| 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 | 44.7 | Very low | 84.7 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | 0 | 143.4 | 0 | -62.9 | 177.2 | -174.9 | 0 | 0 | 108.6 | K1076 N1080 | M1-K1076 VanDerWaalsContact CE-C 3.5Å; M1-K1076 HydrophobicContact CE-CB 3.5Å; M1-K1076 VanDerWaalsContact CE-CB 3.5Å; M1-K1076 HydrophobicContact CE-CD 4.14Å; M1-K1076 HydrophobicContact CE-CG 4Å; M1-K1076 WeakPolarHBondContact CE-O 3.47Å; M1-N1080 VanDerWaalsContact CE-ND2 3.33Å; M1-N1080 WeakPolarHBondContact CE-ND2 3.4Å | |||
| 2 | T | 57.9 | Low | 85.1 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 138.7 | 162.8 | 38.7 | 0 | 0 | 0 | 0 | 109.8 | Q538 | T2-Q538 HydrophobicContact CG2-CB 4Å; T2-Q538 WeakPolarHBondContact CG2-O 3.46Å |
| 3 | V | 78.4 | Confident | 85.5 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 76% | 0.764 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -76 | 134.8 | 172.6 | -180 | 0 | 0 | 0 | 0 | 107.8 | ||
| 4 | P | 89 | Confident | 85.6 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 139.7 | 176.3 | -15.2 | 25.1 | 0 | 0 | 0 | 111.6 | E6 H24 R26 | P4-E6 PolarHBondContact O-N 2.86Å; P4-H24 WeakPolarHBondContact CA-O 3.09Å; P4-R26 HydrophobicContact CB-CG 4.1Å |
| 5 | E | 95.4 | Very high | 85.7 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 114.4 | 168.8 | 178.6 | 176.2 | -159.8 | 0 | 0 | 109.5 | I7 Y21 S22 H24 V25 R26 | E5-I7 HydrophobicContact CG-CG1 4.18Å; E5-Y21 WeakPolarHBondContact OE1-CD2 3.44Å; E5-Y21 PolarHBondContact OE1-N 3.5Å; E5-Y21 VanDerWaalsContact OE1-N 3.11Å; E5-Y21 PolarHBondContact OE2-N 3.45Å; E5-S22 WeakPolarHBondContact OE2-CB 3.5Å; E5-S22 PolarHBondContact OE2-N 3.37Å; E5-H24 PolarHBondContact N-O 3.48Å; E5-V25 CarbonylContact O-C 3.41Å; E5-V25 WeakPolarHBondContact O-CA 3.12Å; E5-R26 PolarHBondContact O-N 3.47Å |
| 6 | E | 96.2 | Very high | 86.2 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 100.5 | 179.6 | -61.1 | -158 | 157.5 | 0 | 0 | 111.8 | P4 K8 R26 Y28 | P4-E6 PolarHBondContact O-N 2.86Å; E6-K8 VanDerWaalsContact OE2-CE 3.26Å; E6-K8 WeakPolarHBondContact OE2-CE 3.35Å; E6-K8 IonicContact OE2-NZ 2.73Å; E6-K8 PolarHBondContact OE2-NZ 3.22Å; E6-R26 HydrophobicContact CG-CB 4.42Å; E6-R26 IonicContact OE1-NH1 2.6Å; E6-R26 PolarHBondContact OE1-NH1 3.43Å; E6-Y28 HydrophobicContact CB-CD2 4.39Å; E6-Y28 HydrophobicContact CB-CE2 3.99Å; E6-Y28 HydrophobicContact CG-CE2 3.95Å; E6-Y28 PolarHBondContact OE1-OH 3.34Å |
| 7 | I | 96.8 | Very high | 86.7 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.7 | 174.7 | -61.3 | -175.2 | 0 | 0 | 0 | 108.7 | E5 F9 R18 G19 I20 V25 R26 Y28 I455 | E5-I7 HydrophobicContact CG-CG1 4.18Å; I7-F9 HydrophobicContact CG2-CD2 4.45Å; I7-F9 HydrophobicContact CG2-CE1 4.41Å; I7-F9 HydrophobicContact CG2-CE2 3.92Å; I7-F9 HydrophobicContact CG2-CZ 3.9Å; I7-R18 HydrophobicContact CG2-CB 3.94Å; I7-R18 HydrophobicContact CG2-CG 3.92Å; I7-G19 WeakPolarHBondContact CD1-O 3.46Å; I7-I20 HydrophobicContact CD1-CG1 3.87Å; I7-V25 HydrophobicContact CD1-CG1 3.64Å; I7-V25 HydrophobicContact CG1-CG1 3.94Å; I7-R26 PolarHBondContact N-O 3.16Å; I7-Y28 PolarHBondContact O-N 3.34Å; I7-I455 HydrophobicContact CD1-CG2 3.64Å; I7-I455 HydrophobicContact CG2-CG2 4.19Å |
| 8 | K | 95.5 | Very high | 87.2 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.6 | 179.5 | -72.9 | 159.8 | -175.1 | 164.6 | 0 | 110.1 | E6 Y28 | E6-K8 VanDerWaalsContact OE2-CE 3.26Å; E6-K8 WeakPolarHBondContact OE2-CE 3.35Å; E6-K8 IonicContact OE2-NZ 2.73Å; E6-K8 PolarHBondContact OE2-NZ 3.22Å; K8-Y28 HydrophobicContact CG-CD2 3.85Å; K8-Y28 HydrophobicContact CG-CG 3.98Å |
| 9 | F | 95.5 | Very high | 87.6 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | trans | -95.9 | 140.2 | 178.6 | -69.7 | -69.6 | 0 | 0 | 0 | 112.4 | I7 N16 R18 V27 Y28 S30 Y417 I455 E457 | I7-F9 HydrophobicContact CG2-CD2 4.45Å; I7-F9 HydrophobicContact CG2-CE1 4.41Å; I7-F9 HydrophobicContact CG2-CE2 3.92Å; I7-F9 HydrophobicContact CG2-CZ 3.9Å; F9-N16 WeakPolarHBondContact CE1-O 3.31Å; F9-R18 HydrophobicContact CD1-CG 4.35Å; F9-R18 HydrophobicContact CE1-CB 4.45Å; F9-R18 HydrophobicContact CE1-CG 3.76Å; F9-R18 HydrophobicContact CZ-CG 4.38Å; F9-V27 HydrophobicContact CD2-CG1 4.23Å; F9-V27 HydrophobicContact CE2-CG1 3.81Å; F9-Y28 PolarHBondContact N-O 2.95Å; F9-S30 VanDerWaalsContact O-CA 3.32Å; F9-S30 WeakPolarHBondContact O-CA 3.37Å; F9-Y417 HydrophobicContact CD2-CE1 4.07Å; F9-Y417 HydrophobicContact CE2-CD1 4.25Å; F9-Y417 AromaticContact CE2-CE1 3.89Å; F9-Y417 HydrophobicContact CE2-CE1 3.89Å; F9-I455 HydrophobicContact CE2-CD1 4.41Å; F9-I455 HydrophobicContact CE2-CG1 4.4Å; F9-I455 HydrophobicContact CZ-CG1 4.13Å; F9-I455 HydrophobicContact CZ-CG2 4.06Å; F9-E457 HydrophobicContact CB-CB 4.18Å; F9-E457 VanDerWaalsContact CB-CD 3.46Å; F9-E457 HydrophobicContact CB-CG 4.4Å; F9-E457 VanDerWaalsContact CB-OE2 3.23Å; F9-E457 WeakPolarHBondContact CB-OE2 3.04Å; F9-E457 HydrophobicContact CD1-CB 3.67Å; F9-E457 HydrophobicContact CD2-CB 3.7Å; F9-E457 HydrophobicContact CD2-CG 4.3Å; F9-E457 HydrophobicContact CE1-CB 3.86Å; F9-E457 HydrophobicContact CE2-CB 3.87Å; F9-E457 HydrophobicContact CG-CB 3.58Å; F9-E457 HydrophobicContact CG-CG 4.25Å; F9-E457 HydrophobicContact CZ-CB 3.94Å | ||
| 10 | S | 92.1 | Very high | 88 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | trans | -88 | -20 | 175.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | S30 | S10-S30 VanDerWaalsContact C-OG 3.22Å; S10-S30 PolarHBondContact O-OG 3.17Å | ||
| 11 | G | 89.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 70.7 | 46.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S30 K32 | G11-S30 WeakPolarHBondContact CA-OG 3.02Å; G11-S30 PolarHBondContact N-OG 3.08Å; G11-K32 WeakPolarHBondContact O-CD 3.39Å; G11-K32 PolarHBondContact O-NZ 2.96Å |
| 12 | N | 89.8 | Confident | 90.7 | Very high | 78 Ų | 78 | 55 Ų | 55 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | trans | -125.1 | 135.5 | 170.5 | -178 | 23.6 | 0 | 0 | 0 | 108.9 | E14 E15 N16 | N12-E14 PolarHBondContact O-N 3.21Å; N12-E15 CarbonylContact O-C 3.6Å; N12-E15 PolarHBondContact O-N 3.44Å; N12-N16 WeakPolarHBondContact O-CB 3.49Å; N12-N16 PolarHBondContact O-N 3.38Å | ||
