 | 0 | 0 | 107.6 | L21 I80 I96 A97 L99 L112 I117 | L21-I115 HydrophobicContact CD2-CD1 3.96Å; I80-I115 HydrophobicContact CG2-CB 4.46Å; I80-I115 HydrophobicContact CG2-CG1 4.1Å; I80-I115 HydrophobicContact CG2-CG2 4.37Å; I96-I115 CarbonylContact C-O 3.46Å; I96-I115 WeakPolarHBondContact CA-O 3.45Å; A97-I115 HydrophobicContact CB-CB 4.3Å; A97-I115 PolarHBondContact N-O 2.97Å; A97-I115 PolarHBondContact O-N 3.45Å; L99-I115 HydrophobicContact CD1-CD1 4.29Å; L99-I115 HydrophobicContact CD2-CD1 4.38Å; L112-I115 HydrophobicContact CD1-CG1 4.37Å; L112-I115 HydrophobicContact CD2-CD1 3.87Å; L112-I115 HydrophobicContact CD2-CG1 3.64Å; L112-I115 HydrophobicContact CG-CG1 4.22Å; I115-I117 HydrophobicContact CG2-CD1 4.22Å; I115-I117 HydrophobicContact CG2-CG1 4.16Å |
| 116 | I | 89.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 178.1 | -53.8 | 162.7 | 0 | 0 | 0 | 106.9 | W79 I80 C81 A82 V94 A95 I96 V118 F137 F141 | W79-I116 HydrophobicContact CE3-CD1 3.94Å; W79-I116 HydrophobicContact CZ3-CD1 4.45Å; I80-I116 PolarHBondContact O-N 3.39Å; C81-I116 CarbonylContact C-O 3.53Å; C81-I116 VanDerWaalsContact CA-O 3.31Å; C81-I116 WeakPolarHBondContact CA-O 3.45Å; C81-I116 HydrophobicContact CB-CB 4.07Å; C81-I116 HydrophobicContact CB-CD1 4.47Å; C81-I116 HydrophobicContact CB-CG2 4.45Å; A82-I116 PolarHBondContact N-O 3.27Å; V94-I116 HydrophobicContact CG1-CG2 3.97Å; A95-I116 CarbonylContact O-C 3.57Å; A95-I116 WeakPolarHBondContact O-CA 3.08Å; I96-I116 HydrophobicContact CG1-CG1 4.36Å; I96-I116 HydrophobicContact CG1-CG2 4.28Å; I96-I116 HydrophobicContact CG2-CG1 4.32Å; I116-V118 HydrophobicContact CG2-CG2 4.28Å; I116-F137 HydrophobicContact CD1-CB 4.44Å; I116-F137 HydrophobicContact CG2-CB 4.23Å; I116-F137 HydrophobicContact CG2-CG 4.46Å; I116-F141 HydrophobicContact CD1-CB 4.28Å; I116-F141 HydrophobicContact CD1-CD1 4.08Å; I116-F141 HydrophobicContact CD1-CD2 3.36Å; I116-F141 HydrophobicContact CD1-CE1 4.26Å; I116-F141 HydrophobicContact CD1-CE2 3.55Å; I116-F141 HydrophobicContact CD1-CG 3.64Å; I116-F141 HydrophobicContact CD1-CZ 4.01Å; I116-F141 HydrophobicContact CG1-CD2 4.46Å; I116-F141 HydrophobicContact CG1-CE2 4.21Å; I116-F141 HydrophobicContact CG1-CZ 4.34Å |
| 117 | I | 86.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.6 | 176.5 | -66.1 | 160.2 | 0 | 0 | 0 | 107.5 | I25 L45 A82 V94 A95 I115 I119 | I25-I117 HydrophobicContact CD1-CD1 4.4Å; I25-I117 HydrophobicContact CG2-CD1 3.77Å; L45-I117 HydrophobicContact CD1-CG2 4.26Å; L45-I117 HydrophobicContact CD2-CD1 4.21Å; A82-I117 HydrophobicContact CB-CG1 4.34Å; A82-I117 WeakPolarHBondContact O-CA 3.38Å; V94-I117 CarbonylContact C-O 3.56Å; V94-I117 VanDerWaalsContact CA-O 3.3Å; V94-I117 WeakPolarHBondContact CA-O 3.43Å; A95-I117 PolarHBondContact N-O 3.19Å; A95-I117 PolarHBondContact O-N 3.24Å; I115-I117 HydrophobicContact CG2-CD1 4.22Å; I115-I117 HydrophobicContact CG2-CG1 4.16Å; I117-I119 HydrophobicContact CG2-CD1 4.18Å; I117-I119 HydrophobicContact CG2-CG1 3.9Å |
| 118 | V | 87.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.5 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | A82 C84 V94 I116 T133 A134 F137 | A82-V118 PolarHBondContact O-N 3.42Å; C84-V118 PolarHBondContact N-O 3.39Å; V94-V118 HydrophobicContact CG1-CG2 4.28Å; V94-V118 HydrophobicContact CG2-CB 4.49Å; V94-V118 HydrophobicContact CG2-CG1 4.27Å; V94-V118 HydrophobicContact CG2-CG2 4.04Å; I116-V118 HydrophobicContact CG2-CG2 4.28Å; V118-T133 HydrophobicContact CG1-CG2 3.68Å; V118-A134 HydrophobicContact CG2-CB 4.17Å; V118-F137 HydrophobicContact CG2-CD2 4.38Å |
| 119 | I | 84 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.3 | 175.7 | -48 | -162 | 0 | 0 | 0 | 109.2 | M29 F36 V41 C84 L86 V89 R92 H93 I117 | M29-I119 HydrophobicContact CE-CD1 3.25Å; M29-I119 HydrophobicContact CE-CG1 3.79Å; M29-I119 HydrophobicContact SD-CD1 4.22Å; F36-I119 HydrophobicContact CE1-CD1 3.58Å; F36-I119 HydrophobicContact CZ-CB 4.28Å; F36-I119 HydrophobicContact CZ-CD1 3.63Å; F36-I119 HydrophobicContact CZ-CG1 4.5Å; F36-I119 HydrophobicContact CZ-CG2 3.79Å; V41-I119 HydrophobicContact CG1-CD1 3.89Å; C84-I119 HydrophobicContact CB-CD1 4.45Å; C84-I119 HydrophobicContact CB-CG1 4.09Å; C84-I119 WeakPolarHBondContact O-CA 3.18Å; L86-I119 HydrophobicContact CD1-CG2 3.85Å; L86-I119 HydrophobicContact CG-CG2 4.24Å; V89-I119 HydrophobicContact CG1-CG2 4.28Å; V89-I119 HydrophobicContact CG2-CG2 4.31Å; R92-I119 CarbonylContact C-O 3.15Å; R92-I119 VanDerWaalsContact CA-O 3.3Å; R92-I119 WeakPolarHBondContact CA-O 3.49Å; H93-I119 HydrophobicContact CB-CB 4.36Å; H93-I119 PolarHBondContact N-O 3.02Å; H93-I119 PolarHBondContact O-N 2.97Å; I117-I119 HydrophobicContact CG2-CD1 4.18Å; I117-I119 HydrophobicContact CG2-CG1 3.9Å |
| 120 | A | 86 | Confident | 82 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C84 V85 L86 R92 A130 | C84-A120 PolarHBondContact O-N 2.95Å; C84-A120 VanDerWaalsContact O-N 3.11Å; V85-A120 WeakPolarHBondContact CA-O 3.1Å; L86-A120 PolarHBondContact N-O 3.36Å; R92-A120 HydrophobicContact CG-CB 3.92Å; A120-A130 HydrophobicContact CB-CB 3.62Å |
| 121 | P | 85.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 145.3 | 173.9 | 20.9 | -31 | 0 | 0 | 0 | 112 | L86 V89 R123 | L86-P121 VanDerWaalsContact O-CA 3.28Å; L86-P121 WeakPolarHBondContact O-CA 3.38Å; V89-P121 HydrophobicContact CG2-CB 4.43Å; V89-P121 WeakPolarHBondContact O-CB 3.16Å; P121-R123 VanDerWaalsContact C-N 3.32Å |
| 122 | S | 78.8 | Confident | 82.2 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -65.2 | -35.4 | 169.7 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | L86 A124 | L86-S122 PolarHBondContact O-N 3.11Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.29Å |
| 123 | R | 72.2 | Confident | 82.1 | Confident | 244 Ų | 244 | 55.5 Ų | 55.5 | 92% | 0.921 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -84.6 | 57.4 | -175.4 | -64.2 | -176.3 | -179.9 | -179.9 | 1 | 113.5 | P121 | P121-R123 VanDerWaalsContact C-N 3.32Š|
| 124 | A | 65.8 | Low | 82.2 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | trans | -106.1 | 148.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R92 S122 K128 | R92-A124 VanDerWaalsContact NH2-CB 3.32Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.29Å; A124-K128 WeakPolarHBondContact CB-O 3.16Å | ||
| 125 | K | 66.9 | Low | 82.2 | Confident | 165 Ų | 165 | 58.1 Ų | 58.1 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | trans | -53.7 | 142.5 | 168.7 | -65.5 | -175.1 | 179.8 | -173.8 | 0 | 109.3 | T127 K128 | K125-T127 PolarHBondContact O-N 2.83Å; K125-K128 CarbonylContact O-C 3.55Å; K125-K128 PolarHBondContact O-N 2.67Å | ||
| 126 | G | 68.7 | Low | 82.3 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | T129 | G126-T129 WeakPolarHBondContact O-CG2 3.18Š|
| 127 | T | 72.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 73% | 0.73 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -9.9 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | K125 | K125-T127 PolarHBondContact O-N 2.83Š|
| 128 | K | 77.9 | Confident | 82.6 | Confident | 134 Ų | 134 | 60.3 Ų | 60.3 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -111.8 | 59 | 177.6 | -63.4 | -174.3 | -179.9 | -175.2 | 0 | 108.4 | R92 A124 K125 | R92-K128 PolarHBondContact NH1-O 3.21Å; R92-K128 PolarHBondContact NH2-O 2.95Å; A124-K128 WeakPolarHBondContact CB-O 3.16Å; K125-K128 CarbonylContact O-C 3.55Å; K125-K128 PolarHBondContact O-N 2.67Å |
| 129 | T | 85.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | trans | -80.2 | 160.7 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | R92 G126 L131 E132 T133 | R92-T129 VanDerWaalsContact NH1-C 3.27Å; R92-T129 PolarHBondContact NH1-O 3.22Å; G126-T129 WeakPolarHBondContact O-CG2 3.18Å; T129-L131 PolarHBondContact O-N 3.24Å; T129-L131 WeakPolarHBondContact OG1-CB 3.25Å; T129-L131 PolarHBondContact OG1-N 3.41Å; T129-E132 PolarHBondContact O-N 3.13Å; T129-E132 WeakPolarHBondContact OG1-CG 3.43Å; T129-E132 PolarHBondContact OG1-N 2.93Å; T129-T133 PolarHBondContact O-N 3.47Å | ||
| 130 | A | 86.2 | Confident | 83.1 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.4 | -33.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I83 V85 A120 T133 A134 | I83-A130 HydrophobicContact CG2-CB 3.56Å; V85-A130 HydrophobicContact CG2-CB 3.77Å; A120-A130 HydrophobicContact CB-CB 3.62Å; A130-T133 WeakPolarHBondContact O-CB 3.43Å; A130-T133 PolarHBondContact O-N 2.92Å; A130-A134 PolarHBondContact O-N 3.21Å |
| 131 | L | 88.6 | Confident | 83.4 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.4 | -166.2 | 156.5 | 0 | 0 | 0 | 112.2 | I83 T129 T133 A134 R135 | I83-L131 HydrophobicContact CD1-CB 4.24Å; I83-L131 HydrophobicContact CD1-CG 4.19Å; T129-L131 PolarHBondContact O-N 3.24Å; T129-L131 WeakPolarHBondContact OG1-CB 3.25Å; T129-L131 PolarHBondContact OG1-N 3.41Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 2.85Å; L131-A134 CarbonylContact O-C 3.56Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 2.93Å; L131-R135 HydrophobicContact CD2-CG 3.94Å; L131-R135 VanDerWaalsContact CD2-NH1 3.31Å; L131-R135 VanDerWaalsContact CD2-NH2 3.29Å; L131-R135 WeakPolarHBondContact O-CG 3.45Å; L131-R135 PolarHBondContact O-N 2.9Å |
| 132 | E | 87.7 | Confident | 83.6 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 174.5 | -62.7 | -36 | 130.9 | 0 | 0 | 112.2 | T129 R135 T136 | T129-E132 PolarHBondContact O-N 3.13Å; T129-E132 WeakPolarHBondContact OG1-CG 3.43Å; T129-E132 PolarHBondContact OG1-N 2.93Å; E132-R135 PolarHBondContact O-N 2.92Å; E132-R135 IonicContact OE1-CZ 3.78Å; E132-R135 IonicContact OE1-NH1 2.58Å; E132-R135 PolarHBondContact OE1-NH1 3.23Å; E132-R135 IonicContact OE2-NH1 3.24Å; E132-R135 PolarHBondContact OE2-NH1 3.16Å; E132-T136 PolarHBondContact O-N 3.13Å; E132-T136 PolarHBondContact O-OG1 2.96Å |
| 133 | T | 87.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 172.9 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | R92 V94 V118 T129 A130 L131 R135 T136 F137 | R92-T133 PolarHBondContact NH1-OG1 3.13Å; V94-T133 HydrophobicContact CG2-CG2 4.15Å; V118-T133 HydrophobicContact CG1-CG2 3.68Å; T129-T133 PolarHBondContact O-N 3.47Å; A130-T133 WeakPolarHBondContact O-CB 3.43Å; A130-T133 PolarHBondContact O-N 2.92Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 2.85Å; T133-R135 PolarHBondContact O-N 3.39Å; T133-T136 WeakPolarHBondContact O-CB 3.2Å; T133-T136 PolarHBondContact O-N 3.38Å; T133-T136 VanDerWaalsContact O-N 3.16Å; T133-F137 HydrophobicContact CG2-CD2 4.31Å; T133-F137 HydrophobicContact CG2-CE2 3.97Å; T133-F137 VanDerWaalsContact O-CD2 3.28Å; T133-F137 WeakPolarHBondContact O-CD2 3.48Å; T133-F137 PolarHBondContact O-N 3.42Å |
| 134 | A | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V61 I83 V118 A130 L131 T136 F137 A138 | V61-A134 HydrophobicContact CG2-CB 4.26Å; I83-A134 HydrophobicContact CD1-CB 3.57Å; I83-A134 HydrophobicContact CG1-CB 3.58Å; V118-A134 HydrophobicContact CG2-CB 4.17Å; A130-A134 PolarHBondContact O-N 3.21Å; L131-A134 CarbonylContact O-C 3.56Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 2.93Å; A134-T136 PolarHBondContact O-N 2.96Å; A134-F137 PolarHBondContact O-N 2.87Å; A134-A138 VanDerWaalsContact O-CB 3.25Å; A134-A138 WeakPolarHBondContact O-CB 3.45Å; A134-A138 PolarHBondContact O-N 3.29Å |
| 135 | R | 90.3 | Very high | 86.2 | Confident | 125 Ų | 125 | 58.7 Ų | 58.7 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -35.5 | 174 | -79.1 | -173.9 | -175.1 | 135.5 | 1.1 | 112.5 | L131 E132 T133 A138 T139 | L131-R135 HydrophobicContact CD2-CG 3.94Å; L131-R135 VanDerWaalsContact CD2-NH1 3.31Å; L131-R135 VanDerWaalsContact CD2-NH2 3.29Å; L131-R135 WeakPolarHBondContact O-CG 3.45Å; L131-R135 PolarHBondContact O-N 2.9Å; E132-R135 PolarHBondContact O-N 2.92Å; E132-R135 IonicContact OE1-CZ 3.78Å; E132-R135 IonicContact OE1-NH1 2.58Å; E132-R135 PolarHBondContact OE1-NH1 3.23Å; E132-R135 IonicContact OE2-NH1 3.24Å; E132-R135 PolarHBondContact OE2-NH1 3.16Å; T133-R135 PolarHBondContact O-N 3.39Å; R135-A138 PolarHBondContact O-N 3.12Å; R135-T139 WeakPolarHBondContact O-CB 3.23Å; R135-T139 PolarHBondContact O-N 2.89Å; R135-T139 PolarHBondContact O-OG1 3Å |
| 136 | T | 89.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111 | E132 T133 A134 T139 L140 | E132-T136 PolarHBondContact O-N 3.13Å; E132-T136 PolarHBondContact O-OG1 2.96Å; T133-T136 WeakPolarHBondContact O-CB 3.2Å; T133-T136 PolarHBondContact O-N 3.38Å; T133-T136 VanDerWaalsContact O-N 3.16Å; A134-T136 PolarHBondContact O-N 2.96Å; T136-T139 PolarHBondContact O-N 3.14Å; T136-L140 PolarHBondContact O-N 3.04Å |
| 137 | F | 90.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 175.7 | -71 | -80.4 | 0 | 0 | 0 | 112 | F3 I5 V94 I96 I116 V118 T133 A134 T139 L140 F141 M163 | F3-F137 HydrophobicContact CD1-CE1 4.24Å; F3-F137 HydrophobicContact CD1-CZ 4.04Å; F3-F137 HydrophobicContact CE1-CE1 4.11Å; F3-F137 HydrophobicContact CE1-CZ 4.12Å; I5-F137 HydrophobicContact CD1-CE1 4.37Å; I5-F137 HydrophobicContact CG1-CE1 4.19Å; I5-F137 HydrophobicContact CG1-CZ 4.26Å; V94-F137 HydrophobicContact CB-CE2 3.97Å; V94-F137 HydrophobicContact CB-CZ 3.93Å; V94-F137 HydrophobicContact CG1-CD1 4.35Å; V94-F137 HydrophobicContact CG1-CD2 4.09Å; V94-F137 HydrophobicContact CG1-CE1 4.03Å; V94-F137 HydrophobicContact CG1-CE2 3.79Å; V94-F137 HydrophobicContact CG1-CG 4.38Å; V94-F137 HydrophobicContact CG1-CZ 3.75Å; V94-F137 HydrophobicContact CG2-CD2 4.09Å; V94-F137 HydrophobicContact CG2-CE2 3.33Å; V94-F137 HydrophobicContact CG2-CZ 3.75Å; I96-F137 HydrophobicContact CD1-CD1 4.25Å; I96-F137 HydrophobicContact CD1-CE1 4.25Å; I116-F137 HydrophobicContact CD1-CB 4.44Å; I116-F137 HydrophobicContact CG2-CB 4.23Å; I116-F137 HydrophobicContact CG2-CG 4.46Å; V118-F137 HydrophobicContact CG2-CD2 4.38Å; T133-F137 HydrophobicContact CG2-CD2 4.31Å; T133-F137 HydrophobicContact CG2-CE2 3.97Å; T133-F137 VanDerWaalsContact O-CD2 3.28Å; T133-F137 WeakPolarHBondContact O-CD2 3.48Å; T133-F137 PolarHBondContact O-N 3.42Å; A134-F137 PolarHBondContact O-N 2.87Å; F137-T139 PolarHBondContact O-N 2.91Å; F137-L140 WeakPolarHBondContact O-CB 3.41Å; F137-L140 PolarHBondContact O-N 3.13Å; F137-L140 VanDerWaalsContact O-N 3.08Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 PolarHBondContact O-N 2.84Å; F137-M163 HydrophobicContact CD1-CE 3.84Å; F137-M163 HydrophobicContact CE1-CE 4.06Å |
| 138 | A | 91.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V61 W79 A134 R135 F141 A142 | V61-A138 HydrophobicContact CG1-CB 3.77Å; W79-A138 VanDerWaalsContact CH2-CA 3.42Å; W79-A138 HydrophobicContact CH2-CB 3.4Å; W79-A138 HydrophobicContact CZ2-CB 4.32Å; W79-A138 HydrophobicContact CZ3-CB 3.95Å; A134-A138 VanDerWaalsContact O-CB 3.25Å; A134-A138 WeakPolarHBondContact O-CB 3.45Å; A134-A138 PolarHBondContact O-N 3.29Å; R135-A138 PolarHBondContact O-N 3.12Å; A138-F141 PolarHBondContact O-N 2.87Å; A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.43Å; A138-A142 PolarHBondContact O-N 3.45Å |
| 139 | T | 90.6 | Very high | 90 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 177.7 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | R135 T136 F137 A142 L170 | R135-T139 WeakPolarHBondContact O-CB 3.23Å; R135-T139 PolarHBondContact O-N 2.89Å; R135-T139 PolarHBondContact O-OG1 3Å; T136-T139 PolarHBondContact O-N 3.14Å; F137-T139 PolarHBondContact O-N 2.91Å; T139-A142 PolarHBondContact O-N 3.37Å; T139-L170 HydrophobicContact CG2-CD2 3.7Å |
| 140 | L | 91.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 175 | -72 | 167.4 | 0 | 0 | 0 | 112.6 | T136 F137 I146 M163 A166 A167 L170 | T136-L140 PolarHBondContact O-N 3.04Å; F137-L140 WeakPolarHBondContact O-CB 3.41Å; F137-L140 PolarHBondContact O-N 3.13Å; F137-L140 VanDerWaalsContact O-N 3.08Å; L140-I146 HydrophobicContact CD2-CD1 4.41Å; L140-M163 HydrophobicContact CB-CE 4.28Å; L140-M163 HydrophobicContact CD1-CE 3.6Å; L140-A166 HydrophobicContact CD2-CB 4.25Å; L140-A167 HydrophobicContact CD1-CB 4.09Å; L140-A167 HydrophobicContact CD2-CB 4.12Å; L140-L170 HydrophobicContact CD2-CD2 4.21Å |
| 141 | F | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82.8 | -13.5 | 179.2 | -81.2 | -97 | 0 | 0 | 0 | 113.2 | W79 I96 F114 I116 F137 A138 D143 R147 L150 F159 M163 | W79-F141 HydrophobicContact CB-CD1 4.36Å; W79-F141 HydrophobicContact CD2-CB 3.72Å; W79-F141 HydrophobicContact CE3-CB 4.1Å; W79-F141 HydrophobicContact CG-CB 3.99Å; W79-F141 HydrophobicContact CG-CD1 4.45Å; W79-F141 HydrophobicContact CZ2-CB 4.35Å; W79-F141 PolarHBondContact NE1-O 3.42Å; I96-F141 HydrophobicContact CD1-CE2 4.19Å; I96-F141 HydrophobicContact CD1-CZ 4.32Å; I96-F141 HydrophobicContact CG2-CZ 4Å; F114-F141 HydrophobicContact CB-CD1 4.18Å; F114-F141 HydrophobicContact CB-CE1 3.79Å; F114-F141 AromaticContact CD1-CE1 3.83Å; F114-F141 HydrophobicContact CD1-CE1 3.83Å; F114-F141 HydrophobicContact CD2-CD1 4.07Å; F114-F141 AromaticContact CD2-CE1 3.82Å; F114-F141 HydrophobicContact CD2-CE1 3.82Å; F114-F141 HydrophobicContact CE1-CE1 4.31Å; F114-F141 HydrophobicContact CE2-CE1 4.29Å; F114-F141 HydrophobicContact CG-CD1 4.13Å; F114-F141 AromaticContact CG-CE1 3.55Å; F114-F141 HydrophobicContact CG-CE1 3.55Å; I116-F141 HydrophobicContact CD1-CB 4.28Å; I116-F141 HydrophobicContact CD1-CD1 4.08Å; I116-F141 HydrophobicContact CD1-CD2 3.36Å; I116-F141 HydrophobicContact CD1-CE1 4.26Å; I116-F141 HydrophobicContact CD1-CE2 3.55Å; I116-F141 HydrophobicContact CD1-CG 3.64Å; I116-F141 HydrophobicContact CD1-CZ 4.01Å; I116-F141 HydrophobicContact CG1-CD2 4.46Å; I116-F141 HydrophobicContact CG1-CE2 4.21Å; I116-F141 HydrophobicContact CG1-CZ 4.34Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 PolarHBondContact O-N 2.84Å; A138-F141 PolarHBondContact O-N 2.87Å; F141-D143 PolarHBondContact O-N 3.01Å; F141-R147 HydrophobicContact CD1-CG 4.04Å; F141-R147 WeakPolarHBondContact O-CD 3.47Å; F141-R147 WeakPolarHBondContact O-CG 3.43Å; F141-R147 PolarHBondContact O-NH1 3.47Å; F141-L150 HydrophobicContact CE1-CD1 3.87Å; F141-L150 HydrophobicContact CE2-CD1 4.4Å; F141-L150 HydrophobicContact CZ-CD1 3.77Å; F141-F159 HydrophobicContact CZ-CZ 4.27Å; F141-M163 HydrophobicContact CD2-CE 4.49Å; F141-M163 HydrophobicContact CE2-CE 3.79Å; F141-M163 HydrophobicContact CE2-SD 3.99Å; F141-M163 HydrophobicContact CZ-SD 4.37Å |
| 142 | A | 90.4 | Very high | 90.5 | Very high | 44 Ų | 44 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.1 | -25.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A138 T139 | A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.43Å; A138-A142 PolarHBondContact O-N 3.45Å; T139-A142 PolarHBondContact O-N 3.37Å |
| 143 | D | 89.6 | Confident | 90.5 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | trans | -76.6 | 121.3 | 175.1 | -172.1 | -33.8 | 0 | 0 | 0 | 111.1 | F141 D145 I146 R147 | F141-D143 PolarHBondContact O-N 3.01Å; D143-D145 WeakPolarHBondContact OD1-CB 3.42Å; D143-D145 PolarHBondContact OD1-N 3.13Å; D143-I146 HydrophobicContact CB-CB 4.15Å; D143-I146 HydrophobicContact CB-CD1 3.72Å; D143-I146 HydrophobicContact CB-CG1 3.99Å; D143-I146 PolarHBondContact OD1-N 3.27Å; D143-R147 WeakPolarHBondContact O-CG 3.25Å; D143-R147 PolarHBondContact O-N 3.21Å | ||
| 144 | L | 89.8 | Confident | 90.6 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -179.2 | -177.3 | 63.5 | 0 | 0 | 0 | 112.6 | R147 Q148 | L144-R147 PolarHBondContact O-N 2.85Å; L144-Q148 WeakPolarHBondContact O-CG 3.48Å; L144-Q148 PolarHBondContact O-N 3.43Å |
| 145 | D | 91.7 | Very high | 90.4 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | -175.8 | -68.6 | -24.3 | 0 | 0 | 0 | 110.5 | D143 R147 Q148 R149 | D143-D145 WeakPolarHBondContact OD1-CB 3.42Å; D143-D145 PolarHBondContact OD1-N 3.13Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 2.98Å; D145-Q148 PolarHBondContact O-N 2.76Å; D145-R149 WeakPolarHBondContact O-CG 3.5Å; D145-R149 PolarHBondContact O-N 3.26Å; D145-R149 VanDerWaalsContact O-N 3.09Å |
| 146 | I | 91.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 174 | -64.2 | 172.1 | 0 | 0 | 0 | 109.1 | L140 D143 Q148 R149 L150 A166 | L140-I146 HydrophobicContact CD2-CD1 4.41Å; D143-I146 HydrophobicContact CB-CB 4.15Å; D143-I146 HydrophobicContact CB-CD1 3.72Å; D143-I146 HydrophobicContact CB-CG1 3.99Å; D143-I146 PolarHBondContact OD1-N 3.27Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 2.8Å; I146-R149 PolarHBondContact O-N 3.26Å; I146-L150 HydrophobicContact CG2-CD1 3.84Å; I146-L150 HydrophobicContact CG2-CG 4.19Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.26Å; I146-A166 HydrophobicContact CD1-CB 3.67Å; I146-A166 HydrophobicContact CG1-CB 4Å; I146-A166 HydrophobicContact CG2-CB 4.17Å |
| 147 | R | 91.2 | Very high | 90 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 178.3 | -74 | -163.1 | -57.2 | -127.2 | 18.3 | 112.5 | D76 T78 F114 F141 D143 L144 D145 R149 L150 V151 | D76-R147 IonicContact OD1-CZ 3.21Å; D76-R147 IonicContact OD1-NH1 3.36Å; D76-R147 IonicContact OD1-NH2 2.74Å; D76-R147 PolarHBondContact OD1-NH2 3.29Å; D76-R147 IonicContact OD2-CZ 3.6Å; D76-R147 IonicContact OD2-NH1 3.43Å; D76-R147 PolarHBondContact OD2-NH1 3.47Å; D76-R147 IonicContact OD2-NH2 3.87Å; D76-R147 PolarHBondContact OD2-NH2 3.44Å; T78-R147 PolarHBondContact OG1-NE 3.22Å; T78-R147 PolarHBondContact OG1-NH1 3.48Å; T78-R147 PolarHBondContact OG1-NH2 2.6Å; F114-R147 HydrophobicContact CE2-CB 4.29Å; F114-R147 HydrophobicContact CE2-CG 4.46Å; F141-R147 HydrophobicContact CD1-CG 4.04Å; F141-R147 WeakPolarHBondContact O-CD 3.47Å; F141-R147 WeakPolarHBondContact O-CG 3.43Å; F141-R147 PolarHBondContact O-NH1 3.47Å; D143-R147 WeakPolarHBondContact O-CG 3.25Å; D143-R147 PolarHBondContact O-N 3.21Å; L144-R147 PolarHBondContact O-N 2.85Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 2.98Å; R147-R149 PolarHBondContact O-N 3.25Å; R147-L150 CarbonylContact O-C 3.46Å; R147-L150 WeakPolarHBondContact O-CB 3.49Å; R147-L150 PolarHBondContact O-N 3.4Å; R147-V151 WeakPolarHBondContact O-CG2 3.38Å; R147-V151 PolarHBondContact O-N 3.41Å |
| 148 | Q | 91.4 | Very high | 90 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 178.9 | -73.3 | 178.8 | -1.9 | 0 | 0 | 111.8 | L144 D145 I146 L150 V151 M152 | L144-Q148 WeakPolarHBondContact O-CG 3.48Å; L144-Q148 PolarHBondContact O-N 3.43Å; D145-Q148 PolarHBondContact O-N 2.76Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 2.8Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.44Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-M152 WeakPolarHBondContact O-CG 3.2Å; Q148-M152 PolarHBondContact O-N 2.92Å; Q148-M152 VanDerWaalsContact O-N 3.08Å |
| 149 | R | 91.9 | Very high | 89.9 | Confident | 113 Ų | 113 | 60 Ų | 60 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 174.9 | -64.7 | 175.1 | -148.9 | 165.8 | 7.4 | 111.7 | D145 I146 R147 M152 A153 T162 | D145-R149 WeakPolarHBondContact O-CG 3.5Å; D145-R149 PolarHBondContact O-N 3.26Å; D145-R149 VanDerWaalsContact O-N 3.09Å; I146-R149 PolarHBondContact O-N 3.26Å; R147-R149 PolarHBondContact O-N 3.25Å; R149-M152 PolarHBondContact O-N 3.19Å; R149-A153 PolarHBondContact O-N 3.01Å; R149-A153 VanDerWaalsContact O-N 3.1Å; R149-T162 HydrophobicContact CB-CG2 4.07Å |
| 150 | L | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -33.7 | 177.5 | -67.7 | 178.2 | 0 | 0 | 0 | 113.2 | R98 F114 F141 I146 R147 Q148 M152 F159 T162 M163 | R98-L150 WeakPolarHBondContact CD-O 3.49Å; R98-L150 PolarHBondContact NH1-O 2.84Å; F114-L150 HydrophobicContact CE1-CB 4.22Å; F114-L150 HydrophobicContact CZ-CB 3.82Å; F141-L150 HydrophobicContact CE1-CD1 3.87Å; F141-L150 HydrophobicContact CE2-CD1 4.4Å; F141-L150 HydrophobicContact CZ-CD1 3.77Å; I146-L150 HydrophobicContact CG2-CD1 3.84Å; I146-L150 HydrophobicContact CG2-CG 4.19Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.26Å; R147-L150 CarbonylContact O-C 3.46Å; R147-L150 WeakPolarHBondContact O-CB 3.49Å; R147-L150 PolarHBondContact O-N 3.4Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.44Å; L150-M152 VanDerWaalsContact C-N 3.33Å; L150-F159 HydrophobicContact CB-CD2 4.08Å; L150-F159 HydrophobicContact CB-CE2 3.61Å; L150-F159 HydrophobicContact CB-CZ 4.28Å; L150-F159 HydrophobicContact CD1-CE2 4.24Å; L150-F159 HydrophobicContact CD1-CZ 4.07Å; L150-F159 HydrophobicContact CD2-CD1 4.21Å; L150-F159 HydrophobicContact CD2-CD2 3.69Å; L150-F159 HydrophobicContact CD2-CE1 4.17Å; L150-F159 HydrophobicContact CD2-CE2 3.67Å; L150-F159 HydrophobicContact CD2-CG 3.97Å; L150-F159 HydrophobicContact CD2-CZ 3.9Å; L150-F159 HydrophobicContact CG-CD2 4.41Å; L150-F159 HydrophobicContact CG-CE2 4.01Å; L150-F159 HydrophobicContact CG-CZ 4.29Å; L150-T162 HydrophobicContact CD2-CG2 4.01Å; L150-M163 HydrophobicContact CD1-CG 4.19Å; L150-M163 HydrophobicContact CD1-SD 3.55Å; L150-M163 VanDerWaalsContact CD1-SD 3.55Å; L150-M163 HydrophobicContact CD2-CG 3.74Å; L150-M163 HydrophobicContact CD2-SD 4.18Å; L150-M163 HydrophobicContact CG-SD 4.47Å |
| 151 | V | 89.2 | Confident | 89.6 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 109.8 | R98 F114 R147 Q148 A153 | R98-V151 PolarHBondContact NH1-O 3.47Å; F114-V151 HydrophobicContact CE2-CG2 3.52Å; F114-V151 HydrophobicContact CZ-CB 4.33Å; F114-V151 HydrophobicContact CZ-CG2 3.41Å; F114-V151 VanDerWaalsContact CZ-CG2 3.41Å; R147-V151 WeakPolarHBondContact O-CG2 3.38Å; R147-V151 PolarHBondContact O-N 3.41Å; Q148-V151 PolarHBondContact O-N 3.28Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.47Å |
| 152 | M | 89.5 | Confident | 89.6 | Confident | 155 Ų | 155 | 68 Ų | 68 | 76% | 0.764 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -82 | -4.8 | -176.5 | -61.4 | -57 | -71.3 | 0 | 0 | 114.5 | Q148 R149 L150 P154 | Q148-M152 WeakPolarHBondContact O-CG 3.2Å; Q148-M152 PolarHBondContact O-N 2.92Å; Q148-M152 VanDerWaalsContact O-N 3.08Å; R149-M152 PolarHBondContact O-N 3.19Å; L150-M152 VanDerWaalsContact C-N 3.33Å; M152-P154 WeakPolarHBondContact O-CD 3.2Å |
| 153 | A | 88.6 | Confident | 89.5 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | trans | -61.1 | 122.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R98 R149 V151 Y158 F159 | R98-A153 VanDerWaalsContact CZ-O 3.23Å; R98-A153 PolarHBondContact NH1-O 2.67Å; R98-A153 PolarHBondContact NH2-O 3.48Å; R149-A153 PolarHBondContact O-N 3.01Å; R149-A153 VanDerWaalsContact O-N 3.1Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.47Å; A153-Y158 HydrophobicContact CB-CD1 3.72Å; A153-Y158 HydrophobicContact CB-CE1 4.33Å; A153-F159 HydrophobicContact CB-CB 4.07Å; A153-F159 HydrophobicContact CB-CD2 4.18Å | ||
| 154 | P | 89.2 | Confident | 89.5 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 71% | 0.708 | 33% | 0.334 | S | S | * | . | trans | -74.8 | -38.9 | -176.9 | 27.1 | -33.3 | 0 | 0 | 0 | 112.9 | M152 | M152-P154 WeakPolarHBondContact O-CD 3.2Š| ||
| 155 | S | 87.3 | Confident | 89.6 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -118.5 | 161.7 | -177.1 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | E157 Y158 F159 | S155-E157 VanDerWaalsContact C-N 3.31Å; S155-Y158 PolarHBondContact O-N 2.87Å; S155-Y158 VanDerWaalsContact OG-CB 3.3Å; S155-Y158 WeakPolarHBondContact OG-CB 3.46Å; S155-Y158 PolarHBondContact OG-N 2.57Å; S155-Y158 VanDerWaalsContact OG-N 3.12Å; S155-F159 WeakPolarHBondContact O-CB 3.38Å; S155-F159 PolarHBondContact O-N 3.14Å |
| 156 | V | 84.2 | Confident | 89.5 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 175.7 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | V8 F159 R160 | V8-V156 HydrophobicContact CB-CB 4.5Å; V8-V156 HydrophobicContact CB-CG1 3.79Å; V8-V156 HydrophobicContact CB-CG2 4.24Å; V8-V156 HydrophobicContact CG1-CG2 4.44Å; V8-V156 HydrophobicContact CG2-CG1 4.22Å; V8-V156 WeakPolarHBondContact O-CG2 3.31Å; V156-F159 WeakPolarHBondContact O-CB 3Å; V156-F159 PolarHBondContact O-N 2.58Å; V156-R160 WeakPolarHBondContact O-CB 2.99Å; V156-R160 WeakPolarHBondContact O-CG 3.27Å; V156-R160 PolarHBondContact O-N 2.8Å |
| 157 | E | 86.6 | Confident | 89.5 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.6 | -46.3 | 177.8 | -64.2 | 65.6 | -139.9 | 0 | 0 | 110.5 | S155 F159 R160 Q161 | S155-E157 VanDerWaalsContact C-N 3.31Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 2.76Å; E157-R160 PolarHBondContact O-N 3.24Å; E157-Q161 WeakPolarHBondContact O-CB 3.4Å; E157-Q161 PolarHBondContact O-N 3.1Å |
| 158 | Y | 90.2 | Very high | 89.5 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.5 | -174.7 | -94.2 | 0 | 0 | 0 | 111.4 | A153 S155 Q161 T162 | A153-Y158 HydrophobicContact CB-CD1 3.72Å; A153-Y158 HydrophobicContact CB-CE1 4.33Å; S155-Y158 PolarHBondContact O-N 2.87Å; S155-Y158 VanDerWaalsContact OG-CB 3.3Å; S155-Y158 WeakPolarHBondContact OG-CB 3.46Å; S155-Y158 PolarHBondContact OG-N 2.57Å; S155-Y158 VanDerWaalsContact OG-N 3.12Å; Y158-Q161 PolarHBondContact O-N 3.48Å; Y158-T162 WeakPolarHBondContact CE1-OG1 3.32Å; Y158-T162 WeakPolarHBondContact O-CB 3.21Å; Y158-T162 PolarHBondContact O-N 2.65Å; Y158-T162 PolarHBondContact O-OG1 3.2Å |
| 159 | F | 89.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 173.1 | -175.2 | -78.1 | 0 | 0 | 0 | 111.6 | V8 I96 F114 F141 L150 A153 S155 V156 E157 Q161 T162 M163 | V8-F159 HydrophobicContact CB-CD1 4.32Å; V8-F159 HydrophobicContact CG1-CB 4.42Å; V8-F159 HydrophobicContact CG1-CD1 3.67Å; V8-F159 HydrophobicContact CG1-CD2 4.23Å; V8-F159 HydrophobicContact CG1-CE1 3.91Å; V8-F159 HydrophobicContact CG1-CE2 4.41Å; V8-F159 HydrophobicContact CG1-CG 3.86Å; V8-F159 HydrophobicContact CG1-CZ 4.28Å; V8-F159 HydrophobicContact CG2-CD1 3.69Å; V8-F159 HydrophobicContact CG2-CE1 3.95Å; I96-F159 HydrophobicContact CD1-CE1 4.2Å; I96-F159 HydrophobicContact CG2-CE1 4.21Å; I96-F159 HydrophobicContact CG2-CZ 3.84Å; F114-F159 AromaticContact CE1-CE2 3.96Å; F114-F159 HydrophobicContact CE1-CE2 3.96Å; F114-F159 HydrophobicContact CE1-CZ 4.46Å; F141-F159 HydrophobicContact CZ-CZ 4.27Å; L150-F159 HydrophobicContact CB-CD2 4.08Å; L150-F159 HydrophobicContact CB-CE2 3.61Å; L150-F159 HydrophobicContact CB-CZ 4.28Å; L150-F159 HydrophobicContact CD1-CE2 4.24Å; L150-F159 HydrophobicContact CD1-CZ 4.07Å; L150-F159 HydrophobicContact CD2-CD1 4.21Å; L150-F159 HydrophobicContact CD2-CD2 3.69Å; L150-F159 HydrophobicContact CD2-CE1 4.17Å; L150-F159 HydrophobicContact CD2-CE2 3.67Å; L150-F159 HydrophobicContact CD2-CG 3.97Å; L150-F159 HydrophobicContact CD2-CZ 3.9Å; L150-F159 HydrophobicContact CG-CD2 4.41Å; L150-F159 HydrophobicContact CG-CE2 4.01Å; L150-F159 HydrophobicContact CG-CZ 4.29Å; A153-F159 HydrophobicContact CB-CB 4.07Å; A153-F159 HydrophobicContact CB-CD2 4.18Å; S155-F159 WeakPolarHBondContact O-CB 3.38Å; S155-F159 PolarHBondContact O-N 3.14Å; V156-F159 WeakPolarHBondContact O-CB 3Å; V156-F159 PolarHBondContact O-N 2.58Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 2.76Å; F159-Q161 PolarHBondContact O-N 3.31Å; F159-T162 PolarHBondContact O-N 3.21Å; F159-M163 HydrophobicContact CD1-CG 4.16Å; F159-M163 HydrophobicContact CE1-CG 3.83Å; F159-M163 PolarHBondContact O-N 2.87Å |
| 160 | R | 86.9 | Confident | 89.3 | Confident | 85 Ų | 85 | 66 Ų | 66 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 177.9 | -76.9 | 175.7 | 171.7 | 160.6 | -4.3 | 111.3 | I5 L6 V8 V156 E157 M163 L164 | I5-R160 HydrophobicContact CG2-CG 4.49Å; L6-R160 PolarHBondContact O-NH2 3.45Å; V8-R160 HydrophobicContact CG2-CG 4.14Å; V156-R160 WeakPolarHBondContact O-CB 2.99Å; V156-R160 WeakPolarHBondContact O-CG 3.27Å; V156-R160 PolarHBondContact O-N 2.8Å; E157-R160 PolarHBondContact O-N 3.24Å; R160-M163 PolarHBondContact O-N 3.02Å; R160-L164 VanDerWaalsContact O-CG 3.29Å; R160-L164 WeakPolarHBondContact O-CG 3.28Å; R160-L164 PolarHBondContact O-N 2.86Å |
| 161 | Q | 89.9 | Confident | 89.1 | Confident | 135 Ų | 135 | 67.9 Ų | 67.9 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 178.9 | -171.7 | 175.9 | 5.8 | 0 | 0 | 111.9 | E157 Y158 F159 M163 L164 F165 | E157-Q161 WeakPolarHBondContact O-CB 3.4Å; E157-Q161 PolarHBondContact O-N 3.1Å; Y158-Q161 PolarHBondContact O-N 3.48Å; F159-Q161 PolarHBondContact O-N 3.31Å; Q161-M163 PolarHBondContact O-N 2.71Å; Q161-L164 PolarHBondContact O-N 2.65Å; Q161-F165 WeakPolarHBondContact O-CB 3.14Å; Q161-F165 PolarHBondContact O-N 3.21Å |
| 162 | T | 91 | Very high | 89.2 | Confident | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | R149 L150 Y158 F159 F165 A166 | R149-T162 HydrophobicContact CB-CG2 4.07Å; L150-T162 HydrophobicContact CD2-CG2 4.01Å; Y158-T162 WeakPolarHBondContact CE1-OG1 3.32Å; Y158-T162 WeakPolarHBondContact O-CB 3.21Å; Y158-T162 PolarHBondContact O-N 2.65Å; Y158-T162 PolarHBondContact O-OG1 3.2Å; F159-T162 PolarHBondContact O-N 3.21Å; T162-F165 PolarHBondContact O-N 2.99Å; T162-A166 VanDerWaalsContact O-CB 3.29Å; T162-A166 WeakPolarHBondContact O-CB 3.09Å; T162-A166 PolarHBondContact O-N 3.45Å |
| 163 | M | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.5 | -83.3 | -65.6 | -72.3 | 0 | 0 | 112.7 | I96 F137 L140 F141 L150 F159 R160 Q161 A166 A167 | I96-M163 HydrophobicContact CD1-CE 4.36Å; F137-M163 HydrophobicContact CD1-CE 3.84Å; F137-M163 HydrophobicContact CE1-CE 4.06Å; L140-M163 HydrophobicContact CB-CE 4.28Å; L140-M163 HydrophobicContact CD1-CE 3.6Å; F141-M163 HydrophobicContact CD2-CE 4.49Å; F141-M163 HydrophobicContact CE2-CE 3.79Å; F141-M163 HydrophobicContact CE2-SD 3.99Å; F141-M163 HydrophobicContact CZ-SD 4.37Å; L150-M163 HydrophobicContact CD1-CG 4.19Å; L150-M163 HydrophobicContact CD1-SD 3.55Å; L150-M163 VanDerWaalsContact CD1-SD 3.55Å; L150-M163 HydrophobicContact CD2-CG 3.74Å; L150-M163 HydrophobicContact CD2-SD 4.18Å; L150-M163 HydrophobicContact CG-SD 4.47Å; F159-M163 HydrophobicContact CD1-CG 4.16Å; F159-M163 HydrophobicContact CE1-CG 3.83Å; F159-M163 PolarHBondContact O-N 2.87Å; R160-M163 PolarHBondContact O-N 3.02Å; Q161-M163 PolarHBondContact O-N 2.71Å; M163-A166 PolarHBondContact O-N 2.82Å; M163-A167 VanDerWaalsContact O-CB 3.31Å; M163-A167 WeakPolarHBondContact O-CB 3.32Å; M163-A167 PolarHBondContact O-N 3.41Å |
| 164 | L | 89.5 | Confident | 88.9 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 179.2 | -74.2 | 172 | 0 | 0 | 0 | 111.9 | F3 R160 Q161 K168 | F3-L164 HydrophobicContact CB-CD2 4.05Å; F3-L164 HydrophobicContact CD2-CD2 3.32Å; F3-L164 HydrophobicContact CE2-CD2 3.88Å; F3-L164 HydrophobicContact CG-CD2 3.76Å; R160-L164 VanDerWaalsContact O-CG 3.29Å; R160-L164 WeakPolarHBondContact O-CG 3.28Å; R160-L164 PolarHBondContact O-N 2.86Å; Q161-L164 PolarHBondContact O-N 2.65Å; L164-K168 PolarHBondContact O-N 3.32Å; L164-K168 VanDerWaalsContact O-N 3.08Å |
| 165 | F | 91.3 | Very high | 88.7 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -50.4 | 176.2 | -178.4 | -100.3 | 0 | 0 | 0 | 110.9 | Q161 T162 A167 K168 E169 | Q161-F165 WeakPolarHBondContact O-CB 3.14Å; Q161-F165 PolarHBondContact O-N 3.21Å; T162-F165 PolarHBondContact O-N 2.99Å; F165-A167 VanDerWaalsContact C-N 3.32Å; F165-A167 PolarHBondContact O-N 3.42Å; F165-K168 WeakPolarHBondContact O-CA 3.28Å; F165-K168 WeakPolarHBondContact O-CB 3.29Å; F165-K168 PolarHBondContact O-N 2.97Å; F165-E169 HydrophobicContact CD1-CG 4.32Å; F165-E169 HydrophobicContact CE1-CG 3.88Å; F165-E169 WeakPolarHBondContact CE1-OE2 3.43Å; F165-E169 HydrophobicContact CE2-CG 4.45Å; F165-E169 VanDerWaalsContact CZ-CD 3.5Å; F165-E169 HydrophobicContact CZ-CG 3.94Å; F165-E169 WeakPolarHBondContact CZ-OE1 3.47Å; F165-E169 PolarHBondContact O-N 3.2Å |