| 13 | D | 90 | Very high | 92.4 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10 | -174.3 | -84.6 | -41.5 | 0 | 0 | 0 | 115.1 | N16 S43 C44 K45 | D13-N16 WeakPolarHBondContact CA-ND2 3.46Å; D13-N16 VanDerWaalsContact O-CG 3.31Å; D13-N16 PolarHBondContact O-ND2 3.44Å; D13-N16 VanDerWaalsContact O-ND2 3.15Å; D13-N16 PolarHBondContact O-OD1 2.82Å; D13-N16 PolarHBondContact OD1-ND2 2.86Å; D13-N16 VanDerWaalsContact OD1-ND2 3.12Å; D13-S43 VanDerWaalsContact OD1-CB 3.31Å; D13-S43 WeakPolarHBondContact OD1-CB 3.33Å; D13-S43 PolarHBondContact OD1-OG 3.25Å; D13-S43 WeakPolarHBondContact OD2-CA 3.39Å; D13-S43 PolarHBondContact OD2-OG 3.49Å; D13-C44 PolarHBondContact OD2-N 3.05Å; D13-C44 PolarHBondContact OD2-SG 3.47Å; D13-C44 VanDerWaalsContact OD2-SG 3.34Å; D13-K45 HydrophobicContact CB-CG 4.4Å; D13-K45 WeakPolarHBondContact O-CE 3.42Å; D13-K45 PolarHBondContact O-NZ 3.26Å |
| 14 | E | 87.4 | Confident | 93.2 | Very high | 140 Ų | 140 | 49.6 Ų | 49.6 | 65% | 0.654 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16.1 | 173.9 | -54.1 | -49.1 | 128.3 | 0 | 0 | 112.7 | N12 K45 | N12-E14 PolarHBondContact O-N 3.21Å; E14-K45 IonicContact OE1-NZ 2.78Å; E14-K45 PolarHBondContact OE1-NZ 3.02Å |
| 15 | E | 87.2 | Confident | 93.6 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -124.7 | 22.8 | 175.6 | -75.9 | -165.7 | -112.4 | 0 | 0 | 112 | N12 I17 R18 | N12-E15 CarbonylContact O-C 3.6Å; N12-E15 PolarHBondContact O-N 3.44Å; E15-I17 VanDerWaalsContact C-N 3.25Å; E15-I17 PolarHBondContact O-N 3.32Å; E15-R18 IonicContact OE2-CZ 2.64Å; E15-R18 IonicContact OE2-NH1 3.67Å; E15-R18 PolarHBondContact OE2-NH1 3.1Å; E15-R18 IonicContact OE2-NH2 3.67Å; E15-R18 PolarHBondContact OE2-NH2 2.82Å |
| 16 | N | 92.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | trans | -72.6 | -15.3 | -176.1 | 60.4 | 10.9 | 0 | 0 | 0 | 113.7 | F9 N12 D13 G456 E457 | F9-N16 WeakPolarHBondContact CE1-O 3.31Å; N12-N16 WeakPolarHBondContact O-CB 3.49Å; N12-N16 PolarHBondContact O-N 3.38Å; D13-N16 WeakPolarHBondContact CA-ND2 3.46Å; D13-N16 VanDerWaalsContact O-CG 3.31Å; D13-N16 PolarHBondContact O-ND2 3.44Å; D13-N16 VanDerWaalsContact O-ND2 3.15Å; D13-N16 PolarHBondContact O-OD1 2.82Å; D13-N16 PolarHBondContact OD1-ND2 2.86Å; D13-N16 VanDerWaalsContact OD1-ND2 3.12Å; N16-G456 CarbonylContact O-C 3.54Å; N16-G456 WeakPolarHBondContact O-CA 3.36Å; N16-E457 VanDerWaalsContact CB-O 3.28Å; N16-E457 WeakPolarHBondContact CB-O 3.49Å; N16-E457 PolarHBondContact O-N 3Å | ||
| 17 | I | 95 | Very high | 93.7 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.7 | -179.6 | -68.2 | 156.9 | 0 | 0 | 0 | 110.7 | E15 I455 F518 L520 | E15-I17 VanDerWaalsContact C-N 3.25Å; E15-I17 PolarHBondContact O-N 3.32Å; I17-I455 WeakPolarHBondContact CA-O 3.22Å; I17-F518 HydrophobicContact CD1-CB 4.21Å; I17-F518 HydrophobicContact CD1-CD2 3.77Å; I17-F518 HydrophobicContact CD1-CG 4.38Å; I17-L520 HydrophobicContact CD1-CD2 4.18Å; I17-L520 HydrophobicContact CG2-CD2 3.92Å |
| 18 | R | 95.6 | Very high | 93.7 | Very high | 82 Ų | 82 | 49 Ų | 49 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146 | 175 | -60.4 | -64.8 | -164.1 | -150.9 | 1.9 | 110.2 | I7 F9 E15 S454 I455 | I7-R18 HydrophobicContact CG2-CB 3.94Å; I7-R18 HydrophobicContact CG2-CG 3.92Å; F9-R18 HydrophobicContact CD1-CG 4.35Å; F9-R18 HydrophobicContact CE1-CB 4.45Å; F9-R18 HydrophobicContact CE1-CG 3.76Å; F9-R18 HydrophobicContact CZ-CG 4.38Å; E15-R18 IonicContact OE2-CZ 2.64Å; E15-R18 IonicContact OE2-NH1 3.67Å; E15-R18 PolarHBondContact OE2-NH1 3.1Å; E15-R18 IonicContact OE2-NH2 3.67Å; E15-R18 PolarHBondContact OE2-NH2 2.82Å; R18-S454 CarbonylContact O-C 3.6Å; R18-S454 WeakPolarHBondContact O-CA 3.02Å; R18-S454 WeakPolarHBondContact O-CB 3.43Å; R18-I455 PolarHBondContact N-O 3.4Å; R18-I455 PolarHBondContact O-N 3.25Å |
| 19 | G | 94.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 164.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I7 | I7-G19 WeakPolarHBondContact CD1-O 3.46Å |
| 20 | I | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -122.3 | 130.2 | 167.6 | -64.7 | 166.5 | 0 | 0 | 0 | 107.2 | I7 V25 Q369 F452 I453 I455 | I7-I20 HydrophobicContact CD1-CG1 3.87Å; I20-V25 HydrophobicContact CG2-CG2 3.65Å; I20-Q369 VanDerWaalsContact CG2-NE2 3.3Å; I20-F452 HydrophobicContact CD1-CB 3.87Å; I20-I453 PolarHBondContact N-O 3.36Å; I20-I455 HydrophobicContact CD1-CB 4.21Å; I20-I455 HydrophobicContact CD1-CG2 4.14Å; I20-I455 HydrophobicContact CG1-CG2 4.1Å | ||
| 21 | Y | 94.2 | Very high | 93.6 | Very high | 136 Ų | 136 | 45 Ų | 45 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | trans | -128.8 | -5.2 | -174.1 | -57.3 | -78.3 | 0 | 0 | 0 | 113.6 | E5 Q538 | E5-Y21 WeakPolarHBondContact OE1-CD2 3.44Å; E5-Y21 PolarHBondContact OE1-N 3.5Å; E5-Y21 VanDerWaalsContact OE1-N 3.11Å; E5-Y21 PolarHBondContact OE2-N 3.45Å; Y21-Q538 PolarHBondContact O-NE2 3.24Å | ||
| 22 | S | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -118.2 | 160.3 | 177.4 | -164 | 0 | 0 | 0 | 0 | 114.5 | E5 H24 Q369 Q538 | E5-S22 WeakPolarHBondContact OE2-CB 3.5Å; E5-S22 PolarHBondContact OE2-N 3.37Å; S22-H24 VanDerWaalsContact C-N 3.32Å; S22-H24 PolarHBondContact OG-N 3.3Å; S22-Q369 PolarHBondContact O-NE2 2.88Å; S22-Q538 VanDerWaalsContact CB-OE1 3.31Å; S22-Q538 PolarHBondContact OG-OE1 2.64Å |
| 23 | S | 94.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -78.9 | -12.4 | 169.8 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | Q369 V370 | S23-Q369 CarbonylContact O-C 3.5Å; S23-Q369 VanDerWaalsContact O-CA 3.3Å; S23-Q369 WeakPolarHBondContact O-CA 3.2Å; S23-V370 PolarHBondContact O-N 2.89Å |
| 24 | H | 96.1 | Very high | 94 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 113.7 | 173.5 | -176.7 | 42.7 | 0 | 0 | 0 | 111 | P4 E5 S22 V370 | P4-H24 WeakPolarHBondContact CA-O 3.09Å; E5-H24 PolarHBondContact N-O 3.48Å; S22-H24 VanDerWaalsContact C-N 3.32Å; S22-H24 PolarHBondContact OG-N 3.3Å; H24-V370 WeakPolarHBondContact CA-O 3.46Å |
| 25 | V | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.9 | -170 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | E5 I7 I20 V27 V370 I371 Q372 | E5-V25 CarbonylContact O-C 3.41Å; E5-V25 WeakPolarHBondContact O-CA 3.12Å; I7-V25 HydrophobicContact CD1-CG1 3.64Å; I7-V25 HydrophobicContact CG1-CG1 3.94Å; I20-V25 HydrophobicContact CG2-CG2 3.65Å; V25-V27 HydrophobicContact CG1-CG2 4.22Å; V25-V370 PolarHBondContact N-O 3.21Å; V25-I371 HydrophobicContact CB-CG1 4.4Å; V25-Q372 PolarHBondContact O-N 3.44Å |
| 26 | R | 97.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.5 | 169.6 | -70.9 | -175.6 | -177.2 | 153.6 | 4 | 110.2 | P4 E5 E6 I7 Y28 Q372 | P4-R26 HydrophobicContact CB-CG 4.1Å; E5-R26 PolarHBondContact O-N 3.47Å; E6-R26 HydrophobicContact CG-CB 4.42Å; E6-R26 IonicContact OE1-NH1 2.6Å; E6-R26 PolarHBondContact OE1-NH1 3.43Å; I7-R26 PolarHBondContact N-O 3.16Å; R26-Y28 HydrophobicContact CB-CD2 4.36Å; R26-Y28 HydrophobicContact CB-CE2 3.66Å; R26-Q372 CarbonylContact C-O 3.55Å; R26-Q372 WeakPolarHBondContact CA-O 3.46Å |
| 27 | V | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.5 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | F9 V25 I371 Q372 F373 C374 Y417 I455 | F9-V27 HydrophobicContact CD2-CG1 4.23Å; F9-V27 HydrophobicContact CE2-CG1 3.81Å; V25-V27 HydrophobicContact CG1-CG2 4.22Å; V27-I371 HydrophobicContact CG2-CG2 3.91Å; V27-Q372 PolarHBondContact N-O 3.13Å; V27-F373 HydrophobicContact CB-CD1 3.96Å; V27-F373 HydrophobicContact CB-CE1 4.21Å; V27-F373 HydrophobicContact CG1-CD1 4Å; V27-F373 HydrophobicContact CG1-CE1 4.05Å; V27-F373 HydrophobicContact CG2-CE1 4.46Å; V27-F373 CarbonylContact O-C 3.58Å; V27-C374 PolarHBondContact O-N 3.12Å; V27-Y417 HydrophobicContact CG1-CE1 4.34Å; V27-I455 HydrophobicContact CG1-CD1 3.94Å; V27-I455 HydrophobicContact CG2-CD1 3.8Å |
| 28 | Y | 96.2 | Very high | 93.2 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.4 | 176.1 | -67 | -92.4 | 0 | 0 | 0 | 109.6 | E6 I7 K8 F9 R26 C374 | E6-Y28 HydrophobicContact CB-CD2 4.39Å; E6-Y28 HydrophobicContact CB-CE2 3.99Å; E6-Y28 HydrophobicContact CG-CE2 3.95Å; E6-Y28 PolarHBondContact OE1-OH 3.34Å; I7-Y28 PolarHBondContact O-N 3.34Å; K8-Y28 HydrophobicContact CG-CD2 3.85Å; K8-Y28 HydrophobicContact CG-CG 3.98Å; F9-Y28 PolarHBondContact N-O 2.95Å; R26-Y28 HydrophobicContact CB-CD2 4.36Å; R26-Y28 HydrophobicContact CB-CE2 3.66Å; Y28-C374 HydrophobicContact CD1-CB 3.62Å; Y28-C374 HydrophobicContact CD2-CB 4.36Å; Y28-C374 HydrophobicContact CE1-CB 3.41Å; Y28-C374 VanDerWaalsContact CE1-CB 3.41Å; Y28-C374 HydrophobicContact CE2-CB 4.18Å; Y28-C374 HydrophobicContact CG-CB 4.1Å |
| 29 | P | 94.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 150.5 | -178.6 | 30 | -36.9 | 0 | 0 | 0 | 111.9 | R413 Y417 E457 | P29-R413 VanDerWaalsContact CG-CZ 3.47Å; P29-Y417 VanDerWaalsContact CB-OH 3.27Å; P29-Y417 WeakPolarHBondContact CB-OH 3.3Å; P29-E457 WeakPolarHBondContact CA-OE1 3.39Å |
| 30 | S | 93.8 | Very high | 92 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.6 | 170.8 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | F9 S10 G11 K32 S33 E457 | F9-S30 VanDerWaalsContact O-CA 3.32Å; F9-S30 WeakPolarHBondContact O-CA 3.37Å; S10-S30 VanDerWaalsContact C-OG 3.22Å; S10-S30 PolarHBondContact O-OG 3.17Å; G11-S30 WeakPolarHBondContact CA-OG 3.02Å; G11-S30 PolarHBondContact N-OG 3.08Å; S30-K32 PolarHBondContact O-N 2.97Å; S30-K32 PolarHBondContact OG-N 3.26Å; S30-K32 VanDerWaalsContact OG-N 3.17Å; S30-S33 WeakPolarHBondContact O-CB 3.26Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.25Å; S30-E457 WeakPolarHBondContact CB-OE2 3.25Å; S30-E457 PolarHBondContact N-OE1 3.21Å; S30-E457 VanDerWaalsContact N-OE1 3.09Å; S30-E457 PolarHBondContact N-OE2 3.23Å |
| 31 | A | 92 | Very high | 91.6 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 65% | 0.645 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -54.8 | -32.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S33 A34 C37 | A31-S33 PolarHBondContact O-N 3.48Å; A31-A34 VanDerWaalsContact O-CB 3.28Å; A31-A34 WeakPolarHBondContact O-CB 3.38Å; A31-A34 PolarHBondContact O-N 3.35Å; A31-C37 WeakPolarHBondContact O-CB 3.38Å |
| 32 | K | 93 | Very high | 91.4 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62.6 | -26 | 178.2 | -60.8 | -177.3 | -172.6 | 174.2 | 0 | 113.6 | G11 S30 A34 R414 L459 | G11-K32 WeakPolarHBondContact O-CD 3.39Å; G11-K32 PolarHBondContact O-NZ 2.96Å; S30-K32 PolarHBondContact O-N 2.97Å; S30-K32 PolarHBondContact OG-N 3.26Å; S30-K32 VanDerWaalsContact OG-N 3.17Å; K32-A34 VanDerWaalsContact C-N 3.28Å; K32-A34 PolarHBondContact O-N 3.4Å; K32-R414 PolarHBondContact O-NH2 2.88Å; K32-R414 VanDerWaalsContact O-NH2 3.16Å; K32-L459 HydrophobicContact CB-CD1 3.7Å; K32-L459 HydrophobicContact CD-CD1 4.03Å |
| 33 | S | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -72.3 | -17.7 | 176.5 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | S30 A31 R413 R414 | S30-S33 WeakPolarHBondContact O-CB 3.26Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.25Å; A31-S33 PolarHBondContact O-N 3.48Å; S33-R413 CarbonylContact O-C 3.52Å; S33-R413 WeakPolarHBondContact O-CA 3.35Å; S33-R413 WeakPolarHBondContact O-CB 3.42Å; S33-R413 WeakPolarHBondContact OG-CD 3.45Å; S33-R413 PolarHBondContact OG-NH1 3.48Å; S33-R414 PolarHBondContact O-N 3.43Å |
| 34 | A | 91.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 141.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111 | A31 K32 D36 C37 R414 | A31-A34 VanDerWaalsContact O-CB 3.28Å; A31-A34 WeakPolarHBondContact O-CB 3.38Å; A31-A34 PolarHBondContact O-N 3.35Å; K32-A34 VanDerWaalsContact C-N 3.28Å; K32-A34 PolarHBondContact O-N 3.4Å; A34-D36 VanDerWaalsContact C-N 3.25Å; A34-D36 WeakPolarHBondContact CB-OD1 3.21Å; A34-D36 PolarHBondContact O-N 2.8Å; A34-C37 HydrophobicContact CB-CB 4.4Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.82Å; A34-C37 VanDerWaalsContact O-N 3.12Å; A34-R414 VanDerWaalsContact O-CZ 3.23Å; A34-R414 PolarHBondContact O-NH2 3.29Å |