| 166 | A | 90.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L140 I146 T162 M163 K168 E169 L170 | L140-A166 HydrophobicContact CD2-CB 4.25Å; I146-A166 HydrophobicContact CD1-CB 3.67Å; I146-A166 HydrophobicContact CG1-CB 4Å; I146-A166 HydrophobicContact CG2-CB 4.17Å; T162-A166 VanDerWaalsContact O-CB 3.29Å; T162-A166 WeakPolarHBondContact O-CB 3.09Å; T162-A166 PolarHBondContact O-N 3.45Å; M163-A166 PolarHBondContact O-N 2.82Å; A166-K168 VanDerWaalsContact C-N 3.29Å; A166-K168 PolarHBondContact O-N 3.45Å; A166-E169 PolarHBondContact O-N 2.86Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.07Å |
| 167 | A | 90.3 | Very high | 88.4 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F3 L140 M163 F165 A171 | F3-A167 HydrophobicContact CE1-CB 4.49Å; F3-A167 HydrophobicContact CE2-CB 3.89Å; F3-A167 HydrophobicContact CZ-CB 3.45Å; F3-A167 VanDerWaalsContact CZ-CB 3.45Å; L140-A167 HydrophobicContact CD1-CB 4.09Å; L140-A167 HydrophobicContact CD2-CB 4.12Å; M163-A167 VanDerWaalsContact O-CB 3.31Å; M163-A167 WeakPolarHBondContact O-CB 3.32Å; M163-A167 PolarHBondContact O-N 3.41Å; F165-A167 VanDerWaalsContact C-N 3.32Å; F165-A167 PolarHBondContact O-N 3.42Å; A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.03Å; A167-A171 VanDerWaalsContact O-N 3.11Å |
| 168 | K | 91.3 | Very high | 87.8 | Confident | 148 Ų | 148 | 70.4 Ų | 70.4 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.8 | -45.2 | 175.7 | -172.7 | -176.8 | 177.1 | -173.1 | 0 | 111.1 | L164 F165 A166 A171 V172 | L164-K168 PolarHBondContact O-N 3.32Å; L164-K168 VanDerWaalsContact O-N 3.08Å; F165-K168 WeakPolarHBondContact O-CA 3.28Å; F165-K168 WeakPolarHBondContact O-CB 3.29Å; F165-K168 PolarHBondContact O-N 2.97Å; A166-K168 VanDerWaalsContact C-N 3.29Å; A166-K168 PolarHBondContact O-N 3.45Å; K168-A171 PolarHBondContact O-N 3.12Å; K168-V172 WeakPolarHBondContact O-CG2 3.24Å; K168-V172 PolarHBondContact O-N 3.27Å; K168-V172 VanDerWaalsContact O-N 3.08Å |
| 169 | E | 90.3 | Very high | 87.1 | Confident | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 176.9 | -69.3 | -161.2 | 121 | 0 | 0 | 111.3 | F165 A166 A171 V172 E173 | F165-E169 HydrophobicContact CD1-CG 4.32Å; F165-E169 HydrophobicContact CE1-CG 3.88Å; F165-E169 WeakPolarHBondContact CE1-OE2 3.43Å; F165-E169 HydrophobicContact CE2-CG 4.45Å; F165-E169 VanDerWaalsContact CZ-CD 3.5Å; F165-E169 HydrophobicContact CZ-CG 3.94Å; F165-E169 WeakPolarHBondContact CZ-OE1 3.47Å; F165-E169 PolarHBondContact O-N 3.2Å; A166-E169 PolarHBondContact O-N 2.86Å; E169-A171 PolarHBondContact O-N 3.26Å; E169-V172 WeakPolarHBondContact O-CA 3.3Å; E169-V172 WeakPolarHBondContact O-CB 3.34Å; E169-V172 PolarHBondContact O-N 3.25Å; E169-E173 PolarHBondContact O-N 3.14Å |
| 170 | L | 88.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 179.2 | -152.4 | 82.5 | 0 | 0 | 0 | 111.9 | T139 L140 A166 E173 Q174 | T139-L170 HydrophobicContact CG2-CD2 3.7Å; L140-L170 HydrophobicContact CD2-CD2 4.21Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.07Å; L170-E173 PolarHBondContact O-N 2.8Å; L170-Q174 VanDerWaalsContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CG 3.05Å; L170-Q174 PolarHBondContact O-N 3.23Å |
| 171 | A | 88.2 | Confident | 85.5 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A167 K168 E169 N175 | A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.03Å; A167-A171 VanDerWaalsContact O-N 3.11Å; K168-A171 PolarHBondContact O-N 3.12Å; E169-A171 PolarHBondContact O-N 3.26Å; A171-N175 WeakPolarHBondContact O-CB 3.42Å; A171-N175 PolarHBondContact O-N 3.29Å; A171-N175 PolarHBondContact O-ND2 3.43Å |
| 172 | V | 90.4 | Very high | 84.4 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | K168 E169 Q174 N175 Q176 | K168-V172 WeakPolarHBondContact O-CG2 3.24Å; K168-V172 PolarHBondContact O-N 3.27Å; K168-V172 VanDerWaalsContact O-N 3.08Å; E169-V172 WeakPolarHBondContact O-CA 3.3Å; E169-V172 WeakPolarHBondContact O-CB 3.34Å; E169-V172 PolarHBondContact O-N 3.25Å; V172-Q174 PolarHBondContact O-N 2.73Å; V172-N175 PolarHBondContact O-N 3.21Å; V172-Q176 HydrophobicContact CG1-CG 4.41Å; V172-Q176 WeakPolarHBondContact O-CG 3.5Å; V172-Q176 PolarHBondContact O-N 3.33Å |
| 173 | E | 86.4 | Confident | 83.2 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.4 | -69.5 | -178.8 | 171.3 | 0 | 0 | 112.2 | E169 L170 N175 Q176 S177 | E169-E173 PolarHBondContact O-N 3.14Å; L170-E173 PolarHBondContact O-N 2.8Å; E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.16Å; E173-Q176 PolarHBondContact O-N 2.58Å; E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.22Å; E173-S177 PolarHBondContact O-N 3.25Å |
| 174 | Q | 85.5 | Confident | 82 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.5 | -76 | 178 | -6 | 0 | 0 | 112 | L170 V172 R178 | L170-Q174 VanDerWaalsContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CG 3.05Å; L170-Q174 PolarHBondContact O-N 3.23Å; V172-Q174 PolarHBondContact O-N 2.73Å; Q174-R178 VanDerWaalsContact O-CB 3.24Å; Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 3.09Å |
| 175 | N | 84.8 | Confident | 80.8 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 35% | 0.348 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 174.8 | -75.3 | -26.8 | 0 | 0 | 0 | 111.3 | A171 V172 E173 R178 D179 | A171-N175 WeakPolarHBondContact O-CB 3.42Å; A171-N175 PolarHBondContact O-N 3.29Å; A171-N175 PolarHBondContact O-ND2 3.43Å; V172-N175 PolarHBondContact O-N 3.21Å; E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.16Å; N175-R178 CarbonylContact O-C 3.57Å; N175-R178 WeakPolarHBondContact O-CB 3.48Å; N175-R178 PolarHBondContact O-N 2.83Å; N175-R178 PolarHBondContact OD1-NH1 3.34Å; N175-R178 PolarHBondContact OD1-NH2 2.83Å; N175-D179 PolarHBondContact O-N 3.39Å |
| 176 | Q | 85.7 | Confident | 79.5 | Confident | 104 Ų | 104 | 83.6 Ų | 83.6 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.1 | -71.1 | 179.2 | 2.5 | 0 | 0 | 112.2 | V172 E173 R178 D179 R180 | V172-Q176 HydrophobicContact CG1-CG 4.41Å; V172-Q176 WeakPolarHBondContact O-CG 3.5Å; V172-Q176 PolarHBondContact O-N 3.33Å; E173-Q176 PolarHBondContact O-N 2.58Å; Q176-R178 VanDerWaalsContact C-N 3.29Å; Q176-R178 PolarHBondContact O-N 2.82Å; Q176-D179 PolarHBondContact O-N 3.04Å; Q176-R180 WeakPolarHBondContact O-CB 3.16Å; Q176-R180 WeakPolarHBondContact O-CG 3.48Å; Q176-R180 PolarHBondContact O-N 3.41Å |
| 177 | S | 80.2 | Confident | 78.2 | Confident | 57 Ų | 57 | 87 Ų | 87 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | E173 K181 | E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.22Å; E173-S177 PolarHBondContact O-N 3.25Å; S177-K181 WeakPolarHBondContact O-CG 3.43Å; S177-K181 PolarHBondContact O-N 3.5Å |
| 178 | R | 75.1 | Confident | 76.8 | Confident | 81 Ų | 81 | 90 Ų | 90 | 31% | 0.306 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 172.1 | -177.6 | -174.4 | 66.6 | -138.7 | -3.3 | 111.5 | Q174 N175 Q176 R180 K181 L182 | Q174-R178 VanDerWaalsContact O-CB 3.24Å; Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 3.09Å; N175-R178 CarbonylContact O-C 3.57Å; N175-R178 WeakPolarHBondContact O-CB 3.48Å; N175-R178 PolarHBondContact O-N 2.83Å; N175-R178 PolarHBondContact OD1-NH1 3.34Å; N175-R178 PolarHBondContact OD1-NH2 2.83Å; Q176-R178 VanDerWaalsContact C-N 3.29Å; Q176-R178 PolarHBondContact O-N 2.82Å; R178-R180 VanDerWaalsContact C-N 3.28Å; R178-R180 PolarHBondContact O-N 2.99Å; R178-K181 CarbonylContact O-C 3.55Å; R178-K181 PolarHBondContact O-N 3.4Å; R178-K181 VanDerWaalsContact O-N 3.13Å; R178-L182 WeakPolarHBondContact O-CB 3.19Å; R178-L182 PolarHBondContact O-N 2.86Å |
| 179 | D | 74.2 | Confident | 75.3 | Confident | 84 Ų | 84 | 83 Ų | 83 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | -177.4 | -63.7 | -15.5 | 0 | 0 | 0 | 111.2 | N175 Q176 L182 S183 | N175-D179 PolarHBondContact O-N 3.39Å; Q176-D179 PolarHBondContact O-N 3.04Å; D179-L182 PolarHBondContact O-N 3.2Å; D179-S183 WeakPolarHBondContact O-CB 3.21Å; D179-S183 PolarHBondContact O-N 3.45Å; D179-S183 PolarHBondContact O-OG 2.87Å |
| 180 | R | 74.8 | Confident | 73.9 | Confident | 181 Ų | 181 | 85.3 Ų | 85.3 | 68% | 0.683 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.1 | -44 | 170.3 | -72.7 | 177.8 | -175.2 | -174.4 | 3.5 | 112.6 | Q176 R178 L182 S183 L184 | Q176-R180 WeakPolarHBondContact O-CB 3.16Å; Q176-R180 WeakPolarHBondContact O-CG 3.48Å; Q176-R180 PolarHBondContact O-N 3.41Å; R178-R180 VanDerWaalsContact C-N 3.28Å; R178-R180 PolarHBondContact O-N 2.99Å; R180-L182 VanDerWaalsContact C-N 3.33Å; R180-S183 PolarHBondContact O-OG 3.49Å; R180-L184 WeakPolarHBondContact O-CB 3.39Å; R180-L184 PolarHBondContact O-N 3.39Å |
| 181 | K | 69.5 | Low | 72.5 | Confident | 147 Ų | 147 | 89.4 Ų | 89.4 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 175.5 | -74 | 178.9 | -175.2 | -176.1 | 0 | 111.3 | S177 R178 H185 | S177-K181 WeakPolarHBondContact O-CG 3.43Å; S177-K181 PolarHBondContact O-N 3.5Å; R178-K181 CarbonylContact O-C 3.55Å; R178-K181 PolarHBondContact O-N 3.4Å; R178-K181 VanDerWaalsContact O-N 3.13Å; K181-H185 WeakPolarHBondContact O-CB 3.4Å; K181-H185 PolarHBondContact O-N 3.16Å |
| 182 | L | 64.8 | Low | 71 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 178.8 | -172.1 | 138.8 | 0 | 0 | 0 | 111.6 | R178 D179 R180 H185 L186 | R178-L182 WeakPolarHBondContact O-CB 3.19Å; R178-L182 PolarHBondContact O-N 2.86Å; D179-L182 PolarHBondContact O-N 3.2Å; R180-L182 VanDerWaalsContact C-N 3.33Å; L182-H185 PolarHBondContact O-N 3.41Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 PolarHBondContact O-N 3.34Å |
| 183 | S | 66.1 | Low | 69.4 | Low | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 175.4 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | D179 R180 L186 S187 | D179-S183 WeakPolarHBondContact O-CB 3.21Å; D179-S183 PolarHBondContact O-N 3.45Å; D179-S183 PolarHBondContact O-OG 2.87Å; R180-S183 PolarHBondContact O-OG 3.49Å; S183-L186 PolarHBondContact O-N 3.48Å; S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 3.32Å; S183-S187 PolarHBondContact O-OG 2.73Å |
| 184 | L | 65.7 | Low | 68.1 | Low | 114 Ų | 114 | 90 Ų | 90 | 60% | 0.597 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 173.3 | -162.3 | 116.1 | 0 | 0 | 0 | 111.1 | R180 S187 N188 | R180-L184 WeakPolarHBondContact O-CB 3.39Å; R180-L184 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-N 3.34Å; L184-N188 PolarHBondContact O-N 2.95Å |
| 185 | H | 64.5 | Low | 66.5 | Low | 78 Ų | 78 | 92 Ų | 92 | 36% | 0.361 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.8 | -172.4 | -119.6 | 0 | 0 | 0 | 111.7 | K181 L182 S187 N188 A189 W342 | K181-H185 WeakPolarHBondContact O-CB 3.4Å; K181-H185 PolarHBondContact O-N 3.16Å; L182-H185 PolarHBondContact O-N 3.41Å; H185-S187 VanDerWaalsContact C-N 3.34Å; H185-N188 PolarHBondContact O-N 3.47Å; H185-A189 WeakPolarHBondContact O-CA 3.41Å; H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 3.32Å; H185-W342 AromaticContact CE1-CD1 3.41Å; H185-W342 VanDerWaalsContact CE1-CD1 3.41Å; H185-W342 AromaticContact CE1-NE1 3.32Å; H185-W342 PolarHBondContact CE1-NE1 2.93Å; H185-W342 VanDerWaalsContact CE1-NE1 3.32Å; H185-W342 AromaticContact ND1-CD1 3.36Å; H185-W342 AromaticContact ND1-NE1 3.56Å |
| 186 | L | 62.6 | Low | 64.9 | Low | 74 Ų | 74 | 90.7 Ų | 90.7 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 175.8 | -172.2 | 66.4 | 0 | 0 | 0 | 111.7 | L182 S183 A189 K190 | L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 PolarHBondContact O-N 3.34Å; S183-L186 PolarHBondContact O-N 3.48Å; L186-A189 WeakPolarHBondContact O-CB 3.22Å; L186-A189 PolarHBondContact O-N 3.36Å; L186-K190 WeakPolarHBondContact O-CB 3.27Å; L186-K190 WeakPolarHBondContact O-CG 3.49Å; L186-K190 PolarHBondContact O-N 3.01Å |
| 187 | S | 62.7 | Low | 63.5 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | S183 L184 H185 A189 K190 Q191 | S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 3.32Å; S183-S187 PolarHBondContact O-OG 2.73Å; L184-S187 PolarHBondContact O-N 3.34Å; H185-S187 VanDerWaalsContact C-N 3.34Å; S187-A189 PolarHBondContact O-N 3.36Å; S187-K190 PolarHBondContact O-N 3.43Å; S187-Q191 PolarHBondContact O-N 3.25Å; S187-Q191 VanDerWaalsContact O-N 3.1Å |
| 188 | N | 62.7 | Low | 62.4 | Low | 78 Ų | 78 | 97 Ų | 97 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | 172.2 | -72.3 | -9.2 | 0 | 0 | 0 | 111.5 | L184 H185 Q191 Q192 | L184-N188 PolarHBondContact O-N 2.95Å; H185-N188 PolarHBondContact O-N 3.47Å; N188-Q191 PolarHBondContact O-N 2.77Å; N188-Q192 WeakPolarHBondContact O-CB 3.34Å; N188-Q192 VanDerWaalsContact O-CG 3.3Å; N188-Q192 WeakPolarHBondContact O-CG 3.4Å; N188-Q192 PolarHBondContact O-N 2.92Å |
| 189 | A | 59.2 | Low | 61.8 | Low | 1 Ų | 1 | 96.1 Ų | 96.1 | 1% | 0.008 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H185 L186 S187 Q191 Q192 L193 W342 | H185-A189 WeakPolarHBondContact O-CA 3.41Å; H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 3.32Å; L186-A189 WeakPolarHBondContact O-CB 3.22Å; L186-A189 PolarHBondContact O-N 3.36Å; S187-A189 PolarHBondContact O-N 3.36Å; A189-Q191 VanDerWaalsContact C-N 3.26Å; A189-Q191 PolarHBondContact O-N 3.31Å; A189-Q192 CarbonylContact O-C 3.26Å; A189-Q192 PolarHBondContact O-N 3.46Å; A189-L193 VanDerWaalsContact O-CB 3.31Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 WeakPolarHBondContact O-CG 3.3Å; A189-L193 PolarHBondContact O-N 2.73Å; A189-W342 HydrophobicContact CB-CD2 4.1Å; A189-W342 HydrophobicContact CB-CH2 4.15Å; A189-W342 HydrophobicContact CB-CZ2 3.19Å |
| 190 | K | 59.8 | Low | 61.1 | Low | 138 Ų | 138 | 95.2 Ų | 95.2 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 173.3 | -81.4 | -175.5 | 178.4 | -174.5 | 0 | 110.1 | L186 S187 L193 V194 | L186-K190 WeakPolarHBondContact O-CB 3.27Å; L186-K190 WeakPolarHBondContact O-CG 3.49Å; L186-K190 PolarHBondContact O-N 3.01Å; S187-K190 PolarHBondContact O-N 3.43Å; K190-L193 PolarHBondContact O-N 3.39Å; K190-V194 WeakPolarHBondContact O-CG2 3.32Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.13Å |
| 191 | Q | 59 | Low | 60.7 | Low | 118 Ų | 118 | 88.6 Ų | 88.6 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 175.1 | -159.9 | 170.9 | 9.5 | 0 | 0 | 110.9 | S187 N188 A189 V194 Y195 | S187-Q191 PolarHBondContact O-N 3.25Å; S187-Q191 VanDerWaalsContact O-N 3.1Å; N188-Q191 PolarHBondContact O-N 2.77Å; A189-Q191 VanDerWaalsContact C-N 3.26Å; A189-Q191 PolarHBondContact O-N 3.31Å; Q191-V194 PolarHBondContact O-N 2.92Å; Q191-Y195 HydrophobicContact CG-CE2 4.11Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.31Å; Q191-Y195 PolarHBondContact O-N 3.08Å |
| 192 | Q | 57.6 | Low | 60.8 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 173.8 | -78.8 | -179.5 | -0.4 | 0 | 0 | 113.5 | N188 A189 V194 Y195 L196 | N188-Q192 WeakPolarHBondContact O-CB 3.34Å; N188-Q192 VanDerWaalsContact O-CG 3.3Å; N188-Q192 WeakPolarHBondContact O-CG 3.4Å; N188-Q192 PolarHBondContact O-N 2.92Å; A189-Q192 CarbonylContact O-C 3.26Å; A189-Q192 PolarHBondContact O-N 3.46Å; Q192-V194 VanDerWaalsContact C-N 3.32Å; Q192-Y195 CarbonylContact O-C 3.48Å; Q192-Y195 PolarHBondContact O-N 3.28Å; Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.28Å; Q192-L196 PolarHBondContact O-N 2.98Å |
| 193 | L | 56.9 | Low | 61.3 | Low | 45 Ų | 45 | 83.2 Ų | 83.2 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 177.9 | -92.2 | 163.6 | 0 | 0 | 0 | 110.4 | A189 K190 Y195 L196 F197 I339 W342 | A189-L193 VanDerWaalsContact O-CB 3.31Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 WeakPolarHBondContact O-CG 3.3Å; A189-L193 PolarHBondContact O-N 2.73Å; K190-L193 PolarHBondContact O-N 3.39Å; L193-Y195 VanDerWaalsContact C-N 3.31Å; L193-L196 PolarHBondContact O-N 3.44Å; L193-F197 WeakPolarHBondContact O-CB 3.27Å; L193-F197 PolarHBondContact O-N 3.42Å; L193-I339 HydrophobicContact CD2-CD1 4.27Å; L193-W342 HydrophobicContact CD1-CE3 4.49Å; L193-W342 HydrophobicContact CD1-CH2 3.68Å; L193-W342 HydrophobicContact CD1-CZ3 3.58Å; L193-W342 HydrophobicContact CD2-CH2 3.85Å; L193-W342 HydrophobicContact CD2-CZ3 3.93Å; L193-W342 HydrophobicContact CG-CH2 3.48Å; L193-W342 VanDerWaalsContact CG-CH2 3.48Å; L193-W342 HydrophobicContact CG-CZ2 4.45Å; L193-W342 HydrophobicContact CG-CZ3 3.8Å |
| 194 | V | 57.8 | Low | 62 | Low | 95 Ų | 95 | 83.5 Ų | 83.5 | 58% | 0.576 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | K190 Q191 Q192 L198 | K190-V194 WeakPolarHBondContact O-CG2 3.32Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.13Å; Q191-V194 PolarHBondContact O-N 2.92Å; Q192-V194 VanDerWaalsContact C-N 3.32Å; V194-L198 PolarHBondContact O-N 3.2Å |
| 195 | Y | 53.3 | Low | 62.8 | Low | 152 Ų | 152 | 83.9 Ų | 83.9 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.8 | -36.1 | 172.6 | -72.7 | -68.6 | 0 | 0 | 0 | 112.9 | Q191 Q192 L193 L198 D199 | Q191-Y195 HydrophobicContact CG-CE2 4.11Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.31Å; Q191-Y195 PolarHBondContact O-N 3.08Å; Q192-Y195 CarbonylContact O-C 3.48Å; Q192-Y195 PolarHBondContact O-N 3.28Å; L193-Y195 VanDerWaalsContact C-N 3.31Å; Y195-L198 CarbonylContact O-C 3.44Å; Y195-L198 WeakPolarHBondContact O-CA 3.19Å; Y195-L198 WeakPolarHBondContact O-CB 3.04Å; Y195-L198 PolarHBondContact O-N 3.18Å; Y195-L198 VanDerWaalsContact O-N 3.11Å; Y195-D199 WeakPolarHBondContact O-CB 3.19Å; Y195-D199 PolarHBondContact O-N 3.46Å |
| 196 | L | 51.6 | Low | 63.7 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 20% | 0.199 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69 | -40 | -179 | -161.3 | 84.2 | 0 | 0 | 0 | 110.6 | Q192 L193 L198 D199 E200 N338 | Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.28Å; Q192-L196 PolarHBondContact O-N 2.98Å; L193-L196 PolarHBondContact O-N 3.44Å; L196-L198 PolarHBondContact O-N 2.79Å; L196-D199 CarbonylContact O-C 3.58Å; L196-D199 VanDerWaalsContact O-C 3.26Å; L196-D199 PolarHBondContact O-N 3.19Å; L196-E200 WeakPolarHBondContact O-CA 3.4Å; L196-E200 VanDerWaalsContact O-CG 3.31Å; L196-E200 WeakPolarHBondContact O-CG 2.98Å; L196-E200 PolarHBondContact O-N 3.28Å; L196-N338 HydrophobicContact CD2-CB 4.41Å |