| 35 | L | 88.3 | Confident | 91.2 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.2 | -170.3 | -60 | 174 | 0 | 0 | 0 | 113.4 | P378 L382 L386 I388 T412 R414 P463 | L35-P378 HydrophobicContact CD1-CG 4.05Å; L35-L382 HydrophobicContact CB-CD2 3.99Å; L35-L386 HydrophobicContact CD1-CD1 3.72Å; L35-I388 HydrophobicContact CD1-CD1 4.37Å; L35-T412 WeakPolarHBondContact CD1-O 3.37Å; L35-T412 VanDerWaalsContact CG-O 3.24Å; L35-T412 WeakPolarHBondContact CG-O 3.5Å; L35-R414 HydrophobicContact CD2-CG 4.23Å; L35-R414 PolarHBondContact O-NH1 2.99Å; L35-P463 HydrophobicContact CD2-CB 4.46Å; L35-P463 HydrophobicContact CD2-CG 3.4Å; L35-P463 VanDerWaalsContact CD2-CG 3.4Å |
| 36 | D | 85 | Confident | 91 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -16.6 | 178.6 | 54.5 | -22.6 | 0 | 0 | 0 | 114.1 | A34 R38 L382 | A34-D36 VanDerWaalsContact C-N 3.25Å; A34-D36 WeakPolarHBondContact CB-OD1 3.21Å; A34-D36 PolarHBondContact O-N 2.8Å; D36-R38 PolarHBondContact O-N 3.09Å; D36-L382 HydrophobicContact CB-CD2 4.12Å |
| 37 | C | 87.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | trans | -63.8 | 130.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | A31 A34 R414 | A31-C37 WeakPolarHBondContact O-CB 3.38Å; A34-C37 HydrophobicContact CB-CB 4.4Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.82Å; A34-C37 VanDerWaalsContact O-N 3.12Å; C37-R414 PolarHBondContact O-NH1 2.98Å; C37-R414 PolarHBondContact O-NH2 3.35Å | ||
| 38 | R | 84.5 | Confident | 90.6 | Very high | 237 Ų | 237 | 60.3 Ų | 60.3 | 89% | 0.894 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -79 | -26.7 | -177.4 | -62.6 | -177.5 | -178 | 177.9 | 2 | 113.7 | D36 V40 | D36-R38 PolarHBondContact O-N 3.09Å; R38-V40 VanDerWaalsContact C-N 3.27Å; R38-V40 PolarHBondContact O-N 2.86Å |
| 39 | D | 84.6 | Confident | 90.3 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | trans | -83.2 | 68.3 | -176.2 | -64.2 | -25.9 | 0 | 0 | 0 | 111.7 | S41 | D39-S41 PolarHBondContact O-N 3.11Š| ||
| 40 | V | 82 | Confident | 90.2 | Very high | 64 Ų | 64 | 67.3 Ų | 67.3 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | trans | -77.7 | 81.6 | -174.7 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | R38 | R38-V40 VanDerWaalsContact C-N 3.27Å; R38-V40 PolarHBondContact O-N 2.86Å | ||
| 41 | S | 86 | Confident | 90.1 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 133.3 | 168.1 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | D39 L459 | D39-S41 PolarHBondContact O-N 3.11Å; S41-L459 WeakPolarHBondContact O-CB 3.37Å |
| 42 | A | 90.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 155.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C44 L459 T461 | A42-C44 PolarHBondContact O-N 2.92Å; A42-L459 WeakPolarHBondContact CA-O 3.46Å; A42-T461 HydrophobicContact CB-CG2 3.71Å |
| 43 | S | 94 | Very high | 90 | Very high | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 128.6 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | D13 K45 I46 L459 | D13-S43 VanDerWaalsContact OD1-CB 3.31Å; D13-S43 WeakPolarHBondContact OD1-CB 3.33Å; D13-S43 PolarHBondContact OD1-OG 3.25Å; D13-S43 WeakPolarHBondContact OD2-CA 3.39Å; D13-S43 PolarHBondContact OD2-OG 3.49Å; S43-K45 PolarHBondContact O-N 2.98Å; S43-K45 WeakPolarHBondContact OG-CB 3.24Å; S43-K45 PolarHBondContact OG-N 3.11Å; S43-I46 PolarHBondContact O-N 2.87Å; S43-I46 VanDerWaalsContact O-N 3.08Å; S43-L459 PolarHBondContact N-O 3.36Å |
| 44 | C | 92.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17 | 173.1 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | D13 A42 I46 | D13-C44 PolarHBondContact OD2-N 3.05Å; D13-C44 PolarHBondContact OD2-SG 3.47Å; D13-C44 VanDerWaalsContact OD2-SG 3.34Å; A42-C44 PolarHBondContact O-N 2.92Å; C44-I46 PolarHBondContact O-N 3.15Å |
| 45 | K | 93.7 | Very high | 89.7 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11 | 173.9 | -46 | -54 | -169.4 | -150.9 | 0 | 112.2 | D13 E14 S43 F458 R517 | D13-K45 HydrophobicContact CB-CG 4.4Å; D13-K45 WeakPolarHBondContact O-CE 3.42Å; D13-K45 PolarHBondContact O-NZ 3.26Å; E14-K45 IonicContact OE1-NZ 2.78Å; E14-K45 PolarHBondContact OE1-NZ 3.02Å; S43-K45 PolarHBondContact O-N 2.98Å; S43-K45 WeakPolarHBondContact OG-CB 3.24Å; S43-K45 PolarHBondContact OG-N 3.11Å; K45-F458 HydrophobicContact CB-CD1 3.95Å; K45-F458 HydrophobicContact CB-CE1 3.91Å; K45-F458 HydrophobicContact CG-CD1 4.31Å; K45-F458 HydrophobicContact CG-CE1 4.1Å; K45-R517 WeakPolarHBondContact CB-O 3.25Å; K45-R517 PolarHBondContact O-N 2.84Å |
| 46 | I | 93.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.8 | 174.9 | -61.4 | 179.5 | 0 | 0 | 0 | 110.3 | S43 C44 I48 F458 L460 I516 | S43-I46 PolarHBondContact O-N 2.87Å; S43-I46 VanDerWaalsContact O-N 3.08Å; C44-I46 PolarHBondContact O-N 3.15Å; I46-I48 HydrophobicContact CG2-CG1 4.18Å; I46-I48 HydrophobicContact CG2-CG2 3.79Å; I46-F458 HydrophobicContact CD1-CB 3.7Å; I46-F458 HydrophobicContact CG1-CB 4.22Å; I46-L460 HydrophobicContact CD1-CD2 3.62Å; I46-I516 HydrophobicContact CG1-CG1 4.4Å; I46-I516 HydrophobicContact CG1-CG2 4.19Å |
| 47 | S | 94.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 71 Ų | 71 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.7 | 170.4 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | G514 T515 | S47-G514 CarbonylContact O-C 3.58Å; S47-G514 WeakPolarHBondContact O-CA 3.38Å; S47-T515 PolarHBondContact N-O 3.24Å; S47-T515 PolarHBondContact O-N 2.95Å |
| 48 | I | 91.3 | Very high | 87.9 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.2 | -172.3 | 38.4 | 168 | 0 | 0 | 0 | 111.7 | I46 L512 N513 | I46-I48 HydrophobicContact CG2-CG1 4.18Å; I46-I48 HydrophobicContact CG2-CG2 3.79Å; I48-L512 HydrophobicContact CB-CB 4.42Å; I48-L512 HydrophobicContact CB-CD1 4.08Å; I48-L512 HydrophobicContact CD1-CD1 3.69Å; I48-L512 HydrophobicContact CG1-CD1 4.41Å; I48-L512 HydrophobicContact CG2-CB 4.34Å; I48-L512 HydrophobicContact CG2-CD1 4.33Å; I48-N513 CarbonylContact C-O 3.58Å; I48-N513 WeakPolarHBondContact CA-O 3.29Å |
| 49 | Q | 91.1 | Very high | 86.7 | Confident | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.3 | 178.6 | -65 | -177.5 | -6.2 | 0 | 0 | 110.4 | A51 L512 N513 | Q49-A51 PolarHBondContact O-N 3.27Å; Q49-L512 CarbonylContact O-C 3.6Å; Q49-L512 WeakPolarHBondContact O-CA 3.47Å; Q49-N513 PolarHBondContact N-O 3.13Å; Q49-N513 PolarHBondContact O-N 3.01Å |
| 50 | P | 90.9 | Very high | 85.1 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 123.3 | 174.1 | -21.3 | 33.5 | 0 | 0 | 0 | 112.3 | L512 | P50-L512 HydrophobicContact CB-CD2 4.05Å; P50-L512 HydrophobicContact CG-CD2 4.04Å |
| 51 | A | 91.4 | Very high | 84 | Confident | 37 Ų | 37 | 59 Ų | 59 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -34.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q49 L99 L511 N513 | Q49-A51 PolarHBondContact O-N 3.27Å; A51-L99 HydrophobicContact CB-CD2 4.22Å; A51-L511 HydrophobicContact CB-CD2 4.35Å; A51-L511 PolarHBondContact N-O 3.5Å; A51-N513 HydrophobicContact CB-CB 4.3Å |
| 52 | V | 92.4 | Very high | 82.6 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 135.8 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | Y77 L99 N510 L511 | V52-Y77 HydrophobicContact CG2-CE1 4.31Å; V52-Y77 WeakPolarHBondContact CG2-OH 3.32Å; V52-L99 HydrophobicContact CG2-CD2 3.79Å; V52-N510 CarbonylContact O-C 3.58Å; V52-N510 VanDerWaalsContact O-CA 3.25Å; V52-N510 WeakPolarHBondContact O-CA 3.48Å; V52-L511 HydrophobicContact CB-CB 3.94Å; V52-L511 HydrophobicContact CB-CD2 4.42Å; V52-L511 HydrophobicContact CG2-CB 4.35Å; V52-L511 HydrophobicContact CG2-CD2 3.91Å; V52-L511 PolarHBondContact N-O 3.29Å; V52-L511 PolarHBondContact O-N 3.32Å |
| 53 | K | 91.6 | Very high | 81.8 | Confident | 176 Ų | 176 | 55.6 Ų | 55.6 | 77% | 0.765 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.2 | 170.7 | -175.3 | -175.2 | 177.3 | -169.5 | 0 | 109.6 | ||
| 54 | Y | 90 | Very high | 81.4 | Confident | 45 Ų | 45 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | trans | -166 | 157.9 | -179.6 | 165.4 | -87.1 | 0 | 0 | 0 | 108.9 | W56 I79 K80 R509 | Y54-W56 AromaticContact CD1-CD2 3.48Å; Y54-W56 HydrophobicContact CD1-CD2 3.48Å; Y54-W56 VanDerWaalsContact CD1-CD2 3.48Å; Y54-W56 AromaticContact CD1-CE2 3.49Å; Y54-W56 VanDerWaalsContact CD1-CE2 3.49Å; Y54-W56 AromaticContact CD1-CE3 3.67Å; Y54-W56 HydrophobicContact CD1-CE3 3.67Å; Y54-W56 HydrophobicContact CD1-CG 4.04Å; Y54-W56 AromaticContact CD1-CH2 3.89Å; Y54-W56 HydrophobicContact CD1-CH2 3.89Å; Y54-W56 AromaticContact CD1-CZ2 3.72Å; Y54-W56 HydrophobicContact CD1-CZ2 3.72Å; Y54-W56 AromaticContact CD1-CZ3 3.85Å; Y54-W56 HydrophobicContact CD1-CZ3 3.85Å; Y54-W56 AromaticContact CD1-NE1 4Å; Y54-W56 AromaticContact CE1-CD2 3.95Å; Y54-W56 HydrophobicContact CE1-CD2 3.95Å; Y54-W56 AromaticContact CE1-CE2 3.93Å; Y54-W56 HydrophobicContact CE1-CG 4.03Å; Y54-W56 HydrophobicContact CE1-CZ2 4.49Å; Y54-W56 AromaticContact CE1-NE1 3.96Å; Y54-W56 HydrophobicContact CG-CH2 4.32Å; Y54-W56 HydrophobicContact CG-CZ2 4.46Å; Y54-W56 HydrophobicContact CG-CZ3 4.34Å; Y54-W56 WeakPolarHBondContact O-CZ3 3.43Å; Y54-I79 HydrophobicContact CD1-CG2 3.96Å; Y54-I79 HydrophobicContact CD2-CG2 4.11Å; Y54-I79 HydrophobicContact CE1-CB 4.14Å; Y54-I79 HydrophobicContact CE1-CG2 3.7Å; Y54-I79 HydrophobicContact CE2-CB 3.8Å; Y54-I79 HydrophobicContact CE2-CG2 3.85Å; Y54-I79 HydrophobicContact CG-CG2 4.18Å; Y54-K80 WeakPolarHBondContact OH-CG 3.47Å; Y54-K80 PolarHBondContact OH-N 3.09Å; Y54-R509 PolarHBondContact N-O 2.77Å; Y54-R509 VanDerWaalsContact N-O 3.13Å; Y54-R509 CarbonylContact O-C 3.53Å; Y54-R509 WeakPolarHBondContact O-CA 3.37Å | ||
| 55 | F | 87.2 | Confident | 81.4 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | trans | -97.6 | 108.7 | -175.7 | -170.4 | -115.8 | 0 | 0 | 0 | 112.6 | E57 N508 R509 | F55-E57 HydrophobicContact CD1-CG 3.91Å; F55-E57 HydrophobicContact CE1-CG 3.45Å; F55-E57 VanDerWaalsContact CE1-CG 3.45Å; F55-E57 HydrophobicContact CZ-CG 4.24Å; F55-N508 WeakPolarHBondContact CA-O 3.49Å; F55-N508 WeakPolarHBondContact CD2-O 3.47Å; F55-R509 HydrophobicContact CD2-CG 4.15Å | ||
| 56 | W | 84.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -97.1 | 117.6 | 175.9 | -73.6 | -92.1 | 0 | 0 | 0 | 110.5 | Y54 Y61 Y77 L465 I506 H507 N508 L511 | Y54-W56 AromaticContact CD1-CD2 3.48Å; Y54-W56 HydrophobicContact CD1-CD2 3.48Å; Y54-W56 VanDerWaalsContact CD1-CD2 3.48Å; Y54-W56 AromaticContact CD1-CE2 3.49Å; Y54-W56 VanDerWaalsContact CD1-CE2 3.49Å; Y54-W56 AromaticContact CD1-CE3 3.67Å; Y54-W56 HydrophobicContact CD1-CE3 3.67Å; Y54-W56 HydrophobicContact CD1-CG 4.04Å; Y54-W56 AromaticContact CD1-CH2 3.89Å; Y54-W56 HydrophobicContact CD1-CH2 3.89Å; Y54-W56 AromaticContact CD1-CZ2 3.72Å; Y54-W56 HydrophobicContact CD1-CZ2 3.72Å; Y54-W56 AromaticContact CD1-CZ3 3.85Å; Y54-W56 HydrophobicContact CD1-CZ3 3.85Å; Y54-W56 AromaticContact CD1-NE1 4Å; Y54-W56 AromaticContact CE1-CD2 3.95Å; Y54-W56 HydrophobicContact CE1-CD2 3.95Å; Y54-W56 AromaticContact CE1-CE2 3.93Å; Y54-W56 HydrophobicContact CE1-CG 4.03Å; Y54-W56 HydrophobicContact CE1-CZ2 4.49Å; Y54-W56 AromaticContact CE1-NE1 3.96Å; Y54-W56 HydrophobicContact CG-CH2 4.32Å; Y54-W56 HydrophobicContact CG-CZ2 4.46Å; Y54-W56 HydrophobicContact CG-CZ3 4.34Å; Y54-W56 WeakPolarHBondContact O-CZ3 3.43Å; W56-Y61 HydrophobicContact CB-CE2 4.11Å; W56-Y61 AromaticContact CD1-CE1 3.75Å; W56-Y61 AromaticContact CD1-CE2 3.76Å; W56-Y61 AromaticContact CD1-CZ 3.4Å; W56-Y61 VanDerWaalsContact CD1-CZ 3.4Å; W56-Y61 HydrophobicContact CG-CE2 4.36Å; W56-Y77 AromaticContact CZ2-CD2 3.83Å; W56-Y77 HydrophobicContact CZ2-CD2 3.83Å; W56-Y77 HydrophobicContact CZ2-CE2 4.1Å; W56-L465 HydrophobicContact CB-CD1 3.61Å; W56-I506 HydrophobicContact CB-CG2 3.92Å; W56-I506 HydrophobicContact CD2-CG2 3.46Å; W56-I506 VanDerWaalsContact CD2-CG2 3.46Å; W56-I506 HydrophobicContact CE3-CG2 4.06Å; W56-I506 HydrophobicContact CG-CG2 3.39Å; W56-I506 HydrophobicContact CZ2-CD1 4.46Å; W56-I506 HydrophobicContact CZ2-CG1 4.43Å; W56-H507 VanDerWaalsContact CE3-O 3.25Å; W56-N508 PolarHBondContact N-O 3.01Å; W56-N508 WeakPolarHBondContact O-CA 3.26Å; W56-L511 HydrophobicContact CH2-CB 3.75Å; W56-L511 HydrophobicContact CZ2-CB 4.35Å; W56-L511 HydrophobicContact CZ3-CB 4.46Å; W56-L511 VanDerWaalsContact CZ3-N 3.31Å | ||