| 197 | F | 56.3 | Low | 64.8 | Low | 150 Ų | 150 | 88.4 Ų | 88.4 | 66% | 0.658 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.7 | -24 | 171.9 | -110.1 | -76.4 | 0 | 0 | 0 | 112.6 | L193 E200 | L193-F197 WeakPolarHBondContact O-CB 3.27Å; L193-F197 PolarHBondContact O-N 3.42Å; F197-E200 WeakPolarHBondContact CD1-OE1 3.47Å; F197-E200 WeakPolarHBondContact CE1-OE1 3.43Å; F197-E200 WeakPolarHBondContact O-CG 3.43Å |
| 198 | L | 57 | Low | 65.9 | Low | 142 Ų | 142 | 90.8 Ų | 90.8 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -86.8 | -17.6 | 172.6 | -81.3 | 157.1 | 0 | 0 | 0 | 112.8 | V194 Y195 L196 | V194-L198 PolarHBondContact O-N 3.2Å; Y195-L198 CarbonylContact O-C 3.44Å; Y195-L198 WeakPolarHBondContact O-CA 3.19Å; Y195-L198 WeakPolarHBondContact O-CB 3.04Å; Y195-L198 PolarHBondContact O-N 3.18Å; Y195-L198 VanDerWaalsContact O-N 3.11Å; L196-L198 PolarHBondContact O-N 2.79Å |
| 199 | D | 60.9 | Low | 67.1 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -130.3 | 33.1 | -168.1 | -142.1 | -2.7 | 0 | 0 | 0 | 111.5 | Y195 L196 S201 K202 | Y195-D199 WeakPolarHBondContact O-CB 3.19Å; Y195-D199 PolarHBondContact O-N 3.46Å; L196-D199 CarbonylContact O-C 3.58Å; L196-D199 VanDerWaalsContact O-C 3.26Å; L196-D199 PolarHBondContact O-N 3.19Å; D199-S201 PolarHBondContact O-N 3.32Å; D199-K202 PolarHBondContact O-N 3.47Å; D199-K202 VanDerWaalsContact OD1-CD 3.28Å; D199-K202 WeakPolarHBondContact OD1-CD 3.25Å; D199-K202 WeakPolarHBondContact OD1-CE 3.45Å; D199-K202 WeakPolarHBondContact OD1-CG 3.03Å; D199-K202 IonicContact OD1-NZ 3.51Å; D199-K202 WeakPolarHBondContact OD2-CD 3.41Å; D199-K202 WeakPolarHBondContact OD2-CE 3.49Å; D199-K202 IonicContact OD2-NZ 2.6Å; D199-K202 PolarHBondContact OD2-NZ 2.81Å |
| 200 | E | 60.3 | Low | 68.4 | Low | 65 Ų | 65 | 94.8 Ų | 94.8 | 30% | 0.304 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -25.8 | -161.2 | -82.5 | -177 | 154.4 | 0 | 0 | 114.6 | L196 F197 G333 T334 | L196-E200 WeakPolarHBondContact O-CA 3.4Å; L196-E200 VanDerWaalsContact O-CG 3.31Å; L196-E200 WeakPolarHBondContact O-CG 2.98Å; L196-E200 PolarHBondContact O-N 3.28Å; F197-E200 WeakPolarHBondContact CD1-OE1 3.47Å; F197-E200 WeakPolarHBondContact CE1-OE1 3.43Å; F197-E200 WeakPolarHBondContact O-CG 3.43Å; E200-G333 CarbonylContact C-O 3.6Å; E200-G333 WeakPolarHBondContact CB-O 3.19Å; E200-G333 CarbonylContact O-C 3.56Å; E200-T334 HydrophobicContact CG-CG2 4.28Å; E200-T334 WeakPolarHBondContact OE1-CG2 3.48Å |
| 201 | S | 67.1 | Low | 69.6 | Low | 42 Ų | 42 | 91.5 Ų | 91.5 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.3 | -166.1 | 58.5 | 0 | 0 | 0 | 0 | 116.2 | D199 K205 | D199-S201 PolarHBondContact O-N 3.32Å; S201-K205 WeakPolarHBondContact O-CB 3.34Å; S201-K205 WeakPolarHBondContact O-CD 3.38Å; S201-K205 WeakPolarHBondContact O-CG 3.18Å; S201-K205 PolarHBondContact O-N 2.88Å; S201-K205 VanDerWaalsContact O-N 3.1Å; S201-K205 WeakPolarHBondContact OG-CE 3.32Å; S201-K205 PolarHBondContact OG-NZ 2.99Å |
| 202 | K | 71.7 | Confident | 71.1 | Confident | 106 Ų | 106 | 90.3 Ų | 90.3 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.5 | -52.3 | -173.6 | -86.7 | -171.7 | 172.1 | 164 | 0 | 113.9 | D199 K205 E206 E335 | D199-K202 PolarHBondContact O-N 3.47Å; D199-K202 VanDerWaalsContact OD1-CD 3.28Å; D199-K202 WeakPolarHBondContact OD1-CD 3.25Å; D199-K202 WeakPolarHBondContact OD1-CE 3.45Å; D199-K202 WeakPolarHBondContact OD1-CG 3.03Å; D199-K202 IonicContact OD1-NZ 3.51Å; D199-K202 WeakPolarHBondContact OD2-CD 3.41Å; D199-K202 WeakPolarHBondContact OD2-CE 3.49Å; D199-K202 IonicContact OD2-NZ 2.6Å; D199-K202 PolarHBondContact OD2-NZ 2.81Å; K202-K205 CarbonylContact O-C 3.59Å; K202-K205 WeakPolarHBondContact O-CB 3.33Å; K202-K205 PolarHBondContact O-N 3.26Å; K202-E206 WeakPolarHBondContact O-CB 3.48Å; K202-E206 VanDerWaalsContact O-CG 3.27Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 3.32Å; K202-E335 PolarHBondContact N-OE1 2.89Å |
| 203 | G | 75.5 | Confident | 72.7 | Confident | 14 Ų | 14 | 90.1 Ų | 90.1 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E206 N207 E335 | G203-E206 PolarHBondContact O-N 3.41Å; G203-N207 VanDerWaalsContact O-CB 3.28Å; G203-N207 WeakPolarHBondContact O-CB 3.36Å; G203-N207 PolarHBondContact O-N 2.83Å; G203-N207 PolarHBondContact O-ND2 3.05Å; G203-N207 VanDerWaalsContact O-ND2 3.14Å; G203-E335 WeakPolarHBondContact CA-OE1 3.49Å; G203-E335 PolarHBondContact N-OE1 3.44Å |
| 204 | V | 80.3 | Confident | 74.1 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | N207 F208 A332 | V204-N207 PolarHBondContact O-N 3.05Å; V204-F208 WeakPolarHBondContact O-CB 3.5Å; V204-F208 PolarHBondContact O-N 3.21Å; V204-A332 WeakPolarHBondContact CG2-O 3.08Å |
| 205 | K | 82.7 | Confident | 75.6 | Confident | 122 Ų | 122 | 90.6 Ų | 90.6 | 53% | 0.53 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.7 | -74.7 | 169.6 | 178.5 | 162.6 | 0 | 111.8 | S201 K202 F208 L209 | S201-K205 WeakPolarHBondContact O-CB 3.34Å; S201-K205 WeakPolarHBondContact O-CD 3.38Å; S201-K205 WeakPolarHBondContact O-CG 3.18Å; S201-K205 PolarHBondContact O-N 2.88Å; S201-K205 VanDerWaalsContact O-N 3.1Å; S201-K205 WeakPolarHBondContact OG-CE 3.32Å; S201-K205 PolarHBondContact OG-NZ 2.99Å; K202-K205 CarbonylContact O-C 3.59Å; K202-K205 WeakPolarHBondContact O-CB 3.33Å; K202-K205 PolarHBondContact O-N 3.26Å; K205-F208 PolarHBondContact O-N 3.13Å; K205-L209 VanDerWaalsContact O-CB 3.31Å; K205-L209 WeakPolarHBondContact O-CB 3.24Å; K205-L209 WeakPolarHBondContact O-CG 3.27Å; K205-L209 PolarHBondContact O-N 2.98Å |
| 206 | E | 83.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 90 Ų | 90 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 177.9 | -76 | 170.9 | -164.8 | 0 | 0 | 111.5 | K202 G203 F208 L209 G210 | K202-E206 WeakPolarHBondContact O-CB 3.48Å; K202-E206 VanDerWaalsContact O-CG 3.27Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 3.32Å; G203-E206 PolarHBondContact O-N 3.41Å; E206-F208 VanDerWaalsContact C-N 3.34Å; E206-F208 PolarHBondContact O-N 2.84Å; E206-L209 PolarHBondContact O-N 3.45Å; E206-G210 PolarHBondContact O-N 2.77Å |
| 207 | N | 84.7 | Confident | 79.1 | Confident | 122 Ų | 122 | 90.1 Ų | 90.1 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.2 | -43.8 | 174.8 | -74.5 | -28.9 | 0 | 0 | 0 | 111.4 | G203 V204 R211 | G203-N207 VanDerWaalsContact O-CB 3.28Å; G203-N207 WeakPolarHBondContact O-CB 3.36Å; G203-N207 PolarHBondContact O-N 2.83Å; G203-N207 PolarHBondContact O-ND2 3.05Å; G203-N207 VanDerWaalsContact O-ND2 3.14Å; V204-N207 PolarHBondContact O-N 3.05Å; N207-R211 WeakPolarHBondContact O-CB 3.34Å; N207-R211 PolarHBondContact O-N 2.98Å |
| 208 | F | 85.1 | Confident | 80.6 | Confident | 126 Ų | 126 | 85.5 Ų | 85.5 | 55% | 0.553 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.1 | -50.9 | 178.1 | -175.6 | -98.2 | 0 | 0 | 0 | 111.6 | V204 K205 E206 G210 R211 L212 | V204-F208 WeakPolarHBondContact O-CB 3.5Å; V204-F208 PolarHBondContact O-N 3.21Å; K205-F208 PolarHBondContact O-N 3.13Å; E206-F208 VanDerWaalsContact C-N 3.34Å; E206-F208 PolarHBondContact O-N 2.84Å; F208-G210 VanDerWaalsContact C-N 3.35Å; F208-G210 PolarHBondContact O-N 3.11Å; F208-R211 PolarHBondContact O-N 3.13Å; F208-L212 HydrophobicContact CE1-CD1 4.36Å; F208-L212 HydrophobicContact CE1-CD2 4.17Å; F208-L212 HydrophobicContact CZ-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CB 3.39Å; F208-L212 PolarHBondContact O-N 3.47Å |
| 209 | L | 88.6 | Confident | 82.1 | Confident | 117 Ų | 117 | 84 Ų | 84 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | -179.1 | -69.8 | 173.4 | 0 | 0 | 0 | 112.3 | K205 E206 P213 | K205-L209 VanDerWaalsContact O-CB 3.31Å; K205-L209 WeakPolarHBondContact O-CB 3.24Å; K205-L209 WeakPolarHBondContact O-CG 3.27Å; K205-L209 PolarHBondContact O-N 2.98Å; E206-L209 PolarHBondContact O-N 3.45Å; L209-P213 WeakPolarHBondContact O-CD 3.38Å |
| 210 | G | 85.7 | Confident | 83.4 | Confident | 45 Ų | 45 | 82 Ų | 82 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.3 | -33.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E206 F208 H214 | E206-G210 PolarHBondContact O-N 2.77Å; F208-G210 VanDerWaalsContact C-N 3.35Å; F208-G210 PolarHBondContact O-N 3.11Å; G210-H214 PolarHBondContact O-ND1 3.02Å |
| 211 | R | 87 | Confident | 84.6 | Confident | 69 Ų | 69 | 83.4 Ų | 83.4 | 26% | 0.26 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -82.3 | -35.9 | -179.4 | -172.2 | 57 | 175.8 | 171.2 | 3.6 | 113.3 | N207 F208 P213 H214 Y215 D218 G283 P285 | N207-R211 WeakPolarHBondContact O-CB 3.34Å; N207-R211 PolarHBondContact O-N 2.98Å; F208-R211 PolarHBondContact O-N 3.13Å; R211-P213 VanDerWaalsContact C-CD 3.44Å; R211-H214 PolarHBondContact O-N 2.92Å; R211-Y215 PolarHBondContact O-N 3.38Å; R211-D218 IonicContact CZ-OD1 3.21Å; R211-D218 IonicContact CZ-OD2 3.69Å; R211-D218 VanDerWaalsContact CZ-OD2 3.24Å; R211-D218 IonicContact NE-OD2 3.38Å; R211-D218 IonicContact NH1-OD1 2.91Å; R211-D218 IonicContact NH2-OD1 2.62Å; R211-D218 PolarHBondContact NH2-OD1 2.9Å; R211-D218 IonicContact NH2-OD2 3.43Å; R211-D218 PolarHBondContact NH2-OD2 3.19Å; R211-G283 PolarHBondContact NE-O 3.26Å; R211-P285 VanDerWaalsContact NH2-CD 3.28Å |
| 212 | L | 89.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -46.6 | -46.9 | -175.7 | -171.3 | 63.7 | 0 | 0 | 0 | 114.9 | F208 H214 Y215 | F208-L212 HydrophobicContact CE1-CD1 4.36Å; F208-L212 HydrophobicContact CE1-CD2 4.17Å; F208-L212 HydrophobicContact CZ-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CB 3.39Å; F208-L212 PolarHBondContact O-N 3.47Å; L212-H214 PolarHBondContact O-N 2.82Å; L212-Y215 WeakPolarHBondContact O-CB 3.39Å; L212-Y215 PolarHBondContact O-N 2.9Å |
| 213 | P | 90.3 | Very high | 86.1 | Confident | 93 Ų | 93 | 82.9 Ų | 82.9 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.1 | -24.5 | -178.8 | 24.2 | -33.8 | 0 | 0 | 0 | 113.9 | L209 R211 | L209-P213 WeakPolarHBondContact O-CD 3.38Å; R211-P213 VanDerWaalsContact C-CD 3.44Å |
| 214 | H | 88.2 | Confident | 86.6 | Confident | 102 Ų | 102 | 90.4 Ų | 90.4 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -93.9 | -9.1 | -178.7 | -55.3 | 96.7 | 0 | 0 | 0 | 112.9 | G210 R211 L212 L216 S217 D218 | G210-H214 PolarHBondContact O-ND1 3.02Å; R211-H214 PolarHBondContact O-N 2.92Å; L212-H214 PolarHBondContact O-N 2.82Å; H214-L216 PolarHBondContact O-N 3.31Å; H214-S217 WeakPolarHBondContact CA-OG 3.46Å; H214-S217 PolarHBondContact O-N 3.46Å; H214-S217 PolarHBondContact O-OG 3.04Å; H214-D218 PolarHBondContact O-N 3.22Å; H214-D218 VanDerWaalsContact O-N 3.14Å |
| 215 | Y | 88.9 | Confident | 86.9 | Confident | 49 Ų | 49 | 89.6 Ų | 89.6 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | -172.1 | -159.7 | -105 | 0 | 0 | 0 | 112.6 | R211 L212 D218 Y219 V280 G282 | R211-Y215 PolarHBondContact O-N 3.38Å; L212-Y215 WeakPolarHBondContact O-CB 3.39Å; L212-Y215 PolarHBondContact O-N 2.9Å; Y215-D218 PolarHBondContact O-N 2.95Å; Y215-Y219 HydrophobicContact CD1-CE2 4.11Å; Y215-Y219 AromaticContact CE1-CE2 3.73Å; Y215-Y219 HydrophobicContact CE1-CE2 3.73Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.3Å; Y215-Y219 PolarHBondContact OH-OH 2.78Å; Y215-V280 PolarHBondContact OH-O 2.82Å; Y215-G282 WeakPolarHBondContact CE2-O 3.41Å; Y215-G282 PolarHBondContact OH-O 2.95Å |
| 216 | L | 87.7 | Confident | 87 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.3 | -32.5 | 178.5 | -63 | -179.9 | 0 | 0 | 0 | 112.2 | H214 D218 Y219 A220 | H214-L216 PolarHBondContact O-N 3.31Å; L216-D218 VanDerWaalsContact C-N 3.29Å; L216-D218 PolarHBondContact O-N 2.86Å; L216-Y219 PolarHBondContact O-N 3.45Å; L216-A220 PolarHBondContact O-N 3.18Å |
| 217 | S | 90.5 | Very high | 87.2 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -31.4 | 176.6 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | H214 Y219 A220 D221 | H214-S217 WeakPolarHBondContact CA-OG 3.46Å; H214-S217 PolarHBondContact O-N 3.46Å; H214-S217 PolarHBondContact O-OG 3.04Å; S217-Y219 VanDerWaalsContact C-N 3.26Å; S217-Y219 PolarHBondContact O-N 3Å; S217-A220 PolarHBondContact O-N 2.81Å; S217-A220 VanDerWaalsContact O-N 3.16Å; S217-D221 VanDerWaalsContact O-CB 3.22Å; S217-D221 WeakPolarHBondContact O-CB 3.42Å; S217-D221 PolarHBondContact O-N 3Å |
| 218 | D | 88.4 | Confident | 87.4 | Confident | 54 Ų | 54 | 86.2 Ų | 86.2 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.2 | -39.8 | 178.3 | -63.9 | -44.4 | 0 | 0 | 0 | 112.7 | R211 H214 Y215 L216 | R211-D218 IonicContact CZ-OD1 3.21Å; R211-D218 IonicContact CZ-OD2 3.69Å; R211-D218 VanDerWaalsContact CZ-OD2 3.24Å; R211-D218 IonicContact NE-OD2 3.38Å; R211-D218 IonicContact NH1-OD1 2.91Å; R211-D218 IonicContact NH2-OD1 2.62Å; R211-D218 PolarHBondContact NH2-OD1 2.9Å; R211-D218 IonicContact NH2-OD2 3.43Å; R211-D218 PolarHBondContact NH2-OD2 3.19Å; H214-D218 PolarHBondContact O-N 3.22Å; H214-D218 VanDerWaalsContact O-N 3.14Å; Y215-D218 PolarHBondContact O-N 2.95Å; L216-D218 VanDerWaalsContact C-N 3.29Å; L216-D218 PolarHBondContact O-N 2.86Å |
| 219 | Y | 87.3 | Confident | 87.6 | Confident | 111 Ų | 111 | 86.1 Ų | 86.1 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.7 | -40.2 | 176.3 | -60.2 | -81.9 | 0 | 0 | 0 | 112.3 | Y215 L216 S217 D221 G222 S279 | Y215-Y219 HydrophobicContact CD1-CE2 4.11Å; Y215-Y219 AromaticContact CE1-CE2 3.73Å; Y215-Y219 HydrophobicContact CE1-CE2 3.73Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.3Å; Y215-Y219 PolarHBondContact OH-OH 2.78Å; L216-Y219 PolarHBondContact O-N 3.45Å; S217-Y219 VanDerWaalsContact C-N 3.26Å; S217-Y219 PolarHBondContact O-N 3Å; Y219-D221 VanDerWaalsContact C-N 3.35Å; Y219-G222 PolarHBondContact O-N 2.92Å; Y219-S279 PolarHBondContact OH-O 2.69Å |
| 220 | A | 88.6 | Confident | 87.8 | Confident | 19 Ų | 19 | 87.1 Ų | 87.1 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L216 S217 G222 I223 R224 | L216-A220 PolarHBondContact O-N 3.18Å; S217-A220 PolarHBondContact O-N 2.81Å; S217-A220 VanDerWaalsContact O-N 3.16Å; A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 2.61Å; A220-I223 WeakPolarHBondContact O-CG1 3.45Å; A220-I223 PolarHBondContact O-N 3.41Å; A220-R224 WeakPolarHBondContact O-CB 3.14Å; A220-R224 WeakPolarHBondContact O-CD 3.5Å; A220-R224 WeakPolarHBondContact O-CG 3.27Å; A220-R224 PolarHBondContact O-N 3.35Å; A220-R224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 85.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 91.5 Ų | 91.5 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.2 | -23.9 | -179.7 | -66.4 | -13.1 | 0 | 0 | 0 | 111.8 | S217 Y219 I223 T228 | S217-D221 VanDerWaalsContact O-CB 3.22Å; S217-D221 WeakPolarHBondContact O-CB 3.42Å; S217-D221 PolarHBondContact O-N 3Å; Y219-D221 VanDerWaalsContact C-N 3.35Å; D221-I223 PolarHBondContact O-N 3.47Å; D221-T228 WeakPolarHBondContact O-CG2 3.44Å |
| 222 | G | 82.9 | Confident | 88.3 | Confident | 23 Ų | 23 | 92 Ų | 92 | 24% | 0.237 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y219 A220 T228 | Y219-G222 PolarHBondContact O-N 2.92Å; A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 2.61Å; G222-T228 WeakPolarHBondContact O-CG2 3.19Å |
| 223 | I | 86.4 | Confident | 88.5 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 59% | 0.585 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -10.5 | 179.2 | 60 | 171.3 | 0 | 0 | 0 | 113.6 | A220 D221 | A220-I223 WeakPolarHBondContact O-CG1 3.45Å; A220-I223 PolarHBondContact O-N 3.41Å; D221-I223 PolarHBondContact O-N 3.47Å |
| 224 | R | 86.3 | Confident | 88.7 | Confident | 172 Ų | 172 | 92.3 Ų | 92.3 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | trans | -96.9 | 136.3 | -178.5 | -72.2 | 171.4 | -176.6 | 174 | 1.6 | 111.2 | A220 T228 | A220-R224 WeakPolarHBondContact O-CB 3.14Å; A220-R224 WeakPolarHBondContact O-CD 3.5Å; A220-R224 WeakPolarHBondContact O-CG 3.27Å; A220-R224 PolarHBondContact O-N 3.35Å; A220-R224 VanDerWaalsContact O-N 3.12Å; R224-T228 WeakPolarHBondContact O-CB 3.16Å; R224-T228 PolarHBondContact O-OG1 3.33Å | ||
| 225 | G | 86 | Confident | 88.9 | Confident | 51 Ų | 51 | 90.9 Ų | 90.9 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 114 | 164.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K227 T228 | G225-K227 PolarHBondContact O-N 3.11Å; G225-T228 VanDerWaalsContact C-OG1 3.3Å; G225-T228 WeakPolarHBondContact CA-OG1 3.49Å; G225-T228 PolarHBondContact O-N 3.23Å; G225-T228 PolarHBondContact O-OG1 2.92Å |
| 226 | P | 85.6 | Confident | 89.1 | Confident | 120 Ų | 120 | 92.4 Ų | 92.4 | 78% | 0.779 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 129.5 | -179 | 28.2 | -33.3 | 0 | 0 | 0 | 110.6 | T228 | P226-T228 PolarHBondContact O-N 3.08Š|
| 227 | K | 87.7 | Confident | 89.5 | Confident | 153 Ų | 153 | 89.1 Ų | 89.1 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 8.6 | -178.2 | -50.2 | -178.5 | 179.6 | 178.8 | 0 | 115.3 | G225 I229 Q230 K231 | G225-K227 PolarHBondContact O-N 3.11Å; K227-I229 PolarHBondContact O-N 2.96Å; K227-Q230 PolarHBondContact O-N 3.17Å; K227-K231 WeakPolarHBondContact O-CG 3.49Å; K227-K231 PolarHBondContact O-N 2.96Å; K227-K231 VanDerWaalsContact O-N 3.11Å |
| 228 | T | 88.8 | Confident | 89.8 | Confident | 26 Ų | 26 | 94 Ų | 94 | 16% | 0.16 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | D221 G222 R224 G225 P226 Q230 K231 L232 | D221-T228 WeakPolarHBondContact O-CG2 3.44Å; G222-T228 WeakPolarHBondContact O-CG2 3.19Å; R224-T228 WeakPolarHBondContact O-CB 3.16Å; R224-T228 PolarHBondContact O-OG1 3.33Å; G225-T228 VanDerWaalsContact C-OG1 3.3Å; G225-T228 WeakPolarHBondContact CA-OG1 3.49Å; G225-T228 PolarHBondContact O-N 3.23Å; G225-T228 PolarHBondContact O-OG1 2.92Å; P226-T228 PolarHBondContact O-N 3.08Å; T228-Q230 VanDerWaalsContact C-N 3.3Å; T228-Q230 PolarHBondContact O-N 3.47Å; T228-K231 WeakPolarHBondContact O-CB 3.46Å; T228-K231 PolarHBondContact O-N 2.88Å; T228-K231 VanDerWaalsContact O-N 3.13Å; T228-L232 WeakPolarHBondContact O-CB 3.32Å; T228-L232 PolarHBondContact O-N 3.16Å |
| 229 | I | 89.7 | Confident | 90 | Very high | 124 Ų | 124 | 94.5 Ų | 94.5 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -40.3 | 178.1 | -59.7 | 174.2 | 0 | 0 | 0 | 111.7 | K227 L232 L233 | K227-I229 PolarHBondContact O-N 2.96Å; I229-L232 PolarHBondContact O-N 3.45Å; I229-L233 WeakPolarHBondContact O-CB 3.28Å; I229-L233 PolarHBondContact O-N 3.21Å |
| 230 | Q | 91.8 | Very high | 90.4 | Very high | 137 Ų | 137 | 95.7 Ų | 95.7 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 177 | -176.1 | -174.7 | 0.5 | 0 | 0 | 111.4 | K227 T228 S234 | K227-Q230 PolarHBondContact O-N 3.17Å; T228-Q230 VanDerWaalsContact C-N 3.3Å; T228-Q230 PolarHBondContact O-N 3.47Å; Q230-S234 WeakPolarHBondContact O-CB 3.48Å; Q230-S234 PolarHBondContact O-N 2.67Å |
| 231 | K | 92.2 | Very high | 90.7 | Very high | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -47.6 | 175.7 | -68.2 | 175.7 | -179 | 178.1 | 0 | 110.7 | K227 T228 L233 S234 T235 | K227-K231 WeakPolarHBondContact O-CG 3.49Å; K227-K231 PolarHBondContact O-N 2.96Å; K227-K231 VanDerWaalsContact O-N 3.11Å; T228-K231 WeakPolarHBondContact O-CB 3.46Å; T228-K231 PolarHBondContact O-N 2.88Å; T228-K231 VanDerWaalsContact O-N 3.13Å; K231-L233 PolarHBondContact O-N 2.93Å; K231-S234 PolarHBondContact O-N 3.44Å; K231-T235 WeakPolarHBondContact O-CB 3.37Å; K231-T235 PolarHBondContact O-N 3.05Å; K231-T235 PolarHBondContact O-OG1 3.32Å; K231-T235 VanDerWaalsContact O-OG1 3.05Å |
| 232 | L | 92 | Very high | 91.1 | Very high | 78 Ų | 78 | 97.5 Ų | 97.5 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.3 | -51.7 | 177.3 | -179.8 | 68.8 | 0 | 0 | 0 | 110.9 | T228 I229 S234 T235 V236 | T228-L232 WeakPolarHBondContact O-CB 3.32Å; T228-L232 PolarHBondContact O-N 3.16Å; I229-L232 PolarHBondContact O-N 3.45Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 2.79Å; L232-T235 PolarHBondContact O-N 3.49Å; L232-V236 HydrophobicContact CD1-CG2 4.38Å; L232-V236 HydrophobicContact CG-CG2 4.43Å; L232-V236 WeakPolarHBondContact O-CB 3.49Å; L232-V236 VanDerWaalsContact O-CG2 3.27Å; L232-V236 WeakPolarHBondContact O-CG2 3.31Å; L232-V236 PolarHBondContact O-N 3.02Å |
| 233 | L | 92.9 | Very high | 91.7 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 179.4 | -176.1 | 64.7 | 0 | 0 | 0 | 111.7 | I229 K231 T235 V236 V237 | I229-L233 WeakPolarHBondContact O-CB 3.28Å; I229-L233 PolarHBondContact O-N 3.21Å; K231-L233 PolarHBondContact O-N 2.93Å; L233-T235 PolarHBondContact O-N 2.84Å; L233-V236 PolarHBondContact O-N 3.28Å; L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 3.3Å |
| 234 | S | 95.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 93.8 Ų | 93.8 | 56% | 0.559 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 176 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | Q230 K231 L232 F238 | Q230-S234 WeakPolarHBondContact O-CB 3.48Å; Q230-S234 PolarHBondContact O-N 2.67Å; K231-S234 PolarHBondContact O-N 3.44Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 2.79Å; S234-F238 WeakPolarHBondContact O-CB 3.39Å; S234-F238 PolarHBondContact O-N 3.43Å |
| 235 | T | 92.8 | Very high | 92.5 | Very high | 72 Ų | 72 | 91 Ų | 91 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | K231 L232 L233 F238 L239 | K231-T235 WeakPolarHBondContact O-CB 3.37Å; K231-T235 PolarHBondContact O-N 3.05Å; K231-T235 PolarHBondContact O-OG1 3.32Å; K231-T235 VanDerWaalsContact O-OG1 3.05Å; L232-T235 PolarHBondContact O-N 3.49Å; L233-T235 PolarHBondContact O-N 2.84Å; T235-F238 PolarHBondContact O-N 3.29Å; T235-L239 HydrophobicContact CG2-CD1 3.85Å; T235-L239 HydrophobicContact CG2-CG 4.23Å; T235-L239 WeakPolarHBondContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CG 3.06Å; T235-L239 PolarHBondContact O-N 3.38Å |
| 236 | V | 93.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 90.4 Ų | 90.4 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 177 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | L232 L233 F238 L239 Y240 | L232-V236 HydrophobicContact CD1-CG2 4.38Å; L232-V236 HydrophobicContact CG-CG2 4.43Å; L232-V236 WeakPolarHBondContact O-CB 3.49Å; L232-V236 VanDerWaalsContact O-CG2 3.27Å; L232-V236 WeakPolarHBondContact O-CG2 3.31Å; L232-V236 PolarHBondContact O-N 3.02Å; L233-V236 PolarHBondContact O-N 3.28Å; V236-F238 VanDerWaalsContact C-N 3.34Å; V236-F238 PolarHBondContact O-N 3.37Å; V236-L239 PolarHBondContact O-N 3.31Å; V236-Y240 VanDerWaalsContact O-CB 3.28Å; V236-Y240 WeakPolarHBondContact O-CB 3.39Å; V236-Y240 PolarHBondContact O-N 3.08Å |
| 237 | V | 96.1 | Very high | 93.3 | Very high | 72 Ų | 72 | 85 Ų | 85 | 44% | 0.436 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L233 Y240 F241 | L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 3.3Å; V237-Y240 PolarHBondContact O-N 3.35Å; V237-F241 HydrophobicContact CG1-CD2 4.15Å; V237-F241 HydrophobicContact CG1-CE2 3.93Å; V237-F241 VanDerWaalsContact O-CD2 3.27Å; V237-F241 WeakPolarHBondContact O-CD2 3.42Å; V237-F241 PolarHBondContact O-N 2.84Å |
| 238 | F | 95.3 | Very high | 93.8 | Very high | 142 Ų | 142 | 80.7 Ų | 80.7 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.7 | -51.5 | 175.7 | 171.6 | -101.2 | 0 | 0 | 0 | 112.1 | S234 T235 V236 Y240 F241 A242 | S234-F238 WeakPolarHBondContact O-CB 3.39Å; S234-F238 PolarHBondContact O-N 3.43Å; T235-F238 PolarHBondContact O-N 3.29Å; V236-F238 VanDerWaalsContact C-N 3.34Å; V236-F238 PolarHBondContact O-N 3.37Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 2.91Å; F238-F241 PolarHBondContact O-N 3.22Å; F238-A242 VanDerWaalsContact O-CB 3.31Å; F238-A242 WeakPolarHBondContact O-CB 3.4Å; F238-A242 PolarHBondContact O-N 3.33Å |
| 239 | L | 93.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 82.3 Ų | 82.3 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | -179.8 | -76.6 | 176.9 | 0 | 0 | 0 | 112.2 | T235 V236 A242 C243 V288 | T235-L239 HydrophobicContact CG2-CD1 3.85Å; T235-L239 HydrophobicContact CG2-CG 4.23Å; T235-L239 WeakPolarHBondContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CG 3.06Å; T235-L239 PolarHBondContact O-N 3.38Å; V236-L239 PolarHBondContact O-N 3.31Å; L239-A242 PolarHBondContact O-N 2.91Å; L239-C243 WeakPolarHBondContact O-CB 3.29Å; L239-C243 PolarHBondContact O-N 3.38Å; L239-C243 PolarHBondContact O-SG 3.02Å; L239-V288 HydrophobicContact CD2-CG2 3.88Å |
| 240 | Y | 94.8 | Very high | 94.4 | Very high | 136 Ų | 136 | 78.2 Ų | 78.2 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.4 | -54 | 174.6 | 176.6 | -101 | 0 | 0 | 0 | 111.1 | V236 V237 F238 C243 L244 | V236-Y240 VanDerWaalsContact O-CB 3.28Å; V236-Y240 WeakPolarHBondContact O-CB 3.39Å; V236-Y240 PolarHBondContact O-N 3.08Å; V237-Y240 PolarHBondContact O-N 3.35Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 2.91Å; Y240-C243 PolarHBondContact O-N 3.49Å; Y240-L244 HydrophobicContact CE1-CD2 3.73Å; Y240-L244 HydrophobicContact CE2-CD2 4.41Å; Y240-L244 WeakPolarHBondContact O-CB 3.39Å; Y240-L244 PolarHBondContact O-N 2.82Å |
| 241 | F | 95.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 71.7 Ų | 71.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 178.4 | -70.7 | -68.7 | 0 | 0 | 0 | 112.9 | V237 F238 C243 L245 | V237-F241 HydrophobicContact CG1-CD2 4.15Å; V237-F241 HydrophobicContact CG1-CE2 3.93Å; V237-F241 VanDerWaalsContact O-CD2 3.27Å; V237-F241 WeakPolarHBondContact O-CD2 3.42Å; V237-F241 PolarHBondContact O-N 2.84Å; F238-F241 PolarHBondContact O-N 3.22Å; F241-C243 VanDerWaalsContact C-N 3.28Å; F241-C243 PolarHBondContact O-N 2.9Å; F241-L245 PolarHBondContact O-N 2.91Å |
| 242 | A | 94.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F238 L239 P246 | F238-A242 VanDerWaalsContact O-CB 3.31Å; F238-A242 WeakPolarHBondContact O-CB 3.4Å; F238-A242 PolarHBondContact O-N 3.33Å; L239-A242 PolarHBondContact O-N 2.91Å; A242-P246 WeakPolarHBondContact O-CD 3.25Å; A242-P246 VanDerWaalsContact O-CG 3.25Å; A242-P246 WeakPolarHBondContact O-CG 3.28Å |
| 243 | C | 94.4 | Very high | 95 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -90 | -36.1 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | L239 Y240 F241 S247 V288 L290 | L239-C243 WeakPolarHBondContact O-CB 3.29Å; L239-C243 PolarHBondContact O-N 3.38Å; L239-C243 PolarHBondContact O-SG 3.02Å; Y240-C243 PolarHBondContact O-N 3.49Å; F241-C243 VanDerWaalsContact C-N 3.28Å; F241-C243 PolarHBondContact O-N 2.9Å; C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.37Å; C243-S247 PolarHBondContact O-N 3.2Å; C243-S247 PolarHBondContact O-OG 3.43Å; C243-V288 VanDerWaalsContact SG-CG1 3.51Å; C243-L290 HydrophobicContact CB-CD1 3.82Å |
| 244 | L | 95.2 | Very high | 95.1 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -48.1 | -175.8 | -179.6 | 65.3 | 0 | 0 | 0 | 112.3 | Y240 S247 I248 I268 | Y240-L244 HydrophobicContact CE1-CD2 3.73Å; Y240-L244 HydrophobicContact CE2-CD2 4.41Å; Y240-L244 WeakPolarHBondContact O-CB 3.39Å; Y240-L244 PolarHBondContact O-N 2.82Å; L244-S247 WeakPolarHBondContact O-CB 3.34Å; L244-S247 PolarHBondContact O-N 2.79Å; L244-I248 HydrophobicContact CD1-CD1 4.03Å; L244-I248 HydrophobicContact CD1-CG1 4.3Å; L244-I248 HydrophobicContact CG-CD1 3.89Å; L244-I248 WeakPolarHBondContact O-CG1 3.34Å; L244-I248 PolarHBondContact O-N 3.11Å; L244-I268 HydrophobicContact CD1-CD1 4.04Å; L244-I268 HydrophobicContact CD1-CG1 4.31Å |
| 245 | L | 95.7 | Very high | 95.2 | Very high | 113 Ų | 113 | 62.8 Ų | 62.8 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.7 | -47.4 | -174.7 | -64.6 | 174 | 0 | 0 | 0 | 112.5 | F241 S247 I248 A249 | F241-L245 PolarHBondContact O-N 2.91Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 3.23Å; L245-I248 PolarHBondContact O-N 3.04Å; L245-A249 PolarHBondContact O-N 3.28Å |
| 246 | P | 93.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 25% | 0.253 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 174.5 | -23.7 | 37.7 | 0 | 0 | 0 | 112.7 | A242 I248 A249 F250 L290 | A242-P246 WeakPolarHBondContact O-CD 3.25Å; A242-P246 VanDerWaalsContact O-CG 3.25Å; A242-P246 WeakPolarHBondContact O-CG 3.28Å; P246-I248 VanDerWaalsContact C-N 3.3Å; P246-I248 PolarHBondContact O-N 3.37Å; P246-A249 PolarHBondContact O-N 3.46Å; P246-F250 HydrophobicContact CB-CD2 4.28Å; P246-F250 HydrophobicContact CB-CE2 4.31Å; P246-F250 WeakPolarHBondContact O-CB 3.44Å; P246-F250 WeakPolarHBondContact O-CD2 3.47Å; P246-F250 PolarHBondContact O-N 3.41Å; P246-L290 HydrophobicContact CB-CD2 3.69Å; P246-L290 HydrophobicContact CB-CG 4.41Å; P246-L290 HydrophobicContact CG-CD2 3.88Å |
| 247 | S | 94.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 176.9 | -61 | 0 | 0 | 0 | 0 | 112.4 | C243 L244 L245 G251 Q271 | C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.37Å; C243-S247 PolarHBondContact O-N 3.2Å; C243-S247 PolarHBondContact O-OG 3.43Å; L244-S247 WeakPolarHBondContact O-CB 3.34Å; L244-S247 PolarHBondContact O-N 2.79Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 3.23Å; S247-G251 WeakPolarHBondContact O-CA 3.3Å; S247-G251 PolarHBondContact O-N 2.82Å; S247-Q271 WeakPolarHBondContact OG-CG 3.49Å |
| 248 | I | 96.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 33% | 0.328 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67 | -49.5 | 172.7 | -66.5 | 166.3 | 0 | 0 | 0 | 110.1 | L244 L245 P246 F250 G251 V252 V264 I268 | L244-I248 HydrophobicContact CD1-CD1 4.03Å; L244-I248 HydrophobicContact CD1-CG1 4.3Å; L244-I248 HydrophobicContact CG-CD1 3.89Å; L244-I248 WeakPolarHBondContact O-CG1 3.34Å; L244-I248 PolarHBondContact O-N 3.11Å; L245-I248 PolarHBondContact O-N 3.04Å; P246-I248 VanDerWaalsContact C-N 3.3Å; P246-I248 PolarHBondContact O-N 3.37Å; I248-F250 PolarHBondContact O-N 2.82Å; I248-G251 WeakPolarHBondContact O-CA 3.29Å; I248-G251 PolarHBondContact O-N 2.88Å; I248-G251 VanDerWaalsContact O-N 3.13Å; I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 3.49Å; I248-V264 HydrophobicContact CB-CG1 4.37Å; I248-V264 HydrophobicContact CG1-CG1 4.04Å; I248-V264 HydrophobicContact CG2-CG1 4.28Å; I248-I268 HydrophobicContact CG1-CD1 4.11Å |
| 249 | A | 96.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L245 P246 G251 V252 L253 | L245-A249 PolarHBondContact O-N 3.28Å; P246-A249 PolarHBondContact O-N 3.46Å; A249-G251 VanDerWaalsContact C-N 3.33Å; A249-V252 PolarHBondContact O-N 3.38Å; A249-L253 PolarHBondContact O-N 2.92Å |
| 250 | F | 95.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 57 Ų | 57 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.1 | -28.9 | 175.8 | -71.4 | -59.9 | 0 | 0 | 0 | 112.8 | P246 I248 L253 N254 T291 V293 | P246-F250 HydrophobicContact CB-CD2 4.28Å; P246-F250 HydrophobicContact CB-CE2 4.31Å; P246-F250 WeakPolarHBondContact O-CB 3.44Å; P246-F250 WeakPolarHBondContact O-CD2 3.47Å; P246-F250 PolarHBondContact O-N 3.41Å; I248-F250 PolarHBondContact O-N 2.82Å; F250-L253 HydrophobicContact CD1-CD2 4.05Å; F250-L253 HydrophobicContact CE1-CD2 4.37Å; F250-L253 PolarHBondContact O-N 3.08Å; F250-N254 VanDerWaalsContact O-CB 3.26Å; F250-N254 WeakPolarHBondContact O-CB 3.07Å; F250-N254 PolarHBondContact O-N 2.79Å; F250-N254 PolarHBondContact O-ND2 2.93Å; F250-N254 VanDerWaalsContact O-ND2 3.14Å; F250-T291 HydrophobicContact CB-CG2 4.01Å; F250-T291 VanDerWaalsContact CD2-O 3.29Å; F250-T291 WeakPolarHBondContact CD2-O 3.07Å; F250-T291 WeakPolarHBondContact CE2-O 3.35Å; F250-T291 HydrophobicContact CG-CG2 4.18Å; F250-V293 HydrophobicContact CE1-CB 4.33Å; F250-V293 HydrophobicContact CE1-CG2 3.62Å; F250-V293 HydrophobicContact CZ-CG2 3.74Å |
| 251 | G | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S247 I248 A249 H255 G263 S267 | S247-G251 WeakPolarHBondContact O-CA 3.3Å; S247-G251 PolarHBondContact O-N 2.82Å; I248-G251 WeakPolarHBondContact O-CA 3.29Å; I248-G251 PolarHBondContact O-N 2.88Å; I248-G251 VanDerWaalsContact O-N 3.13Å; A249-G251 VanDerWaalsContact C-N 3.33Å; G251-H255 WeakPolarHBondContact O-CB 3.39Å; G251-H255 PolarHBondContact O-N 2.97Å; G251-G263 CarbonylContact O-C 3.53Å; G251-S267 WeakPolarHBondContact CA-OG 3.37Å |
| 252 | V | 97.2 | Very high | 94.7 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 172 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | I248 A249 N254 H255 D256 V264 | I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 3.49Å; A249-V252 PolarHBondContact O-N 3.38Å; V252-N254 VanDerWaalsContact C-N 3.26Å; V252-N254 PolarHBondContact O-N 3.4Å; V252-H255 WeakPolarHBondContact O-CA 3.34Å; V252-H255 VanDerWaalsContact O-CB 3.23Å; V252-H255 WeakPolarHBondContact O-CB 3.5Å; V252-H255 PolarHBondContact O-N 2.83Å; V252-D256 PolarHBondContact O-N 3.29Å; V252-V264 HydrophobicContact CG2-CG2 3.6Å |
| 253 | L | 96 | Very high | 94.6 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 177.2 | -179.6 | 61.7 | 0 | 0 | 0 | 112.2 | A249 F250 D256 N257 | A249-L253 PolarHBondContact O-N 2.92Å; F250-L253 HydrophobicContact CD1-CD2 4.05Å; F250-L253 HydrophobicContact CE1-CD2 4.37Å; F250-L253 PolarHBondContact O-N 3.08Å; L253-D256 PolarHBondContact O-N 3.43Å; L253-N257 WeakPolarHBondContact O-CB 3.41Å; L253-N257 PolarHBondContact O-N 3.33Å; L253-N257 PolarHBondContact O-ND2 3.38Å |
| 254 | N | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 177 | -73.2 | -26.2 | 0 | 0 | 0 | 112.3 | F250 V252 D256 N257 T258 M262 S296 | F250-N254 VanDerWaalsContact O-CB 3.26Å; F250-N254 WeakPolarHBondContact O-CB 3.07Å; F250-N254 PolarHBondContact O-N 2.79Å; F250-N254 PolarHBondContact O-ND2 2.93Å; F250-N254 VanDerWaalsContact O-ND2 3.14Å; V252-N254 VanDerWaalsContact C-N 3.26Å; V252-N254 PolarHBondContact O-N 3.4Å; N254-D256 VanDerWaalsContact C-N 3.33Å; N254-N257 PolarHBondContact O-N 3.43Å; N254-T258 WeakPolarHBondContact O-CB 3.49Å; N254-T258 WeakPolarHBondContact O-CG2 3.13Å; N254-T258 PolarHBondContact O-N 2.85Å; N254-T258 PolarHBondContact O-OG1 3.36Å; N254-M262 CarbonylContact C-O 3.56Å; N254-M262 HydrophobicContact CB-CE 3.59Å; N254-M262 VanDerWaalsContact CG-CE 3.48Å; N254-M262 WeakPolarHBondContact ND2-CE 3.31Å; N254-S296 WeakPolarHBondContact OD1-CA 3.34Å; N254-S296 VanDerWaalsContact OD1-CB 3.25Å; N254-S296 WeakPolarHBondContact OD1-CB 3.09Å; N254-S296 PolarHBondContact OD1-OG 3.25Å |
| 255 | H | 96.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 40% | 0.398 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 173.2 | -173.3 | 79.7 | 0 | 0 | 0 | 110.3 | G251 V252 T258 E259 G260 M262 | G251-H255 WeakPolarHBondContact O-CB 3.39Å; G251-H255 PolarHBondContact O-N 2.97Å; V252-H255 WeakPolarHBondContact O-CA 3.34Å; V252-H255 VanDerWaalsContact O-CB 3.23Å; V252-H255 WeakPolarHBondContact O-CB 3.5Å; V252-H255 PolarHBondContact O-N 2.83Å; H255-T258 CarbonylContact O-C 3.6Å; H255-T258 PolarHBondContact O-N 3.26Å; H255-E259 PolarHBondContact O-N 2.89Å; H255-E259 VanDerWaalsContact O-N 3.12Å; H255-G260 WeakPolarHBondContact CE1-CA 3.41Å; H255-G260 WeakPolarHBondContact ND1-CA 3.23Å; H255-G260 PolarHBondContact O-N 3.47Å; H255-M262 WeakPolarHBondContact CA-O 3.35Å; H255-M262 PolarHBondContact N-O 3.26Å |
| 256 | D | 95.8 | Very high | 94.5 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.3 | -41.6 | 178.3 | -61.5 | -18.3 | 0 | 0 | 0 | 111.5 | V252 L253 N254 T258 | V252-D256 PolarHBondContact O-N 3.29Å; L253-D256 PolarHBondContact O-N 3.43Å; N254-D256 VanDerWaalsContact C-N 3.33Å; D256-T258 PolarHBondContact O-N 2.94Å |
| 257 | N | 94.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -22.2 | 179.2 | -76.2 | -23.4 | 0 | 0 | 0 | 114.1 | L253 N254 K300 Y303 | L253-N257 WeakPolarHBondContact O-CB 3.41Å; L253-N257 PolarHBondContact O-N 3.33Å; L253-N257 PolarHBondContact O-ND2 3.38Å; N254-N257 PolarHBondContact O-N 3.43Å; N257-K300 HydrophobicContact CB-CB 3.89Å; N257-K300 HydrophobicContact CB-CD 4.4Å; N257-K300 HydrophobicContact CB-CG 4.01Å; N257-K300 WeakPolarHBondContact OD1-CD 3.2Å; N257-Y303 WeakPolarHBondContact O-CD1 3.49Å |