| 57 | E | 72.7 | Confident | 81.6 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | trans | -94.1 | 118.3 | 176.7 | -72.9 | 167.4 | -133.5 | 0 | 0 | 111.9 | F55 Q59 Y60 Y61 K80 | F55-E57 HydrophobicContact CD1-CG 3.91Å; F55-E57 HydrophobicContact CE1-CG 3.45Å; F55-E57 VanDerWaalsContact CE1-CG 3.45Å; F55-E57 HydrophobicContact CZ-CG 4.24Å; E57-Q59 HydrophobicContact CB-CG 4.28Å; E57-Q59 PolarHBondContact O-N 2.83Å; E57-Q59 PolarHBondContact OE2-NE2 3.02Å; E57-Y60 HydrophobicContact CB-CD2 4.13Å; E57-Y60 PolarHBondContact O-N 3.05Å; E57-Y60 VanDerWaalsContact O-N 3.16Å; E57-Y60 WeakPolarHBondContact OE2-CE2 3.46Å; E57-Y61 WeakPolarHBondContact O-CD2 3.4Å; E57-Y61 WeakPolarHBondContact O-CE2 3.47Å; E57-K80 IonicContact OE1-NZ 2.82Å; E57-K80 PolarHBondContact OE1-NZ 3.08Å | ||
| 58 | Y | 67.7 | Low | 81.6 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -41 | -43.7 | -179.2 | -75.3 | -100.7 | 0 | 0 | 0 | 114.7 | Y60 Y61 L386 N387 I388 V411 P463 L465 | Y58-Y60 PolarHBondContact O-N 3.45Å; Y58-Y61 PolarHBondContact O-N 2.94Å; Y58-Y61 VanDerWaalsContact O-N 3.14Å; Y58-L386 WeakPolarHBondContact CD2-O 3.37Å; Y58-L386 HydrophobicContact CE2-CB 4.49Å; Y58-L386 VanDerWaalsContact CE2-O 3.31Å; Y58-L386 WeakPolarHBondContact CE2-O 3.47Å; Y58-N387 WeakPolarHBondContact CB-O 3.26Å; Y58-I388 HydrophobicContact CD1-CB 4.38Å; Y58-I388 HydrophobicContact CD1-CD1 4.03Å; Y58-I388 HydrophobicContact CD1-CG1 3.6Å; Y58-I388 HydrophobicContact CD1-CG2 4.34Å; Y58-I388 HydrophobicContact CD2-CG1 4.11Å; Y58-I388 HydrophobicContact CE1-CD1 3.52Å; Y58-I388 HydrophobicContact CE1-CG1 3.62Å; Y58-I388 HydrophobicContact CE2-CD1 4.4Å; Y58-I388 HydrophobicContact CE2-CG1 4.14Å; Y58-I388 HydrophobicContact CG-CG1 3.84Å; Y58-V411 HydrophobicContact CE1-CB 4.41Å; Y58-P463 WeakPolarHBondContact OH-CB 3.34Å; Y58-P463 WeakPolarHBondContact OH-CG 3.32Å; Y58-L465 HydrophobicContact CD1-CD2 3.34Å; Y58-L465 HydrophobicContact CD2-CD2 3.95Å; Y58-L465 HydrophobicContact CE1-CD2 3.11Å; Y58-L465 HydrophobicContact CE2-CD2 3.75Å; Y58-L465 HydrophobicContact CG-CD2 3.78Å |
| 59 | Q | 58.2 | Low | 81.9 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -53.6 | -27 | -175 | 62.8 | 178.1 | -21.3 | 0 | 0 | 115.2 | E57 K392 | E57-Q59 HydrophobicContact CB-CG 4.28Å; E57-Q59 PolarHBondContact O-N 2.83Å; E57-Q59 PolarHBondContact OE2-NE2 3.02Å; Q59-K392 PolarHBondContact O-NZ 3.33Å |
| 60 | Y | 51.2 | Low | 81.9 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 28% | 0.275 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -97.4 | -12.3 | -176.7 | -60.8 | -58.7 | 0 | 0 | 0 | 115 | E57 Y58 V62 | E57-Y60 HydrophobicContact CB-CD2 4.13Å; E57-Y60 PolarHBondContact O-N 3.05Å; E57-Y60 VanDerWaalsContact O-N 3.16Å; E57-Y60 WeakPolarHBondContact OE2-CE2 3.46Å; Y58-Y60 PolarHBondContact O-N 3.45Å; Y60-V62 PolarHBondContact O-N 3.05Å |
| 61 | Y | 59.5 | Low | 82 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -98.5 | 67.3 | -173.2 | -63.8 | -79.8 | 0 | 0 | 0 | 111.5 | W56 E57 Y58 T63 L65 L466 | W56-Y61 HydrophobicContact CB-CE2 4.11Å; W56-Y61 AromaticContact CD1-CE1 3.75Å; W56-Y61 AromaticContact CD1-CE2 3.76Å; W56-Y61 AromaticContact CD1-CZ 3.4Å; W56-Y61 VanDerWaalsContact CD1-CZ 3.4Å; W56-Y61 HydrophobicContact CG-CE2 4.36Å; E57-Y61 WeakPolarHBondContact O-CD2 3.4Å; E57-Y61 WeakPolarHBondContact O-CE2 3.47Å; Y58-Y61 PolarHBondContact O-N 2.94Å; Y58-Y61 VanDerWaalsContact O-N 3.14Å; Y61-T63 VanDerWaalsContact C-N 3.29Å; Y61-L65 HydrophobicContact CD1-CB 3.85Å; Y61-L65 HydrophobicContact CD1-CD1 3.5Å; Y61-L65 VanDerWaalsContact CD1-CD1 3.5Å; Y61-L65 HydrophobicContact CD1-CG 4.32Å; Y61-L65 HydrophobicContact CE1-CB 4.08Å; Y61-L65 HydrophobicContact CE1-CD1 3.79Å; Y61-L65 HydrophobicContact CG-CD1 4.41Å; Y61-L466 HydrophobicContact CD1-CD1 3.65Å; Y61-L466 HydrophobicContact CG-CD1 4.21Å | ||
| 62 | V | 56.5 | Low | 82 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -77.1 | -19.3 | -176.7 | -160.8 | 0 | 0 | 0 | 0 | 112.7 | Y60 D171 V172 K392 | Y60-V62 PolarHBondContact O-N 3.05Å; V62-D171 WeakPolarHBondContact CG1-O 3.4Å; V62-D171 WeakPolarHBondContact CG2-O 3.44Å; V62-V172 HydrophobicContact CG1-CG1 3.74Å; V62-K392 HydrophobicContact CB-CD 4.22Å; V62-K392 HydrophobicContact CG1-CB 4.4Å; V62-K392 HydrophobicContact CG1-CD 3.81Å; V62-K392 HydrophobicContact CG1-CG 4.01Å; V62-K392 HydrophobicContact CG2-CD 3.79Å |
| 63 | T | 73.2 | Confident | 82 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -158.4 | 171.9 | -146.8 | 38.2 | 0 | 0 | 0 | 0 | 110.1 | Y61 L65 T117 S173 L466 | Y61-T63 VanDerWaalsContact C-N 3.29Å; T63-L65 PolarHBondContact O-N 3.26Å; T63-T117 WeakPolarHBondContact CB-O 3.1Å; T63-T117 PolarHBondContact OG1-O 3.3Å; T63-S173 WeakPolarHBondContact CG2-O 3.15Å; T63-L466 WeakPolarHBondContact O-CD2 3.36Å |
| 64 | R | 86.3 | Confident | 82.2 | Confident | 120 Ų | 120 | 34 Ų | 34 | 45% | 0.453 | 16% | 0.163 | S | C | . | . | trans | -69 | 89.1 | -175 | -168.6 | 172.6 | 179.5 | -171.3 | -6.9 | 112.1 | C118 I119 D120 | R64-C118 CarbonylContact O-C 3.51Å; R64-C118 WeakPolarHBondContact O-CA 3.29Å; R64-I119 PolarHBondContact O-N 3.2Å; R64-D120 IonicContact CZ-OD1 2.69Å; R64-D120 IonicContact CZ-OD2 2.75Å; R64-D120 IonicContact NE-OD1 3.69Å; R64-D120 IonicContact NE-OD2 2.71Å; R64-D120 VanDerWaalsContact NH1-CG 3.35Å; R64-D120 IonicContact NH1-OD1 3.28Å; R64-D120 IonicContact NH1-OD2 3.78Å; R64-D120 PolarHBondContact NH1-OD2 3.32Å; R64-D120 IonicContact NH2-OD1 3.94Å; R64-D120 PolarHBondContact NH2-OD1 3.11Å; R64-D120 IonicContact NH2-OD2 3.64Å; R64-D120 PolarHBondContact NH2-OD2 2.88Å; R64-D120 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 65 | L | 92.3 | Very high | 82.6 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -108.9 | 15.5 | -179.9 | -70.7 | 168.7 | 0 | 0 | 0 | 113.6 | Y61 T63 Y77 A78 I116 T117 I119 L466 | Y61-L65 HydrophobicContact CD1-CB 3.85Å; Y61-L65 HydrophobicContact CD1-CD1 3.5Å; Y61-L65 VanDerWaalsContact CD1-CD1 3.5Å; Y61-L65 HydrophobicContact CD1-CG 4.32Å; Y61-L65 HydrophobicContact CE1-CB 4.08Å; Y61-L65 HydrophobicContact CE1-CD1 3.79Å; Y61-L65 HydrophobicContact CG-CD1 4.41Å; T63-L65 PolarHBondContact O-N 3.26Å; L65-Y77 WeakPolarHBondContact O-CA 3.43Å; L65-A78 HydrophobicContact CB-CB 4.11Å; L65-A78 HydrophobicContact CD2-CB 3.75Å; L65-A78 HydrophobicContact CG-CB 4.44Å; L65-A78 PolarHBondContact O-N 3.26Å; L65-I116 HydrophobicContact CD2-CB 3.87Å; L65-I116 HydrophobicContact CD2-CG2 3.63Å; L65-T117 VanDerWaalsContact CD2-C 3.43Å; L65-T117 WeakPolarHBondContact CD2-O 3.48Å; L65-T117 WeakPolarHBondContact CG-O 3.47Å; L65-I119 WeakPolarHBondContact O-CD1 3.3Å; L65-L466 HydrophobicContact CB-CD1 3.7Å | ||