| 258 | T | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 20.5 | -176 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | N254 H255 D256 G260 H261 M262 V299 Y303 F313 | N254-T258 WeakPolarHBondContact O-CB 3.49Å; N254-T258 WeakPolarHBondContact O-CG2 3.13Å; N254-T258 PolarHBondContact O-N 2.85Å; N254-T258 PolarHBondContact O-OG1 3.36Å; H255-T258 CarbonylContact O-C 3.6Å; H255-T258 PolarHBondContact O-N 3.26Å; D256-T258 PolarHBondContact O-N 2.94Å; T258-G260 PolarHBondContact O-N 3.42Å; T258-H261 WeakPolarHBondContact O-CB 3.17Å; T258-H261 PolarHBondContact O-CD2 2.97Å; T258-H261 PolarHBondContact O-N 2.86Å; T258-M262 HydrophobicContact CG2-CB 4.33Å; T258-M262 PolarHBondContact OG1-N 3.09Å; T258-V299 HydrophobicContact CG2-CG1 3.63Å; T258-Y303 HydrophobicContact CG2-CD2 4.46Å; T258-Y303 HydrophobicContact CG2-CG 4.23Å; T258-F313 HydrophobicContact CG2-CE1 4.34Å; T258-F313 HydrophobicContact CG2-CE2 4.44Å; T258-F313 HydrophobicContact CG2-CZ 3.88Å |
| 259 | E | 92.9 | Very high | 94.4 | Very high | 142 Ų | 142 | 59.4 Ų | 59.4 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 35.4 | 177.3 | -60.8 | 173.5 | 176.1 | 0 | 0 | 113.6 | H255 Y303 | H255-E259 PolarHBondContact O-N 2.89Å; H255-E259 VanDerWaalsContact O-N 3.12Å; E259-Y303 HydrophobicContact CB-CE1 4.28Å; E259-Y303 HydrophobicContact CG-CE1 3.9Å; E259-Y303 PolarHBondContact OE2-OH 2.8Å |
| 260 | G | 92.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -5.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | H255 T258 | H255-G260 WeakPolarHBondContact CE1-CA 3.41Å; H255-G260 WeakPolarHBondContact ND1-CA 3.23Å; H255-G260 PolarHBondContact O-N 3.47Å; T258-G260 PolarHBondContact O-N 3.42Å |
| 261 | H | 90.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -64.4 | -46 | 178.8 | -75.8 | -87.4 | 0 | 0 | 0 | 112.5 | T258 Q266 Y303 F313 F314 | T258-H261 WeakPolarHBondContact O-CB 3.17Å; T258-H261 PolarHBondContact O-CD2 2.97Å; T258-H261 PolarHBondContact O-N 2.86Å; H261-Q266 PolarHBondContact O-NE2 2.76Å; H261-Y303 AromaticContact CD2-CE2 3.5Å; H261-Y303 VanDerWaalsContact CD2-CE2 3.5Å; H261-Y303 WeakPolarHBondContact CD2-CE2 3.22Å; H261-Y303 AromaticContact CD2-CZ 3.91Å; H261-F313 HydrophobicContact CB-CD1 4.03Å; H261-F313 HydrophobicContact CB-CE1 4.26Å; H261-F314 HydrophobicContact CB-CZ 4.33Å; H261-F314 WeakPolarHBondContact O-CZ 3.48Å |
| 262 | M | 91.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -116.3 | 104.5 | 179.7 | -168.5 | 170.4 | 95.7 | 0 | 0 | 111.7 | N254 H255 T258 Q266 V299 F313 | N254-M262 CarbonylContact C-O 3.56Å; N254-M262 HydrophobicContact CB-CE 3.59Å; N254-M262 VanDerWaalsContact CG-CE 3.48Å; N254-M262 WeakPolarHBondContact ND2-CE 3.31Å; H255-M262 WeakPolarHBondContact CA-O 3.35Å; H255-M262 PolarHBondContact N-O 3.26Å; T258-M262 HydrophobicContact CG2-CB 4.33Å; T258-M262 PolarHBondContact OG1-N 3.09Å; M262-Q266 HydrophobicContact CG-CB 4.17Å; M262-V299 HydrophobicContact CE-CG1 3.91Å; M262-V299 HydrophobicContact CE-CG2 4.05Å; M262-V299 HydrophobicContact SD-CG1 4.49Å; M262-F313 HydrophobicContact CB-CE1 4.4Å |
| 263 | G | 92.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -105.6 | -167.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G251 K265 Q266 S267 | G251-G263 CarbonylContact O-C 3.53Å; G263-K265 VanDerWaalsContact C-N 3.33Å; G263-K265 PolarHBondContact O-N 3.18Å; G263-Q266 PolarHBondContact O-N 2.92Å; G263-Q266 PolarHBondContact O-OE1 2.62Å; G263-S267 PolarHBondContact O-N 2.91Å; G263-S267 PolarHBondContact O-OG 2.68Å; G263-S267 VanDerWaalsContact O-OG 3.12Å | ||
| 264 | V | 95.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | I248 V252 Q266 S267 I268 | I248-V264 HydrophobicContact CB-CG1 4.37Å; I248-V264 HydrophobicContact CG1-CG1 4.04Å; I248-V264 HydrophobicContact CG2-CG1 4.28Å; V252-V264 HydrophobicContact CG2-CG2 3.6Å; V264-Q266 PolarHBondContact O-N 2.91Å; V264-S267 PolarHBondContact O-N 3.08Å; V264-I268 HydrophobicContact CG1-CD1 3.71Å; V264-I268 HydrophobicContact CG1-CG1 4.24Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 3.38Å |
| 265 | K | 95.7 | Very high | 93.8 | Very high | 180 Ų | 180 | 62.2 Ų | 62.2 | 78% | 0.783 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.7 | -48.2 | -179.7 | -72.7 | -174.5 | -79.9 | -177.7 | 0 | 111.5 | G263 S267 F269 | G263-K265 VanDerWaalsContact C-N 3.33Å; G263-K265 PolarHBondContact O-N 3.18Å; K265-S267 VanDerWaalsContact C-N 3.35Å; K265-F269 WeakPolarHBondContact O-CB 3.33Å; K265-F269 PolarHBondContact O-N 3.43Å; K265-F269 VanDerWaalsContact O-N 3.08Å |
| 266 | Q | 92.8 | Very high | 93.6 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 178.1 | -64 | 90.1 | -27.2 | 0 | 0 | 111.4 | H261 M262 G263 V264 F269 A270 | H261-Q266 PolarHBondContact O-NE2 2.76Å; M262-Q266 HydrophobicContact CG-CB 4.17Å; G263-Q266 PolarHBondContact O-N 2.92Å; G263-Q266 PolarHBondContact O-OE1 2.62Å; V264-Q266 PolarHBondContact O-N 2.91Å; Q266-F269 PolarHBondContact O-N 2.75Å; Q266-A270 VanDerWaalsContact O-CB 3.22Å; Q266-A270 WeakPolarHBondContact O-CB 3.38Å; Q266-A270 PolarHBondContact O-N 3.27Å |
| 267 | S | 92.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | G251 G263 V264 K265 Q271 | G251-S267 WeakPolarHBondContact CA-OG 3.37Å; G263-S267 PolarHBondContact O-N 2.91Å; G263-S267 PolarHBondContact O-OG 2.68Å; G263-S267 VanDerWaalsContact O-OG 3.12Å; V264-S267 PolarHBondContact O-N 3.08Å; K265-S267 VanDerWaalsContact C-N 3.35Å; S267-Q271 WeakPolarHBondContact O-CB 3.36Å; S267-Q271 PolarHBondContact O-N 3.22Å |
| 268 | I | 95.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 32% | 0.323 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.3 | -67.4 | 171.6 | 0 | 0 | 0 | 110.5 | L244 I248 V264 Q271 A272 | L244-I268 HydrophobicContact CD1-CD1 4.04Å; L244-I268 HydrophobicContact CD1-CG1 4.31Å; I248-I268 HydrophobicContact CG1-CD1 4.11Å; V264-I268 HydrophobicContact CG1-CD1 3.71Å; V264-I268 HydrophobicContact CG1-CG1 4.24Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 3.38Å; I268-Q271 PolarHBondContact O-N 2.71Å; I268-A272 WeakPolarHBondContact O-CB 3.26Å; I268-A272 PolarHBondContact O-N 3.43Å |
| 269 | F | 95.1 | Very high | 93.2 | Very high | 136 Ų | 136 | 68.4 Ų | 68.4 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 179.7 | -174 | -105 | 0 | 0 | 0 | 112 | K265 Q266 Q271 A272 M273 | K265-F269 WeakPolarHBondContact O-CB 3.33Å; K265-F269 PolarHBondContact O-N 3.43Å; K265-F269 VanDerWaalsContact O-N 3.08Å; Q266-F269 PolarHBondContact O-N 2.75Å; F269-Q271 VanDerWaalsContact C-N 3.35Å; F269-Q271 PolarHBondContact O-N 3.09Å; F269-A272 PolarHBondContact O-N 2.84Å; F269-M273 HydrophobicContact CD1-CG 4.45Å; F269-M273 HydrophobicContact CD1-SD 3.86Å; F269-M273 HydrophobicContact CE1-CG 4.1Å; F269-M273 HydrophobicContact CE1-SD 3.16Å; F269-M273 WeakPolarHBondContact CE1-SD 3.35Å; F269-M273 HydrophobicContact CE2-CG 4.47Å; F269-M273 HydrophobicContact CE2-SD 4.38Å; F269-M273 HydrophobicContact CZ-CG 4.1Å; F269-M273 HydrophobicContact CZ-SD 3.47Å; F269-M273 WeakPolarHBondContact CZ-SD 3.42Å; F269-M273 PolarHBondContact O-N 3.27Å |
| 270 | A | 92.8 | Very high | 93 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q266 M273 G274 | Q266-A270 VanDerWaalsContact O-CB 3.22Å; Q266-A270 WeakPolarHBondContact O-CB 3.38Å; Q266-A270 PolarHBondContact O-N 3.27Å; A270-M273 PolarHBondContact O-N 3.27Å; A270-G274 PolarHBondContact O-N 2.89Å |
| 271 | Q | 94.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.2 | -177.9 | 62.5 | 60.1 | 0 | 0 | 112 | S247 S267 I268 F269 G275 L289 | S247-Q271 WeakPolarHBondContact OG-CG 3.49Å; S267-Q271 WeakPolarHBondContact O-CB 3.36Å; S267-Q271 PolarHBondContact O-N 3.22Å; I268-Q271 PolarHBondContact O-N 2.71Å; F269-Q271 VanDerWaalsContact C-N 3.35Å; F269-Q271 PolarHBondContact O-N 3.09Å; Q271-G275 PolarHBondContact O-N 3.36Å; Q271-L289 PolarHBondContact NE2-O 2.83Å |
| 272 | A | 94.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I268 F269 G275 L276 | I268-A272 WeakPolarHBondContact O-CB 3.26Å; I268-A272 PolarHBondContact O-N 3.43Å; F269-A272 PolarHBondContact O-N 2.84Å; A272-G275 PolarHBondContact O-N 3.34Å; A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 PolarHBondContact O-N 2.99Å |
| 273 | M | 94.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 175.5 | -77.2 | -172.5 | 64 | 0 | 0 | 111.6 | F269 A270 G275 L276 F277 | F269-M273 HydrophobicContact CD1-CG 4.45Å; F269-M273 HydrophobicContact CD1-SD 3.86Å; F269-M273 HydrophobicContact CE1-CG 4.1Å; F269-M273 HydrophobicContact CE1-SD 3.16Å; F269-M273 WeakPolarHBondContact CE1-SD 3.35Å; F269-M273 HydrophobicContact CE2-CG 4.47Å; F269-M273 HydrophobicContact CE2-SD 4.38Å; F269-M273 HydrophobicContact CZ-CG 4.1Å; F269-M273 HydrophobicContact CZ-SD 3.47Å; F269-M273 WeakPolarHBondContact CZ-SD 3.42Å; F269-M273 PolarHBondContact O-N 3.27Å; A270-M273 PolarHBondContact O-N 3.27Å; M273-G275 VanDerWaalsContact C-N 3.29Å; M273-G275 PolarHBondContact O-N 2.75Å; M273-L276 PolarHBondContact O-N 2.82Å; M273-L276 VanDerWaalsContact O-N 3.12Å; M273-F277 HydrophobicContact CE-CE2 3.89Å; M273-F277 VanDerWaalsContact O-CD2 3.27Å; M273-F277 WeakPolarHBondContact O-CD2 3.45Å; M273-F277 PolarHBondContact O-N 2.85Å |
| 274 | G | 92.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A270 F278 L289 | A270-G274 PolarHBondContact O-N 2.89Å; G274-F278 VanDerWaalsContact O-CB 3.25Å; G274-F278 WeakPolarHBondContact O-CB 3.5Å; G274-F278 PolarHBondContact O-N 3.5Å; G274-L289 WeakPolarHBondContact O-CD1 3.46Å |
| 275 | G | 92.4 | Very high | 90.9 | Very high | 28 Ų | 28 | 76.3 Ų | 76.3 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q271 A272 M273 S279 | Q271-G275 PolarHBondContact O-N 3.36Å; A272-G275 PolarHBondContact O-N 3.34Å; M273-G275 VanDerWaalsContact C-N 3.29Å; M273-G275 PolarHBondContact O-N 2.75Å; G275-S279 VanDerWaalsContact O-CB 3.29Å; G275-S279 WeakPolarHBondContact O-CB 3.43Å; G275-S279 PolarHBondContact O-N 3.33Å; G275-S279 PolarHBondContact O-OG 3.22Å |
| 276 | L | 92.8 | Very high | 90.4 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 59% | 0.592 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.5 | -45.3 | 177.1 | -177.2 | 64.4 | 0 | 0 | 0 | 112.1 | A272 M273 F278 S279 V280 | A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 PolarHBondContact O-N 2.99Å; M273-L276 PolarHBondContact O-N 2.82Å; M273-L276 VanDerWaalsContact O-N 3.12Å; L276-F278 VanDerWaalsContact C-N 3.31Å; L276-F278 PolarHBondContact O-N 3.17Å; L276-S279 PolarHBondContact O-N 2.96Å; L276-S279 PolarHBondContact O-OG 3.47Å; L276-V280 HydrophobicContact CD1-CG2 4.29Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.09Å; L276-V280 VanDerWaalsContact O-N 3.09Å |
| 277 | F | 93.2 | Very high | 90.3 | Very high | 118 Ų | 118 | 74.8 Ų | 74.8 | 52% | 0.518 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.8 | -86.4 | -76.8 | 0 | 0 | 0 | 111 | M273 V280 F281 | M273-F277 HydrophobicContact CE-CE2 3.89Å; M273-F277 VanDerWaalsContact O-CD2 3.27Å; M273-F277 WeakPolarHBondContact O-CD2 3.45Å; M273-F277 PolarHBondContact O-N 2.85Å; F277-V280 PolarHBondContact O-N 2.81Å; F277-F281 AromaticContact CD1-CD2 4Å; F277-F281 HydrophobicContact CD1-CD2 4Å; F277-F281 AromaticContact CD1-CE2 3.9Å; F277-F281 HydrophobicContact CD1-CE2 3.9Å; F277-F281 HydrophobicContact CE1-CE2 4.29Å; F277-F281 WeakPolarHBondContact O-CB 3.3Å; F277-F281 WeakPolarHBondContact O-CD2 3.23Å; F277-F281 PolarHBondContact O-N 3.2Å |
| 278 | F | 91.4 | Very high | 90.1 | Very high | 59 Ų | 59 | 78.1 Ų | 78.1 | 26% | 0.259 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70 | -32.8 | 178.4 | -171.9 | -94.5 | 0 | 0 | 0 | 112.9 | G274 L276 V280 G282 I287 L289 | G274-F278 VanDerWaalsContact O-CB 3.25Å; G274-F278 WeakPolarHBondContact O-CB 3.5Å; G274-F278 PolarHBondContact O-N 3.5Å; L276-F278 VanDerWaalsContact C-N 3.31Å; L276-F278 PolarHBondContact O-N 3.17Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 2.9Å; F278-G282 WeakPolarHBondContact O-CA 3.39Å; F278-G282 PolarHBondContact O-N 3.39Å; F278-I287 HydrophobicContact CE1-CB 3.55Å; F278-I287 HydrophobicContact CE1-CG2 3.7Å; F278-I287 HydrophobicContact CE2-CG2 4.4Å; F278-I287 HydrophobicContact CZ-CB 3.56Å; F278-I287 HydrophobicContact CZ-CD1 4.04Å; F278-I287 HydrophobicContact CZ-CG1 4.31Å; F278-I287 HydrophobicContact CZ-CG2 3.61Å; F278-L289 HydrophobicContact CB-CD1 3.37Å; F278-L289 HydrophobicContact CB-CG 4.14Å; F278-L289 HydrophobicContact CD1-CD1 4.36Å; F278-L289 HydrophobicContact CD1-CG 4.23Å; F278-L289 HydrophobicContact CD2-CD1 4.09Å; F278-L289 HydrophobicContact CD2-CD2 4.34Å; F278-L289 HydrophobicContact CD2-CG 4.38Å; F278-L289 HydrophobicContact CG-CD1 3.68Å; F278-L289 HydrophobicContact CG-CD2 4.41Å; F278-L289 HydrophobicContact CG-CG 3.97Å |
| 279 | S | 89.6 | Confident | 89.9 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 43% | 0.434 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.1 | -24 | 176.3 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | Y219 G275 L276 | Y219-S279 PolarHBondContact OH-O 2.69Å; G275-S279 VanDerWaalsContact O-CB 3.29Å; G275-S279 WeakPolarHBondContact O-CB 3.43Å; G275-S279 PolarHBondContact O-N 3.33Å; G275-S279 PolarHBondContact O-OG 3.22Å; L276-S279 PolarHBondContact O-N 2.96Å; L276-S279 PolarHBondContact O-OG 3.47Å |
| 280 | V | 90 | Very high | 89.7 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -95.7 | -28.2 | 179.9 | 174.7 | 0 | 0 | 0 | 0 | 113.6 | Y215 L276 F277 F278 | Y215-V280 PolarHBondContact OH-O 2.82Å; L276-V280 HydrophobicContact CD1-CG2 4.29Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.09Å; L276-V280 VanDerWaalsContact O-N 3.09Å; F277-V280 PolarHBondContact O-N 2.81Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 2.9Å |
| 281 | F | 88.5 | Confident | 89.6 | Confident | 156 Ų | 156 | 73.3 Ų | 73.3 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -119.5 | -11.3 | -177.2 | -62.6 | -74.8 | 0 | 0 | 0 | 113.7 | F277 | F277-F281 AromaticContact CD1-CD2 4Å; F277-F281 HydrophobicContact CD1-CD2 4Å; F277-F281 AromaticContact CD1-CE2 3.9Å; F277-F281 HydrophobicContact CD1-CE2 3.9Å; F277-F281 HydrophobicContact CE1-CE2 4.29Å; F277-F281 WeakPolarHBondContact O-CB 3.3Å; F277-F281 WeakPolarHBondContact O-CD2 3.23Å; F277-F281 PolarHBondContact O-N 3.2Å |
| 282 | G | 85.9 | Confident | 89.5 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | trans | -73.3 | 135.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y215 F278 Q284 | Y215-G282 WeakPolarHBondContact CE2-O 3.41Å; Y215-G282 PolarHBondContact OH-O 2.95Å; F278-G282 WeakPolarHBondContact O-CA 3.39Å; F278-G282 PolarHBondContact O-N 3.39Å; G282-Q284 VanDerWaalsContact C-N 3.32Å | ||
| 283 | G | 80.3 | Confident | 89.5 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 38% | 0.381 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -84.4 | -0.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R211 | R211-G283 PolarHBondContact NE-O 3.26Š|
| 284 | Q | 85.8 | Confident | 89.5 | Confident | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | trans | -132.1 | 92.3 | -172.1 | -71 | -178.1 | -26.4 | 0 | 0 | 111 | G282 I286 I287 | G282-Q284 VanDerWaalsContact C-N 3.32Å; Q284-I286 PolarHBondContact O-N 3.33Å; Q284-I286 VanDerWaalsContact O-N 3.09Å; Q284-I287 HydrophobicContact CB-CD1 3.91Å; Q284-I287 HydrophobicContact CB-CG1 4.16Å; Q284-I287 PolarHBondContact O-N 3.1Å | ||
| 285 | P | 78.5 | Confident | 89.5 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.3 | -170.7 | 26.1 | -35.1 | 0 | 0 | 0 | 114.6 | R211 | R211-P285 VanDerWaalsContact NH2-CD 3.28Š|
| 286 | I | 84.7 | Confident | 89.6 | Confident | 158 Ų | 158 | 76.8 Ų | 76.8 | 81% | 0.81 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.3 | 179.6 | -161.4 | 163.5 | 0 | 0 | 0 | 113.5 | Q284 V288 | Q284-I286 PolarHBondContact O-N 3.33Å; Q284-I286 VanDerWaalsContact O-N 3.09Å; I286-V288 PolarHBondContact O-N 2.94Å |
| 287 | I | 89.4 | Confident | 89.8 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | trans | -78.2 | 127.3 | -176.6 | -69 | -178.6 | 0 | 0 | 0 | 110.1 | F278 Q284 L289 | F278-I287 HydrophobicContact CE1-CB 3.55Å; F278-I287 HydrophobicContact CE1-CG2 3.7Å; F278-I287 HydrophobicContact CE2-CG2 4.4Å; F278-I287 HydrophobicContact CZ-CB 3.56Å; F278-I287 HydrophobicContact CZ-CD1 4.04Å; F278-I287 HydrophobicContact CZ-CG1 4.31Å; F278-I287 HydrophobicContact CZ-CG2 3.61Å; Q284-I287 HydrophobicContact CB-CD1 3.91Å; Q284-I287 HydrophobicContact CB-CG1 4.16Å; Q284-I287 PolarHBondContact O-N 3.1Å; I287-L289 HydrophobicContact CG2-CD2 4.11Å | ||
| 288 | V | 89.5 | Confident | 89.9 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -104.4 | 115.1 | 170 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L239 C243 I286 | L239-V288 HydrophobicContact CD2-CG2 3.88Å; C243-V288 VanDerWaalsContact SG-CG1 3.51Å; I286-V288 PolarHBondContact O-N 2.94Å | ||
| 289 | L | 90.4 | Very high | 90.1 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | trans | -73.6 | 134.8 | 174.2 | -64.7 | -177.5 | 0 | 0 | 0 | 109.6 | Q271 G274 F278 I287 | Q271-L289 PolarHBondContact NE2-O 2.83Å; G274-L289 WeakPolarHBondContact O-CD1 3.46Å; F278-L289 HydrophobicContact CB-CD1 3.37Å; F278-L289 HydrophobicContact CB-CG 4.14Å; F278-L289 HydrophobicContact CD1-CD1 4.36Å; F278-L289 HydrophobicContact CD1-CG 4.23Å; F278-L289 HydrophobicContact CD2-CD1 4.09Å; F278-L289 HydrophobicContact CD2-CD2 4.34Å; F278-L289 HydrophobicContact CD2-CG 4.38Å; F278-L289 HydrophobicContact CG-CD1 3.68Å; F278-L289 HydrophobicContact CG-CD2 4.41Å; F278-L289 HydrophobicContact CG-CG 3.97Å; I287-L289 HydrophobicContact CG2-CD2 4.11Å | ||