| 66 | I | 94.9 | Very high | 83 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.1 | 164.6 | -175.4 | 174.3 | 0 | 0 | 0 | 108.6 | I75 A76 L466 A468 H504 I506 L511 | I66-I75 HydrophobicContact CD1-CG2 4.07Å; I66-I75 HydrophobicContact CG1-CG2 3.92Å; I66-A76 WeakPolarHBondContact CA-O 3.24Å; I66-L466 HydrophobicContact CG2-CB 3.85Å; I66-L466 HydrophobicContact CG2-CD1 4.44Å; I66-A468 HydrophobicContact CD1-CB 4.23Å; I66-A468 HydrophobicContact CG1-CB 3.98Å; I66-A468 HydrophobicContact CG2-CB 4.22Å; I66-H504 HydrophobicContact CD1-CB 3.97Å; I66-I506 HydrophobicContact CB-CD1 3.84Å; I66-I506 HydrophobicContact CD1-CD1 4.11Å; I66-I506 HydrophobicContact CD1-CG1 4.07Å; I66-I506 HydrophobicContact CG1-CD1 4.41Å; I66-I506 HydrophobicContact CG2-CD1 4.27Å; I66-L511 HydrophobicContact CD1-CD1 3.6Å |
| 67 | A | 95.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I75 A76 I119 F121 | A67-I75 WeakPolarHBondContact O-CA 3.02Å; A67-A76 PolarHBondContact N-O 2.78Å; A67-A76 PolarHBondContact O-N 2.87Å; A67-I119 HydrophobicContact CB-CG1 4.17Å; A67-F121 HydrophobicContact CB-CD2 3.82Å; A67-F121 HydrophobicContact CB-CE2 4.28Å |
| 68 | R | 95.6 | Very high | 84.6 | Confident | 33 Ų | 33 | 26.3 Ų | 26.3 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.3 | 170.1 | 169.2 | 153.9 | -178.3 | 177.6 | 1.1 | 109.6 | S72 A468 D502 H504 | R68-S72 PolarHBondContact NE-O 3.23Å; R68-S72 VanDerWaalsContact NE-O 3.15Å; R68-S72 PolarHBondContact NH2-O 2.89Å; R68-S72 VanDerWaalsContact NH2-O 3.14Å; R68-A468 HydrophobicContact CB-CB 4.31Å; R68-D502 IonicContact NH1-OD2 2.77Å; R68-H504 PolarHBondContact NH1-NE2 2.94Å |
| 69 | H | 96 | Very high | 85.7 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -64 | 133 | 169.5 | -179.1 | -123.5 | 0 | 0 | 0 | 110 | A71 S72 L74 F121 L124 S125 A127 | H69-A71 PolarHBondContact O-N 2.91Å; H69-S72 PolarHBondContact ND1-N 2.85Å; H69-S72 PolarHBondContact ND1-OG 3.5Å; H69-S72 VanDerWaalsContact O-O 3.09Å; H69-L74 HydrophobicContact CB-CB 3.89Å; H69-L74 HydrophobicContact CB-CD2 4.37Å; H69-L74 HydrophobicContact CB-CG 4.39Å; H69-L74 WeakPolarHBondContact CB-O 3.47Å; H69-L74 PolarHBondContact N-O 3.25Å; H69-F121 HydrophobicContact CB-CD1 4.21Å; H69-F121 HydrophobicContact CB-CD2 4.14Å; H69-F121 HydrophobicContact CB-CE1 4.2Å; H69-F121 HydrophobicContact CB-CE2 4.13Å; H69-F121 HydrophobicContact CB-CG 4.18Å; H69-F121 HydrophobicContact CB-CZ 4.16Å; H69-L124 PolarHBondContact NE2-O 3.45Å; H69-L124 VanDerWaalsContact NE2-O 3.17Å; H69-S125 PolarHBondContact CE1-O 3.17Å; H69-A127 WeakPolarHBondContact NE2-CA 3.34Å | ||
| 70 | H | 92.6 | Very high | 87 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 17% | 0.171 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.5 | -166.8 | 94.8 | -89.3 | 0 | 0 | 0 | 113.8 | L123 L124 L181 | H70-L123 HydrophobicContact CB-CD1 3.64Å; H70-L123 PolarHBondContact CE1-O 3.16Å; H70-L124 VanDerWaalsContact CE1-C 3.41Å; H70-L124 PolarHBondContact CE1-O 3.29Å; H70-L124 PolarHBondContact ND1-O 3.28Å; H70-L181 WeakPolarHBondContact NE2-CD1 3.38Å |
| 71 | A | 91.7 | Very high | 88.5 | Confident | 56 Ų | 56 | 25.6 Ų | 25.6 | 46% | 0.463 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 0.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H69 | H69-A71 PolarHBondContact O-N 2.91Š|
| 72 | S | 92.8 | Very high | 89.5 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -146.8 | 179.2 | 175.6 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | R68 H69 L74 Q145 | R68-S72 PolarHBondContact NE-O 3.23Å; R68-S72 VanDerWaalsContact NE-O 3.15Å; R68-S72 PolarHBondContact NH2-O 2.89Å; R68-S72 VanDerWaalsContact NH2-O 3.14Å; H69-S72 PolarHBondContact ND1-N 2.85Å; H69-S72 PolarHBondContact ND1-OG 3.5Å; H69-S72 VanDerWaalsContact O-O 3.09Å; S72-L74 PolarHBondContact O-N 2.89Å; S72-L74 WeakPolarHBondContact OG-CB 3.46Å; S72-L74 PolarHBondContact OG-N 3.38Å; S72-Q145 PolarHBondContact OG-NE2 3.37Å; S72-Q145 PolarHBondContact OG-OE1 3.5Å |
| 73 | S | 92.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -80.7 | 22.6 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 113.8 | N100 T101 E102 | S73-N100 CarbonylContact O-C 3.42Å; S73-N100 VanDerWaalsContact O-CA 3.32Å; S73-N100 WeakPolarHBondContact O-CA 3.24Å; S73-T101 PolarHBondContact O-N 2.95Å; S73-T101 PolarHBondContact O-OG1 3.02Å; S73-E102 VanDerWaalsContact CB-OE2 3.28Å; S73-E102 WeakPolarHBondContact CB-OE2 3.21Å; S73-E102 PolarHBondContact OG-OE2 3.09Å |
| 74 | L | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.7 | -179.3 | -178.5 | 66.1 | 0 | 0 | 0 | 112 | H69 S72 L98 N100 F121 A127 I143 Q145 M153 | H69-L74 HydrophobicContact CB-CB 3.89Å; H69-L74 HydrophobicContact CB-CD2 4.37Å; H69-L74 HydrophobicContact CB-CG 4.39Å; H69-L74 WeakPolarHBondContact CB-O 3.47Å; H69-L74 PolarHBondContact N-O 3.25Å; S72-L74 PolarHBondContact O-N 2.89Å; S72-L74 WeakPolarHBondContact OG-CB 3.46Å; S72-L74 PolarHBondContact OG-N 3.38Å; L74-L98 HydrophobicContact CD1-CB 4.03Å; L74-L98 HydrophobicContact CD1-CD2 4.2Å; L74-L98 HydrophobicContact CD2-CD2 4.22Å; L74-L98 HydrophobicContact CG-CD2 4.4Å; L74-N100 HydrophobicContact CD1-CB 4.33Å; L74-F121 HydrophobicContact CD2-CE1 4.21Å; L74-F121 HydrophobicContact CD2-CZ 4.07Å; L74-F121 HydrophobicContact CG-CZ 4.2Å; L74-A127 HydrophobicContact CD2-CB 3.71Å; L74-I143 HydrophobicContact CD2-CG2 4.19Å; L74-Q145 HydrophobicContact CD2-CG 4.15Å; L74-M153 HydrophobicContact CD1-CE 3.58Å; L74-M153 HydrophobicContact CD1-SD 3.93Å |