| 290 | L | 92.3 | Very high | 90.4 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | trans | -153.5 | 143.5 | 174 | -139.7 | 67.5 | 0 | 0 | 0 | 110.8 | C243 P246 T292 | C243-L290 HydrophobicContact CB-CD1 3.82Å; P246-L290 HydrophobicContact CB-CD2 3.69Å; P246-L290 HydrophobicContact CB-CG 4.41Å; P246-L290 HydrophobicContact CG-CD2 3.88Å; L290-T292 PolarHBondContact O-N 3.18Å | ||
| 291 | T | 89.3 | Confident | 90.7 | Very high | 31 Ų | 31 | 76 Ų | 76 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | trans | -61.6 | 131.4 | 169.5 | -61.6 | 0 | 0 | 0 | 0 | 109.6 | F250 L295 | F250-T291 HydrophobicContact CB-CG2 4.01Å; F250-T291 VanDerWaalsContact CD2-O 3.29Å; F250-T291 WeakPolarHBondContact CD2-O 3.07Å; F250-T291 WeakPolarHBondContact CE2-O 3.35Å; F250-T291 HydrophobicContact CG-CG2 4.18Å; T291-L295 HydrophobicContact CG2-CB 4.49Å; T291-L295 HydrophobicContact CG2-CD2 4.25Å | ||
| 292 | T | 93.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | trans | -109.9 | 160.5 | 178.9 | 60 | 0 | 0 | 0 | 0 | 110.8 | L290 L295 S296 | L290-T292 PolarHBondContact O-N 3.18Å; T292-L295 WeakPolarHBondContact O-CB 3.29Å; T292-L295 PolarHBondContact O-N 3.48Å; T292-S296 PolarHBondContact O-N 3.38Å | ||
| 293 | V | 94.9 | Very high | 91.7 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.3 | -46.4 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | F250 L295 S296 I297 | F250-V293 HydrophobicContact CE1-CB 4.33Å; F250-V293 HydrophobicContact CE1-CG2 3.62Å; F250-V293 HydrophobicContact CZ-CG2 3.74Å; V293-L295 VanDerWaalsContact C-N 3.26Å; V293-L295 PolarHBondContact O-N 3.4Å; V293-S296 WeakPolarHBondContact O-CB 3.37Å; V293-S296 PolarHBondContact O-N 2.89Å; V293-S296 VanDerWaalsContact O-N 3.16Å; V293-I297 HydrophobicContact CG1-CD1 4.2Å; V293-I297 WeakPolarHBondContact O-CG1 3.45Å; V293-I297 PolarHBondContact O-N 3.24Å; V293-I297 VanDerWaalsContact O-N 3.13Å |
| 294 | P | 95.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -36.2 | 178.5 | -25.4 | 36.6 | 0 | 0 | 0 | 113.2 | I297 Y298 | P294-I297 WeakPolarHBondContact O-CB 3.23Å; P294-I297 PolarHBondContact O-N 3.01Å; P294-Y298 VanDerWaalsContact O-CD2 3.23Å; P294-Y298 WeakPolarHBondContact O-CD2 3.37Å; P294-Y298 PolarHBondContact O-N 3.27Å |
| 295 | L | 92.9 | Very high | 93 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.6 | -172.2 | 62.9 | 0 | 0 | 0 | 111.4 | T291 T292 V293 I297 Y298 V299 | T291-L295 HydrophobicContact CG2-CB 4.49Å; T291-L295 HydrophobicContact CG2-CD2 4.25Å; T292-L295 WeakPolarHBondContact O-CB 3.29Å; T292-L295 PolarHBondContact O-N 3.48Å; V293-L295 VanDerWaalsContact C-N 3.26Å; V293-L295 PolarHBondContact O-N 3.4Å; L295-I297 VanDerWaalsContact C-N 3.27Å; L295-I297 PolarHBondContact O-N 2.76Å; L295-Y298 WeakPolarHBondContact O-CB 3.49Å; L295-Y298 PolarHBondContact O-N 3.05Å; L295-Y298 VanDerWaalsContact O-N 3.13Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.45Å |
| 296 | S | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -35.1 | 172.9 | -76.7 | 0 | 0 | 0 | 0 | 113.1 | N254 T292 V293 V299 K300 | N254-S296 WeakPolarHBondContact OD1-CA 3.34Å; N254-S296 VanDerWaalsContact OD1-CB 3.25Å; N254-S296 WeakPolarHBondContact OD1-CB 3.09Å; N254-S296 PolarHBondContact OD1-OG 3.25Å; T292-S296 PolarHBondContact O-N 3.38Å; V293-S296 WeakPolarHBondContact O-CB 3.37Å; V293-S296 PolarHBondContact O-N 2.89Å; V293-S296 VanDerWaalsContact O-N 3.16Å; S296-V299 PolarHBondContact O-N 3.13Å; S296-K300 PolarHBondContact O-N 3.11Å; S296-K300 VanDerWaalsContact O-N 3.13Å |
| 297 | I | 95.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 173.8 | -62.6 | 170.1 | 0 | 0 | 0 | 110.3 | V293 P294 L295 V299 K300 I301 | V293-I297 HydrophobicContact CG1-CD1 4.2Å; V293-I297 WeakPolarHBondContact O-CG1 3.45Å; V293-I297 PolarHBondContact O-N 3.24Å; V293-I297 VanDerWaalsContact O-N 3.13Å; P294-I297 WeakPolarHBondContact O-CB 3.23Å; P294-I297 PolarHBondContact O-N 3.01Å; L295-I297 VanDerWaalsContact C-N 3.27Å; L295-I297 PolarHBondContact O-N 2.76Å; I297-V299 PolarHBondContact O-N 3.47Å; I297-K300 WeakPolarHBondContact O-CB 3.1Å; I297-K300 PolarHBondContact O-N 3.12Å; I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CG1 3.14Å; I297-I301 PolarHBondContact O-N 3.32Å |
| 298 | Y | 95.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 69.2 Ų | 69.2 | 59% | 0.592 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 174.2 | -82.9 | -69.2 | 0 | 0 | 0 | 112.6 | P294 L295 K300 I301 I302 | P294-Y298 VanDerWaalsContact O-CD2 3.23Å; P294-Y298 WeakPolarHBondContact O-CD2 3.37Å; P294-Y298 PolarHBondContact O-N 3.27Å; L295-Y298 WeakPolarHBondContact O-CB 3.49Å; L295-Y298 PolarHBondContact O-N 3.05Å; L295-Y298 VanDerWaalsContact O-N 3.13Å; Y298-K300 VanDerWaalsContact C-N 3.28Å; Y298-K300 PolarHBondContact O-N 3.12Å; Y298-I301 PolarHBondContact O-N 3.43Å; Y298-I301 VanDerWaalsContact O-N 3.16Å; Y298-I302 VanDerWaalsContact O-CG1 3.28Å; Y298-I302 WeakPolarHBondContact O-CG1 3.48Å; Y298-I302 PolarHBondContact O-N 2.97Å |
| 299 | V | 95.8 | Very high | 95 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | T258 M262 L295 S296 I297 I301 I302 Y303 F313 Y317 | T258-V299 HydrophobicContact CG2-CG1 3.63Å; M262-V299 HydrophobicContact CE-CG1 3.91Å; M262-V299 HydrophobicContact CE-CG2 4.05Å; M262-V299 HydrophobicContact SD-CG1 4.49Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.45Å; S296-V299 PolarHBondContact O-N 3.13Å; I297-V299 PolarHBondContact O-N 3.47Å; V299-I301 PolarHBondContact O-N 3.37Å; V299-I302 PolarHBondContact O-N 3.41Å; V299-Y303 PolarHBondContact O-N 2.93Å; V299-F313 HydrophobicContact CG1-CZ 4.11Å; V299-Y317 HydrophobicContact CG2-CE2 3.8Å |
| 300 | K | 96.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 77.5 Ų | 77.5 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 176.2 | -172 | -177.6 | -175.4 | 165.5 | 0 | 112 | N257 S296 I297 Y298 Y303 Q304 | N257-K300 HydrophobicContact CB-CB 3.89Å; N257-K300 HydrophobicContact CB-CD 4.4Å; N257-K300 HydrophobicContact CB-CG 4.01Å; N257-K300 WeakPolarHBondContact OD1-CD 3.2Å; S296-K300 PolarHBondContact O-N 3.11Å; S296-K300 VanDerWaalsContact O-N 3.13Å; I297-K300 WeakPolarHBondContact O-CB 3.1Å; I297-K300 PolarHBondContact O-N 3.12Å; Y298-K300 VanDerWaalsContact C-N 3.28Å; Y298-K300 PolarHBondContact O-N 3.12Å; K300-Y303 WeakPolarHBondContact O-CB 3.39Å; K300-Y303 PolarHBondContact O-N 2.87Å; K300-Q304 WeakPolarHBondContact O-CG 3.21Å; K300-Q304 PolarHBondContact O-N 3.22Å |
| 301 | I | 97.3 | Very high | 95.4 | Very high | 71 Ų | 71 | 78.9 Ų | 78.9 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.7 | -67.4 | 166 | 0 | 0 | 0 | 110.5 | I297 Y298 V299 Y303 Q304 I305 | I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CG1 3.14Å; I297-I301 PolarHBondContact O-N 3.32Å; Y298-I301 PolarHBondContact O-N 3.43Å; Y298-I301 VanDerWaalsContact O-N 3.16Å; V299-I301 PolarHBondContact O-N 3.37Å; I301-Y303 VanDerWaalsContact C-N 3.28Å; I301-Y303 PolarHBondContact O-N 2.93Å; I301-Q304 PolarHBondContact O-N 2.96Å; I301-I305 HydrophobicContact CG2-CD1 3.78Å; I301-I305 HydrophobicContact CG2-CG1 4.39Å; I301-I305 VanDerWaalsContact O-CG1 3.31Å; I301-I305 WeakPolarHBondContact O-CG1 3.4Å; I301-I305 PolarHBondContact O-N 2.81Å |
| 302 | I | 97.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 82.7 Ų | 82.7 | 9% | 0.087 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177 | -65 | 163.8 | 0 | 0 | 0 | 110.4 | Y298 V299 I305 S306 F313 L316 Y317 V320 | Y298-I302 VanDerWaalsContact O-CG1 3.28Å; Y298-I302 WeakPolarHBondContact O-CG1 3.48Å; Y298-I302 PolarHBondContact O-N 2.97Å; V299-I302 PolarHBondContact O-N 3.41Å; I302-I305 PolarHBondContact O-N 3.32Å; I302-S306 WeakPolarHBondContact O-CB 3.47Å; I302-S306 PolarHBondContact O-N 3.48Å; I302-F313 HydrophobicContact CG2-CD2 4.41Å; I302-F313 HydrophobicContact CG2-CE2 4.21Å; I302-L316 HydrophobicContact CG2-CD2 3.98Å; I302-L316 HydrophobicContact CG2-CG 4Å; I302-Y317 HydrophobicContact CD1-CD2 3.75Å; I302-Y317 HydrophobicContact CD1-CE2 4.02Å; I302-Y317 HydrophobicContact CG2-CD2 4.18Å; I302-V320 HydrophobicContact CD1-CB 4.26Å; I302-V320 HydrophobicContact CD1-CG1 3.93Å; I302-V320 HydrophobicContact CD1-CG2 4.32Å; I302-V320 HydrophobicContact CG1-CG2 4.45Å |
| 303 | Y | 97 | Very high | 95.8 | Very high | 8 Ų | 8 | 79.5 Ų | 79.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 174.6 | -177.1 | -108.3 | 0 | 0 | 0 | 111.9 | N257 T258 E259 H261 V299 K300 I301 I305 S306 R307 F313 | N257-Y303 WeakPolarHBondContact O-CD1 3.49Å; T258-Y303 HydrophobicContact CG2-CD2 4.46Å; T258-Y303 HydrophobicContact CG2-CG 4.23Å; E259-Y303 HydrophobicContact CB-CE1 4.28Å; E259-Y303 HydrophobicContact CG-CE1 3.9Å; E259-Y303 PolarHBondContact OE2-OH 2.8Å; H261-Y303 AromaticContact CD2-CE2 3.5Å; H261-Y303 VanDerWaalsContact CD2-CE2 3.5Å; H261-Y303 WeakPolarHBondContact CD2-CE2 3.22Å; H261-Y303 AromaticContact CD2-CZ 3.91Å; V299-Y303 PolarHBondContact O-N 2.93Å; K300-Y303 WeakPolarHBondContact O-CB 3.39Å; K300-Y303 PolarHBondContact O-N 2.87Å; I301-Y303 VanDerWaalsContact C-N 3.28Å; I301-Y303 PolarHBondContact O-N 2.93Å; Y303-I305 PolarHBondContact O-N 3.41Å; Y303-S306 PolarHBondContact O-N 3.42Å; Y303-S306 VanDerWaalsContact O-N 3.15Å; Y303-S306 PolarHBondContact O-OG 3.44Å; Y303-R307 HydrophobicContact CD1-CG 4.47Å; Y303-R307 HydrophobicContact CE1-CG 4.04Å; Y303-R307 HydrophobicContact CE2-CG 4.25Å; Y303-R307 WeakPolarHBondContact O-CG 3.49Å; Y303-R307 PolarHBondContact O-N 2.95Å; Y303-F313 HydrophobicContact CD2-CB 4.23Å; Y303-F313 HydrophobicContact CD2-CD1 4.43Å; Y303-F313 AromaticContact CD2-CD2 3.75Å; Y303-F313 HydrophobicContact CD2-CD2 3.75Å; Y303-F313 HydrophobicContact CD2-CE2 4.21Å; Y303-F313 AromaticContact CD2-CG 3.87Å; Y303-F313 HydrophobicContact CD2-CG 3.87Å; Y303-F313 HydrophobicContact CG-CD2 4.39Å |
| 304 | Q | 96.8 | Very high | 95.9 | Very high | 105 Ų | 105 | 80 Ų | 80 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 177.1 | -71.8 | 177 | -41.1 | 0 | 0 | 112.3 | K300 I301 S306 R307 E308 | K300-Q304 WeakPolarHBondContact O-CG 3.21Å; K300-Q304 PolarHBondContact O-N 3.22Å; I301-Q304 PolarHBondContact O-N 2.96Å; Q304-S306 VanDerWaalsContact C-N 3.35Å; Q304-S306 PolarHBondContact O-N 3.02Å; Q304-R307 PolarHBondContact O-N 3.23Å; Q304-E308 PolarHBondContact O-N 3.16Å |
| 305 | I | 97.5 | Very high | 95.9 | Very high | 66 Ų | 66 | 79 Ų | 79 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.7 | -67.1 | 169.8 | 0 | 0 | 0 | 110.3 | I301 I302 Y303 R307 E308 F309 L316 | I301-I305 HydrophobicContact CG2-CD1 3.78Å; I301-I305 HydrophobicContact CG2-CG1 4.39Å; I301-I305 VanDerWaalsContact O-CG1 3.31Å; I301-I305 WeakPolarHBondContact O-CG1 3.4Å; I301-I305 PolarHBondContact O-N 2.81Å; I302-I305 PolarHBondContact O-N 3.32Å; Y303-I305 PolarHBondContact O-N 3.41Å; I305-R307 PolarHBondContact O-N 3.3Å; I305-E308 PolarHBondContact O-N 3.49Å; I305-F309 HydrophobicContact CG2-CD2 3.67Å; I305-F309 HydrophobicContact CG2-CE2 3.99Å; I305-F309 WeakPolarHBondContact O-CD2 3.39Å; I305-F309 PolarHBondContact O-N 3.4Å; I305-L316 HydrophobicContact CB-CD2 4.41Å; I305-L316 HydrophobicContact CG2-CD2 4Å |
| 306 | S | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -36.4 | 178 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | I302 Y303 Q304 E310 L311 | I302-S306 WeakPolarHBondContact O-CB 3.47Å; I302-S306 PolarHBondContact O-N 3.48Å; Y303-S306 PolarHBondContact O-N 3.42Å; Y303-S306 VanDerWaalsContact O-N 3.15Å; Y303-S306 PolarHBondContact O-OG 3.44Å; Q304-S306 VanDerWaalsContact C-N 3.35Å; Q304-S306 PolarHBondContact O-N 3.02Å; S306-E310 CarbonylContact O-C 3.56Å; S306-E310 WeakPolarHBondContact O-CA 3.47Å; S306-E310 PolarHBondContact O-N 3.44Å; S306-E310 VanDerWaalsContact O-N 3.1Å; S306-L311 PolarHBondContact O-N 2.88Å |
| 307 | R | 95.2 | Very high | 96.2 | Very high | 162 Ų | 162 | 80.9 Ų | 80.9 | 61% | 0.611 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.5 | -40.1 | 176.4 | -67.4 | -66.5 | -63.1 | 178.8 | -0.4 | 112.7 | Y303 Q304 I305 E310 | Y303-R307 HydrophobicContact CD1-CG 4.47Å; Y303-R307 HydrophobicContact CE1-CG 4.04Å; Y303-R307 HydrophobicContact CE2-CG 4.25Å; Y303-R307 WeakPolarHBondContact O-CG 3.49Å; Y303-R307 PolarHBondContact O-N 2.95Å; Q304-R307 PolarHBondContact O-N 3.23Å; I305-R307 PolarHBondContact O-N 3.3Å; R307-E310 PolarHBondContact O-N 2.91Å |
| 308 | E | 96.5 | Very high | 96.2 | Very high | 153 Ų | 153 | 79 Ų | 79 | 72% | 0.715 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 179.6 | -174.2 | 174.2 | -171.8 | 0 | 0 | 112.3 | Q304 I305 | Q304-E308 PolarHBondContact O-N 3.16Å; I305-E308 PolarHBondContact O-N 3.49Å |
| 309 | F | 96.3 | Very high | 96.3 | Very high | 136 Ų | 136 | 74.5 Ų | 74.5 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 6.7 | 179 | -71.2 | -85.4 | 0 | 0 | 0 | 113.9 | I305 L311 | I305-F309 HydrophobicContact CG2-CD2 3.67Å; I305-F309 HydrophobicContact CG2-CE2 3.99Å; I305-F309 WeakPolarHBondContact O-CD2 3.39Å; I305-F309 PolarHBondContact O-N 3.4Å; F309-L311 HydrophobicContact CB-CD1 3.92Å; F309-L311 HydrophobicContact CB-CG 3.83Å; F309-L311 PolarHBondContact O-N 2.77Å |
| 310 | E | 95.3 | Very high | 96.4 | Very high | 181 Ų | 181 | 76.9 Ų | 76.9 | 85% | 0.846 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.6 | -176.6 | -57.8 | -175.3 | 168 | 0 | 0 | 113.7 | S306 R307 | S306-E310 CarbonylContact O-C 3.56Å; S306-E310 WeakPolarHBondContact O-CA 3.47Å; S306-E310 PolarHBondContact O-N 3.44Å; S306-E310 VanDerWaalsContact O-N 3.1Å; R307-E310 PolarHBondContact O-N 2.91Å |
| 311 | L | 95.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 74.8 Ų | 74.8 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | trans | -93.4 | 153.1 | 178.6 | -60.4 | 177.2 | 0 | 0 | 0 | 111.6 | S306 F309 F313 L316 | S306-L311 PolarHBondContact O-N 2.88Å; F309-L311 HydrophobicContact CB-CD1 3.92Å; F309-L311 HydrophobicContact CB-CG 3.83Å; F309-L311 PolarHBondContact O-N 2.77Å; L311-F313 PolarHBondContact O-N 2.98Å; L311-L316 HydrophobicContact CD1-CD1 4.33Å; L311-L316 HydrophobicContact CD1-CD2 4.46Å | ||
| 312 | E | 95.9 | Very high | 96.4 | Very high | 110 Ų | 110 | 77.5 Ų | 77.5 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | trans | -70.1 | 121.1 | 172.5 | -163.3 | -85.9 | 115.6 | 0 | 0 | 109.8 | F314 A315 L316 | E312-F314 PolarHBondContact O-N 3.08Å; E312-F314 WeakPolarHBondContact OE1-CA 3.38Å; E312-F314 WeakPolarHBondContact OE1-CB 3.45Å; E312-F314 WeakPolarHBondContact OE1-CD2 3.42Å; E312-F314 PolarHBondContact OE1-N 3.22Å; E312-A315 HydrophobicContact CB-CB 4.22Å; E312-A315 PolarHBondContact O-N 3.43Å; E312-A315 WeakPolarHBondContact OE2-CB 3.1Å; E312-A315 PolarHBondContact OE2-N 3.44Å; E312-L316 PolarHBondContact O-N 2.92Å | ||
| 313 | F | 95.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 83.3 Ų | 83.3 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | -171.6 | 165.6 | -113.6 | 0 | 0 | 0 | 113 | T258 H261 M262 V299 I302 Y303 L311 L316 Y317 | T258-F313 HydrophobicContact CG2-CE1 4.34Å; T258-F313 HydrophobicContact CG2-CE2 4.44Å; T258-F313 HydrophobicContact CG2-CZ 3.88Å; H261-F313 HydrophobicContact CB-CD1 4.03Å; H261-F313 HydrophobicContact CB-CE1 4.26Å; M262-F313 HydrophobicContact CB-CE1 4.4Å; V299-F313 HydrophobicContact CG1-CZ 4.11Å; I302-F313 HydrophobicContact CG2-CD2 4.41Å; I302-F313 HydrophobicContact CG2-CE2 4.21Å; Y303-F313 HydrophobicContact CD2-CB 4.23Å; Y303-F313 HydrophobicContact CD2-CD1 4.43Å; Y303-F313 AromaticContact CD2-CD2 3.75Å; Y303-F313 HydrophobicContact CD2-CD2 3.75Å; Y303-F313 HydrophobicContact CD2-CE2 4.21Å; Y303-F313 AromaticContact CD2-CG 3.87Å; Y303-F313 HydrophobicContact CD2-CG 3.87Å; Y303-F313 HydrophobicContact CG-CD2 4.39Å; L311-F313 PolarHBondContact O-N 2.98Å; F313-L316 PolarHBondContact O-N 2.67Å; F313-Y317 HydrophobicContact CE2-CD2 4.46Å; F313-Y317 HydrophobicContact CZ-CD2 4.5Å; F313-Y317 VanDerWaalsContact O-CB 3.24Å; F313-Y317 WeakPolarHBondContact O-CB 3.42Å; F313-Y317 PolarHBondContact O-N 2.88Å |
| 314 | F | 95.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 86.5 Ų | 86.5 | 40% | 0.404 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | -177.4 | -63.5 | -68.8 | 0 | 0 | 0 | 111.6 | H261 E312 Y317 A318 | H261-F314 HydrophobicContact CB-CZ 4.33Å; H261-F314 WeakPolarHBondContact O-CZ 3.48Å; E312-F314 PolarHBondContact O-N 3.08Å; E312-F314 WeakPolarHBondContact OE1-CA 3.38Å; E312-F314 WeakPolarHBondContact OE1-CB 3.45Å; E312-F314 WeakPolarHBondContact OE1-CD2 3.42Å; E312-F314 PolarHBondContact OE1-N 3.22Å; F314-Y317 PolarHBondContact O-N 2.91Å; F314-A318 VanDerWaalsContact O-CB 3.24Å; F314-A318 WeakPolarHBondContact O-CB 3.47Å; F314-A318 PolarHBondContact O-N 2.97Å |
| 315 | A | 97 | Very high | 96.3 | Very high | 53 Ų | 53 | 86.7 Ų | 86.7 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | E312 A318 C319 | E312-A315 HydrophobicContact CB-CB 4.22Å; E312-A315 PolarHBondContact O-N 3.43Å; E312-A315 WeakPolarHBondContact OE2-CB 3.1Å; E312-A315 PolarHBondContact OE2-N 3.44Å; A315-A318 PolarHBondContact O-N 3.21Å; A315-C319 WeakPolarHBondContact O-CB 3.15Å; A315-C319 PolarHBondContact O-N 3.24Å |
| 316 | L | 97 | Very high | 96.2 | Very high | 36 Ų | 36 | 87.4 Ų | 87.4 | 19% | 0.188 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 177.1 | -177.3 | 63.1 | 0 | 0 | 0 | 111.1 | I302 I305 L311 E312 F313 A318 C319 V320 | I302-L316 HydrophobicContact CG2-CD2 3.98Å; I302-L316 HydrophobicContact CG2-CG 4Å; I305-L316 HydrophobicContact CB-CD2 4.41Å; I305-L316 HydrophobicContact CG2-CD2 4Å; L311-L316 HydrophobicContact CD1-CD1 4.33Å; L311-L316 HydrophobicContact CD1-CD2 4.46Å; E312-L316 PolarHBondContact O-N 2.92Å; F313-L316 PolarHBondContact O-N 2.67Å; L316-A318 PolarHBondContact O-N 2.84Å; L316-C319 WeakPolarHBondContact O-CB 3.09Å; L316-C319 PolarHBondContact O-N 3.07Å; L316-V320 WeakPolarHBondContact O-CG2 3.48Å; L316-V320 PolarHBondContact O-N 3.41Å |
| 317 | Y | 95.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 91.4 Ų | 91.4 | 30% | 0.302 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 178.1 | -171.4 | -105.5 | 0 | 0 | 0 | 112.1 | V299 I302 F313 F314 V320 G321 | V299-Y317 HydrophobicContact CG2-CE2 3.8Å; I302-Y317 HydrophobicContact CD1-CD2 3.75Å; I302-Y317 HydrophobicContact CD1-CE2 4.02Å; I302-Y317 HydrophobicContact CG2-CD2 4.18Å; F313-Y317 HydrophobicContact CE2-CD2 4.46Å; F313-Y317 HydrophobicContact CZ-CD2 4.5Å; F313-Y317 VanDerWaalsContact O-CB 3.24Å; F313-Y317 WeakPolarHBondContact O-CB 3.42Å; F313-Y317 PolarHBondContact O-N 2.88Å; F314-Y317 PolarHBondContact O-N 2.91Å; Y317-V320 PolarHBondContact O-N 2.82Å; Y317-G321 PolarHBondContact O-N 3Å |
| 318 | A | 96.3 | Very high | 96 | Very high | 53 Ų | 53 | 88.7 Ų | 88.7 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F314 A315 L316 G321 L322 | F314-A318 VanDerWaalsContact O-CB 3.24Å; F314-A318 WeakPolarHBondContact O-CB 3.47Å; F314-A318 PolarHBondContact O-N 2.97Å; A315-A318 PolarHBondContact O-N 3.21Å; L316-A318 PolarHBondContact O-N 2.84Å; A318-G321 PolarHBondContact O-N 3.5Å; A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 3.1Å |
| 319 | C | 97.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 85.4 Ų | 85.4 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | A315 L316 G321 L322 W323 | A315-C319 WeakPolarHBondContact O-CB 3.15Å; A315-C319 PolarHBondContact O-N 3.24Å; L316-C319 WeakPolarHBondContact O-CB 3.09Å; L316-C319 PolarHBondContact O-N 3.07Å; C319-G321 VanDerWaalsContact C-N 3.29Å; C319-G321 PolarHBondContact O-N 2.89Å; C319-L322 PolarHBondContact O-N 3.07Å; C319-W323 VanDerWaalsContact O-CD1 3.26Å; C319-W323 PolarHBondContact O-N 3.13Å |
| 320 | V | 97 | Very high | 95.3 | Very high | 52 Ų | 52 | 83 Ų | 83 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I302 L316 Y317 L322 W323 C324 | I302-V320 HydrophobicContact CD1-CB 4.26Å; I302-V320 HydrophobicContact CD1-CG1 3.93Å; I302-V320 HydrophobicContact CD1-CG2 4.32Å; I302-V320 HydrophobicContact CG1-CG2 4.45Å; L316-V320 WeakPolarHBondContact O-CG2 3.48Å; L316-V320 PolarHBondContact O-N 3.41Å; Y317-V320 PolarHBondContact O-N 2.82Å; V320-L322 PolarHBondContact O-N 3.02Å; V320-W323 PolarHBondContact O-N 3.35Å; V320-C324 WeakPolarHBondContact O-CB 2.99Å; V320-C324 PolarHBondContact O-N 3.48Å; V320-C324 PolarHBondContact O-SG 3.43Å |
| 321 | G | 96 | Very high | 94.9 | Very high | 40 Ų | 40 | 80.1 Ų | 80.1 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y317 A318 C319 C324 Q325 | Y317-G321 PolarHBondContact O-N 3Å; A318-G321 PolarHBondContact O-N 3.5Å; C319-G321 VanDerWaalsContact C-N 3.29Å; C319-G321 PolarHBondContact O-N 2.89Å; G321-C324 PolarHBondContact O-N 2.89Å; G321-Q325 PolarHBondContact O-N 2.94Å |
| 322 | L | 97.4 | Very high | 94.4 | Very high | 129 Ų | 129 | 78 Ų | 78 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 177.3 | -70.5 | 173.7 | 0 | 0 | 0 | 112.2 | A318 C319 V320 Q325 L326 | A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 3.1Å; C319-L322 PolarHBondContact O-N 3.07Å; V320-L322 PolarHBondContact O-N 3.02Å; L322-Q325 PolarHBondContact O-N 3.21Å; L322-L326 PolarHBondContact O-N 3.21Å |
| 323 | W | 97.7 | Very high | 93.8 | Very high | 138 Ų | 138 | 74.2 Ų | 74.2 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.7 | -81 | 104.8 | 0 | 0 | 0 | 112.3 | C319 V320 Q325 L326 F327 | C319-W323 VanDerWaalsContact O-CD1 3.26Å; C319-W323 PolarHBondContact O-N 3.13Å; V320-W323 PolarHBondContact O-N 3.35Å; W323-Q325 VanDerWaalsContact C-N 3.3Å; W323-Q325 PolarHBondContact O-N 3.49Å; W323-L326 HydrophobicContact CE3-CD2 3.8Å; W323-L326 HydrophobicContact CZ3-CD2 3.67Å; W323-L326 PolarHBondContact O-N 2.74Å; W323-F327 HydrophobicContact CB-CE2 4.31Å; W323-F327 HydrophobicContact CE3-CE1 4.22Å; W323-F327 HydrophobicContact CE3-CE2 4.35Å; W323-F327 AromaticContact CE3-CZ 3.85Å; W323-F327 HydrophobicContact CE3-CZ 3.85Å; W323-F327 HydrophobicContact CZ3-CZ 4.4Å; W323-F327 WeakPolarHBondContact O-CD2 3.32Å; W323-F327 WeakPolarHBondContact O-CG 3.35Å; W323-F327 PolarHBondContact O-N 2.99Å |
| 324 | C | 96 | Very high | 93 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 172.9 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | V320 G321 F327 L328 | V320-C324 WeakPolarHBondContact O-CB 2.99Å; V320-C324 PolarHBondContact O-N 3.48Å; V320-C324 PolarHBondContact O-SG 3.43Å; G321-C324 PolarHBondContact O-N 2.89Å; C324-F327 PolarHBondContact O-N 3.36Å; C324-L328 WeakPolarHBondContact O-CB 3.44Å; C324-L328 PolarHBondContact O-N 3.02Å |
| 325 | Q | 95 | Very high | 92.1 | Very high | 109 Ų | 109 | 72 Ų | 72 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.4 | -176.6 | 61.5 | 28.4 | 0 | 0 | 111.7 | G321 L322 W323 L328 V329 | G321-Q325 PolarHBondContact O-N 2.94Å; L322-Q325 PolarHBondContact O-N 3.21Å; W323-Q325 VanDerWaalsContact C-N 3.3Å; W323-Q325 PolarHBondContact O-N 3.49Å; Q325-L328 PolarHBondContact O-N 3.16Å; Q325-V329 WeakPolarHBondContact O-CG2 3.35Å; Q325-V329 PolarHBondContact O-N 2.96Å |
| 326 | L | 96.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 42% | 0.419 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 175.7 | 177.5 | 63.5 | 0 | 0 | 0 | 111.2 | L322 W323 L328 V329 L330 | L322-L326 PolarHBondContact O-N 3.21Å; W323-L326 HydrophobicContact CE3-CD2 3.8Å; W323-L326 HydrophobicContact CZ3-CD2 3.67Å; W323-L326 PolarHBondContact O-N 2.74Å; L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 PolarHBondContact O-N 3.46Å; L326-V329 PolarHBondContact O-N 3.43Å; L326-L330 HydrophobicContact CD1-CD1 4.28Å; L326-L330 HydrophobicContact CD1-CG 4.33Å; L326-L330 HydrophobicContact CG-CD1 4.11Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.04Å |
| 327 | F | 94.9 | Very high | 90.4 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 37% | 0.373 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.1 | -65.9 | -40 | 0 | 0 | 0 | 112 | W323 C324 L330 Y331 | W323-F327 HydrophobicContact CB-CE2 4.31Å; W323-F327 HydrophobicContact CE3-CE1 4.22Å; W323-F327 HydrophobicContact CE3-CE2 4.35Å; W323-F327 AromaticContact CE3-CZ 3.85Å; W323-F327 HydrophobicContact CE3-CZ 3.85Å; W323-F327 HydrophobicContact CZ3-CZ 4.4Å; W323-F327 WeakPolarHBondContact O-CD2 3.32Å; W323-F327 WeakPolarHBondContact O-CG 3.35Å; W323-F327 PolarHBondContact O-N 2.99Å; C324-F327 PolarHBondContact O-N 3.36Å; F327-L330 PolarHBondContact O-N 3.43Å; F327-Y331 HydrophobicContact CB-CD2 4.37Å; F327-Y331 HydrophobicContact CB-CE2 3.94Å; F327-Y331 WeakPolarHBondContact O-CB 3.41Å; F327-Y331 VanDerWaalsContact O-CD2 3.25Å; F327-Y331 WeakPolarHBondContact O-CD2 3.47Å; F327-Y331 PolarHBondContact O-N 3.23Å |
| 328 | L | 91.9 | Very high | 89.2 | Confident | 105 Ų | 105 | 74 Ų | 74 | 55% | 0.55 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176.1 | -174.2 | 66.8 | 0 | 0 | 0 | 111.7 | C324 Q325 L326 Y331 A332 | C324-L328 WeakPolarHBondContact O-CB 3.44Å; C324-L328 PolarHBondContact O-N 3.02Å; Q325-L328 PolarHBondContact O-N 3.16Å; L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 PolarHBondContact O-N 3.46Å; L328-Y331 PolarHBondContact O-N 3.48Å; L328-A332 WeakPolarHBondContact O-CB 3.32Å; L328-A332 PolarHBondContact O-N 3.1Å |
| 329 | V | 89.4 | Confident | 88.1 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | Q325 L326 G333 | Q325-V329 WeakPolarHBondContact O-CG2 3.35Å; Q325-V329 PolarHBondContact O-N 2.96Å; L326-V329 PolarHBondContact O-N 3.43Å; V329-G333 WeakPolarHBondContact O-CA 3.31Å; V329-G333 PolarHBondContact O-N 3.42Å |
| 330 | L | 88.3 | Confident | 87 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 45% | 0.45 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 175.9 | -69.4 | 174.2 | 0 | 0 | 0 | 110.9 | L326 F327 A332 G333 T334 | L326-L330 HydrophobicContact CD1-CD1 4.28Å; L326-L330 HydrophobicContact CD1-CG 4.33Å; L326-L330 HydrophobicContact CG-CD1 4.11Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.04Å; F327-L330 PolarHBondContact O-N 3.43Å; L330-A332 PolarHBondContact O-N 2.97Å; L330-G333 CarbonylContact O-C 3.57Å; L330-G333 PolarHBondContact O-N 2.99Å; L330-G333 VanDerWaalsContact O-N 3.13Å; L330-T334 WeakPolarHBondContact O-CG2 3.46Å; L330-T334 PolarHBondContact O-N 3.45Å; L330-T334 PolarHBondContact O-OG1 3.3Å |
| 331 | Y | 86.8 | Confident | 85.5 | Confident | 121 Ų | 121 | 79 Ų | 79 | 48% | 0.475 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | -177.7 | -62.1 | -21.5 | 0 | 0 | 0 | 113.6 | F327 L328 E335 L336 | F327-Y331 HydrophobicContact CB-CD2 4.37Å; F327-Y331 HydrophobicContact CB-CE2 3.94Å; F327-Y331 WeakPolarHBondContact O-CB 3.41Å; F327-Y331 VanDerWaalsContact O-CD2 3.25Å; F327-Y331 WeakPolarHBondContact O-CD2 3.47Å; F327-Y331 PolarHBondContact O-N 3.23Å; L328-Y331 PolarHBondContact O-N 3.48Å; Y331-E335 PolarHBondContact O-N 3.1Å; Y331-L336 HydrophobicContact CD1-CB 4.41Å; Y331-L336 HydrophobicContact CD1-CD2 3.54Å; Y331-L336 HydrophobicContact CE1-CD2 3.79Å; Y331-L336 HydrophobicContact CG-CB 4.45Å; Y331-L336 HydrophobicContact CG-CD2 3.93Å; Y331-L336 PolarHBondContact O-N 2.95Å |
| 332 | A | 85.7 | Confident | 84 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | V204 L328 L330 T334 E335 | V204-A332 WeakPolarHBondContact CG2-O 3.08Å; L328-A332 WeakPolarHBondContact O-CB 3.32Å; L328-A332 PolarHBondContact O-N 3.1Å; L330-A332 PolarHBondContact O-N 2.97Å; A332-T334 VanDerWaalsContact C-N 3.32Å; A332-T334 PolarHBondContact O-N 2.88Å; A332-E335 PolarHBondContact O-N 2.94Å |
| 333 | G | 82 | Confident | 82.6 | Confident | 29 Ų | 29 | 77 Ų | 77 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -28.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E200 V329 L330 | E200-G333 CarbonylContact C-O 3.6Å; E200-G333 WeakPolarHBondContact CB-O 3.19Å; E200-G333 CarbonylContact O-C 3.56Å; V329-G333 WeakPolarHBondContact O-CA 3.31Å; V329-G333 PolarHBondContact O-N 3.42Å; L330-G333 CarbonylContact O-C 3.57Å; L330-G333 PolarHBondContact O-N 2.99Å; L330-G333 VanDerWaalsContact O-N 3.13Å |
| 334 | T | 79.2 | Confident | 80.6 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 6.1 | 175.6 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | E200 L330 A332 L336 | E200-T334 HydrophobicContact CG-CG2 4.28Å; E200-T334 WeakPolarHBondContact OE1-CG2 3.48Å; L330-T334 WeakPolarHBondContact O-CG2 3.46Å; L330-T334 PolarHBondContact O-N 3.45Å; L330-T334 PolarHBondContact O-OG1 3.3Å; A332-T334 VanDerWaalsContact C-N 3.32Å; A332-T334 PolarHBondContact O-N 2.88Å; T334-L336 VanDerWaalsContact C-N 3.29Å; T334-L336 PolarHBondContact O-N 2.81Å |
| 335 | E | 77 | Confident | 78.5 | Confident | 24 Ų | 24 | 83.2 Ų | 83.2 | 11% | 0.112 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 46 | -174.8 | -67.8 | 175.7 | -148.2 | 0 | 0 | 114.4 | K202 G203 Y331 A332 S337 N338 | K202-E335 PolarHBondContact N-OE1 2.89Å; G203-E335 WeakPolarHBondContact CA-OE1 3.49Å; G203-E335 PolarHBondContact N-OE1 3.44Å; Y331-E335 PolarHBondContact O-N 3.1Å; A332-E335 PolarHBondContact O-N 2.94Å; E335-S337 PolarHBondContact O-N 3.35Å; E335-N338 WeakPolarHBondContact CB-ND2 3.45Å; E335-N338 VanDerWaalsContact O-CB 3.3Å; E335-N338 WeakPolarHBondContact O-CB 3.48Å; E335-N338 PolarHBondContact O-N 3.36Å; E335-N338 PolarHBondContact OE2-ND2 3.28Å |
| 336 | L | 79.1 | Confident | 77.6 | Confident | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -61 | -21.5 | -177.4 | -157 | 74.1 | 0 | 0 | 0 | 112.4 | Y331 T334 N338 I339 | Y331-L336 HydrophobicContact CD1-CB 4.41Å; Y331-L336 HydrophobicContact CD1-CD2 3.54Å; Y331-L336 HydrophobicContact CE1-CD2 3.79Å; Y331-L336 HydrophobicContact CG-CB 4.45Å; Y331-L336 HydrophobicContact CG-CD2 3.93Å; Y331-L336 PolarHBondContact O-N 2.95Å; T334-L336 VanDerWaalsContact C-N 3.29Å; T334-L336 PolarHBondContact O-N 2.81Å; L336-N338 PolarHBondContact O-N 3.28Å; L336-I339 HydrophobicContact CD1-CD1 3.36Å; L336-I339 HydrophobicContact CD1-CG1 4.03Å; L336-I339 HydrophobicContact CG-CD1 4.07Å; L336-I339 HydrophobicContact CG-CG1 4.33Å; L336-I339 VanDerWaalsContact O-CB 3.24Å; L336-I339 WeakPolarHBondContact O-CB 3.19Å; L336-I339 WeakPolarHBondContact O-CG1 3.38Å; L336-I339 PolarHBondContact O-N 3.03Å |
| 337 | S | 78.2 | Confident | 76.6 | Confident | 86 Ų | 86 | 82.1 Ų | 82.1 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -56.1 | -29.3 | 170.6 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | E335 I339 M340 | E335-S337 PolarHBondContact O-N 3.35Å; S337-I339 PolarHBondContact O-N 3.42Å; S337-M340 WeakPolarHBondContact O-CB 3.16Å; S337-M340 PolarHBondContact O-N 3.32Å |
| 338 | N | 72.2 | Confident | 75.6 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -64.8 | -21.4 | 176.8 | -69.9 | -20.2 | 0 | 0 | 0 | 112.3 | L196 E335 L336 M340 K341 | L196-N338 HydrophobicContact CD2-CB 4.41Å; E335-N338 WeakPolarHBondContact CB-ND2 3.45Å; E335-N338 VanDerWaalsContact O-CB 3.3Å; E335-N338 WeakPolarHBondContact O-CB 3.48Å; E335-N338 PolarHBondContact O-N 3.36Å; E335-N338 PolarHBondContact OE2-ND2 3.28Å; L336-N338 PolarHBondContact O-N 3.28Å; N338-M340 PolarHBondContact O-N 3.15Å; N338-K341 WeakPolarHBondContact O-CD 3.48Å; N338-K341 WeakPolarHBondContact O-CE 2.91Å; N338-K341 WeakPolarHBondContact O-CG 3.47Å; N338-K341 PolarHBondContact O-N 3.27Å |
| 339 | I | 72.9 | Confident | 74.7 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -66.2 | -26 | 174.1 | -54.2 | -157.8 | 0 | 0 | 0 | 111.3 | L193 L336 S337 K341 W342 | L193-I339 HydrophobicContact CD2-CD1 4.27Å; L336-I339 HydrophobicContact CD1-CD1 3.36Å; L336-I339 HydrophobicContact CD1-CG1 4.03Å; L336-I339 HydrophobicContact CG-CD1 4.07Å; L336-I339 HydrophobicContact CG-CG1 4.33Å; L336-I339 VanDerWaalsContact O-CB 3.24Å; L336-I339 WeakPolarHBondContact O-CB 3.19Å; L336-I339 WeakPolarHBondContact O-CG1 3.38Å; L336-I339 PolarHBondContact O-N 3.03Å; S337-I339 PolarHBondContact O-N 3.42Å; I339-K341 PolarHBondContact O-N 3.3Å; I339-K341 VanDerWaalsContact O-N 3.08Å; I339-W342 HydrophobicContact CB-CE3 3.95Å; I339-W342 HydrophobicContact CB-CZ3 3.83Å; I339-W342 HydrophobicContact CD1-CZ3 4.27Å; I339-W342 HydrophobicContact CG1-CE3 4.29Å; I339-W342 HydrophobicContact CG1-CZ3 3.66Å; I339-W342 HydrophobicContact CG2-CE3 3.64Å; I339-W342 HydrophobicContact CG2-CZ3 3.88Å; I339-W342 PolarHBondContact O-N 2.92Å |
| 340 | M | 72.6 | Confident | 73.7 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 57% | 0.567 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.7 | -22.1 | 178.7 | -70.7 | -63.5 | -65.5 | 0 | 0 | 113.5 | S337 N338 W342 A343 T344 | S337-M340 WeakPolarHBondContact O-CB 3.16Å; S337-M340 PolarHBondContact O-N 3.32Å; N338-M340 PolarHBondContact O-N 3.15Å; M340-W342 PolarHBondContact O-N 2.97Å; M340-A343 HydrophobicContact CE-CB 4.33Å; M340-A343 PolarHBondContact O-N 3.09Å; M340-A343 VanDerWaalsContact O-N 3.07Å; M340-A343 HydrophobicContact SD-CB 4.18Å; M340-T344 PolarHBondContact O-N 3.39Å; M340-T344 PolarHBondContact O-OG1 2.79Å |
| 341 | K | 67.5 | Low | 72.8 | Confident | 85 Ų | 85 | 79.9 Ų | 79.9 | 37% | 0.37 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -15.9 | 173.5 | 80.4 | -164.2 | 173.3 | 172.7 | 0 | 113.2 | N338 I339 | N338-K341 WeakPolarHBondContact O-CD 3.48Å; N338-K341 WeakPolarHBondContact O-CE 2.91Å; N338-K341 WeakPolarHBondContact O-CG 3.47Å; N338-K341 PolarHBondContact O-N 3.27Å; I339-K341 PolarHBondContact O-N 3.3Å; I339-K341 VanDerWaalsContact O-N 3.08Å |
| 342 | W | 64.4 | Low | 71.8 | Confident | 51 Ų | 51 | 77 Ų | 77 | 19% | 0.193 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -99.4 | -18.2 | 172.7 | -51.5 | -49.2 | 0 | 0 | 0 | 113.1 | H185 A189 L193 I339 M340 | H185-W342 AromaticContact CE1-CD1 3.41Å; H185-W342 VanDerWaalsContact CE1-CD1 3.41Å; H185-W342 AromaticContact CE1-NE1 3.32Å; H185-W342 PolarHBondContact CE1-NE1 2.93Å; H185-W342 VanDerWaalsContact CE1-NE1 3.32Å; H185-W342 AromaticContact ND1-CD1 3.36Å; H185-W342 AromaticContact ND1-NE1 3.56Å; A189-W342 HydrophobicContact CB-CD2 4.1Å; A189-W342 HydrophobicContact CB-CH2 4.15Å; A189-W342 HydrophobicContact CB-CZ2 3.19Å; L193-W342 HydrophobicContact CD1-CE3 4.49Å; L193-W342 HydrophobicContact CD1-CH2 3.68Å; L193-W342 HydrophobicContact CD1-CZ3 3.58Å; L193-W342 HydrophobicContact CD2-CH2 3.85Å; L193-W342 HydrophobicContact CD2-CZ3 3.93Å; L193-W342 HydrophobicContact CG-CH2 3.48Å; L193-W342 VanDerWaalsContact CG-CH2 3.48Å; L193-W342 HydrophobicContact CG-CZ2 4.45Å; L193-W342 HydrophobicContact CG-CZ3 3.8Å; I339-W342 HydrophobicContact CB-CE3 3.95Å; I339-W342 HydrophobicContact CB-CZ3 3.83Å; I339-W342 HydrophobicContact CD1-CZ3 4.27Å; I339-W342 HydrophobicContact CG1-CE3 4.29Å; I339-W342 HydrophobicContact CG1-CZ3 3.66Å; I339-W342 HydrophobicContact CG2-CE3 3.64Å; I339-W342 HydrophobicContact CG2-CZ3 3.88Å; I339-W342 PolarHBondContact O-N 2.92Å; M340-W342 PolarHBondContact O-N 2.97Å |
| 343 | A | 66.9 | Low | 70.7 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -78.9 | -33.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M340 | M340-A343 HydrophobicContact CE-CB 4.33Å; M340-A343 PolarHBondContact O-N 3.09Å; M340-A343 VanDerWaalsContact O-N 3.07Å; M340-A343 HydrophobicContact SD-CB 4.18Å |
| 344 | T | 55.8 | Low | 69.8 | Low | 100 Ų | 100 | 83.4 Ų | 83.4 | 61% | 0.613 | 43% | 0.432 | S | S | * | . | trans | -86.8 | 127 | 178.9 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | M340 | M340-T344 PolarHBondContact O-N 3.39Å; M340-T344 PolarHBondContact O-OG1 2.79Å | ||
| 345 | R | 51.4 | Low | 68.9 | Low | 246 Ų | 246 | 88.2 Ų | 88.2 | 93% | 0.928 | 45% | 0.454 | S | S | * | . | trans | -41.3 | 0 | -177.4 | 176.9 | 179.7 | 173.9 | -178.9 | 0.1 | 116.3 |
Retrieved 345 of 345 residues in 635.1 ms
(Link to these results)