| 75 | I | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.7 | 176.6 | -50.5 | 170.4 | 0 | 0 | 0 | 108.4 | I66 A67 L98 L99 T101 H504 | I66-I75 HydrophobicContact CD1-CG2 4.07Å; I66-I75 HydrophobicContact CG1-CG2 3.92Å; A67-I75 WeakPolarHBondContact O-CA 3.02Å; I75-L98 CarbonylContact O-C 3.59Å; I75-L98 VanDerWaalsContact O-CA 3.25Å; I75-L98 WeakPolarHBondContact O-CA 3.42Å; I75-L99 PolarHBondContact N-O 2.86Å; I75-L99 PolarHBondContact O-N 2.84Å; I75-T101 HydrophobicContact CD1-CG2 3.44Å; I75-T101 VanDerWaalsContact CD1-CG2 3.44Å; I75-T101 HydrophobicContact CG1-CG2 4.26Å; I75-H504 HydrophobicContact CD1-CB 4.06Å; I75-H504 VanDerWaalsContact CD1-CG 3.46Å; I75-H504 VanDerWaalsContact CD1-ND1 3.31Å; I75-H504 WeakPolarHBondContact CD1-ND1 3.31Å |
| 76 | A | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | I66 A67 V96 R97 L98 I119 F121 L129 | I66-A76 WeakPolarHBondContact CA-O 3.24Å; A67-A76 PolarHBondContact N-O 2.78Å; A67-A76 PolarHBondContact O-N 2.87Å; A76-V96 HydrophobicContact CB-CG1 4.05Å; A76-R97 CarbonylContact C-O 3.58Å; A76-R97 WeakPolarHBondContact CA-O 3.25Å; A76-L98 HydrophobicContact CB-CD2 4.38Å; A76-L98 HydrophobicContact CB-CG 4.11Å; A76-I119 HydrophobicContact CB-CD1 3.98Å; A76-I119 WeakPolarHBondContact O-CD1 3.39Å; A76-F121 HydrophobicContact CB-CE2 3.69Å; A76-F121 HydrophobicContact CB-CZ 3.85Å; A76-L129 HydrophobicContact CB-CD1 4.02Å; A76-L129 HydrophobicContact CB-CD2 3.75Å |
| 77 | Y | 95.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143 | 176.1 | 60.5 | -85.1 | 0 | 0 | 0 | 111.7 | V52 W56 L65 I79 R97 L99 L511 | V52-Y77 HydrophobicContact CG2-CE1 4.31Å; V52-Y77 WeakPolarHBondContact CG2-OH 3.32Å; W56-Y77 AromaticContact CZ2-CD2 3.83Å; W56-Y77 HydrophobicContact CZ2-CD2 3.83Å; W56-Y77 HydrophobicContact CZ2-CE2 4.1Å; L65-Y77 WeakPolarHBondContact O-CA 3.43Å; Y77-I79 HydrophobicContact CD2-CG2 3.94Å; Y77-I79 HydrophobicContact CE2-CG2 3.88Å; Y77-R97 HydrophobicContact CD1-CB 4.38Å; Y77-R97 HydrophobicContact CD2-CB 4.23Å; Y77-R97 HydrophobicContact CE1-CB 3.78Å; Y77-R97 HydrophobicContact CE2-CB 3.63Å; Y77-R97 HydrophobicContact CE2-CG 4.29Å; Y77-R97 PolarHBondContact N-O 2.77Å; Y77-R97 PolarHBondContact O-N 2.85Å; Y77-R97 WeakPolarHBondContact OH-CB 3.29Å; Y77-R97 WeakPolarHBondContact OH-CD 3.38Å; Y77-L99 HydrophobicContact CE1-CB 4.31Å; Y77-L511 HydrophobicContact CD1-CD2 4.08Å; Y77-L511 HydrophobicContact CE1-CD2 4.08Å |
| 78 | A | 93.5 | Very high | 86.3 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L65 M95 I116 | L65-A78 HydrophobicContact CB-CB 4.11Å; L65-A78 HydrophobicContact CD2-CB 3.75Å; L65-A78 HydrophobicContact CG-CB 4.44Å; L65-A78 PolarHBondContact O-N 3.26Å; A78-M95 WeakPolarHBondContact CA-O 3.42Å; A78-I116 HydrophobicContact CB-CB 4.02Å; A78-I116 HydrophobicContact CB-CG1 4.15Å; A78-I116 HydrophobicContact CB-CG2 4.4Å |
| 79 | I | 91.4 | Very high | 85 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.9 | 172.7 | 60.3 | 168.1 | 0 | 0 | 0 | 110.3 | Y54 Y77 M95 R97 L108 | Y54-I79 HydrophobicContact CD1-CG2 3.96Å; Y54-I79 HydrophobicContact CD2-CG2 4.11Å; Y54-I79 HydrophobicContact CE1-CB 4.14Å; Y54-I79 HydrophobicContact CE1-CG2 3.7Å; Y54-I79 HydrophobicContact CE2-CB 3.8Å; Y54-I79 HydrophobicContact CE2-CG2 3.85Å; Y54-I79 HydrophobicContact CG-CG2 4.18Å; Y77-I79 HydrophobicContact CD2-CG2 3.94Å; Y77-I79 HydrophobicContact CE2-CG2 3.88Å; I79-M95 HydrophobicContact CD1-CE 3.72Å; I79-M95 HydrophobicContact CG1-CB 4.04Å; I79-M95 HydrophobicContact CG1-CE 4.14Å; I79-M95 PolarHBondContact N-O 3.28Å; I79-M95 PolarHBondContact O-N 3.09Å; I79-M95 VanDerWaalsContact O-O 3.13Å; I79-R97 HydrophobicContact CD1-CG 3.77Å; I79-R97 HydrophobicContact CG1-CG 4.39Å; I79-L108 HydrophobicContact CD1-CD1 4.41Å |
| 80 | K | 85.5 | Confident | 83.7 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 145.9 | 178.1 | 79.2 | -172 | -178.2 | 169.5 | 0 | 111.6 | Y54 E57 | Y54-K80 WeakPolarHBondContact OH-CG 3.47Å; Y54-K80 PolarHBondContact OH-N 3.09Å; E57-K80 IonicContact OE1-NZ 2.82Å; E57-K80 PolarHBondContact OE1-NZ 3.08Å |
| 81 | H | 83.8 | Confident | 82.7 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135 | 167.5 | -170.4 | -86.6 | 0 | 0 | 0 | 109.2 | H92 V93 M95 | H81-H92 WeakPolarHBondContact O-CA 3.43Å; H81-V93 WeakPolarHBondContact CB-O 3.43Å; H81-V93 PolarHBondContact N-O 3.37Å; H81-V93 PolarHBondContact O-N 3.35Å; H81-M95 HydrophobicContact CB-CE 3.89Å; H81-M95 HydrophobicContact CB-CG 3.94Å; H81-M95 HydrophobicContact CB-SD 3.89Å |
| 82 | V | 79 | Confident | 82 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 107.9 | 168.9 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | D90 | V82-D90 HydrophobicContact CG1-CB 3.61Å; V82-D90 VanDerWaalsContact CG1-CG 3.44Å |
| 83 | K | 73.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 60.9 Ų | 60.9 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.3 | 171.1 | -175 | -175.8 | 177 | -172.1 | 0 | 107.9 | T85 V91 V93 | K83-T85 PolarHBondContact O-N 3.42Å; K83-V91 PolarHBondContact N-O 3Å; K83-V91 PolarHBondContact O-N 2.97Å; K83-V93 HydrophobicContact CB-CG2 3.83Å; K83-V93 HydrophobicContact CD-CG2 4.24Å |
| 84 | K | 72.6 | Confident | 81.3 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 134.8 | 165.7 | -82.4 | -170.5 | 164.6 | -64.3 | 0 | 110 | D88 D90 | K84-D88 IonicContact NZ-OD1 3.61Å; K84-D88 PolarHBondContact NZ-OD1 2.96Å; K84-D90 WeakPolarHBondContact CG-OD1 3.44Å; K84-D90 IonicContact NZ-OD1 3.08Å; K84-D90 PolarHBondContact NZ-OD1 3.46Å; K84-D90 VanDerWaalsContact NZ-OD1 3.13Å |
| 85 | T | 71.7 | Confident | 81.2 | Confident | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | trans | -98.8 | 165.1 | 173.9 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | K83 S87 D88 E89 V91 | K83-T85 PolarHBondContact O-N 3.42Å; T85-S87 WeakPolarHBondContact CB-OG 3.3Å; T85-S87 PolarHBondContact O-N 2.97Å; T85-S87 VanDerWaalsContact O-N 3.13Å; T85-S87 PolarHBondContact OG1-OG 2.71Å; T85-D88 WeakPolarHBondContact O-CA 3.05Å; T85-D88 PolarHBondContact O-N 3.1Å; T85-E89 PolarHBondContact N-O 3.36Å; T85-E89 PolarHBondContact OG1-N 3.27Å; T85-E89 PolarHBondContact OG1-O 3.47Å; T85-V91 HydrophobicContact CG2-CB 4.29Å; T85-V91 HydrophobicContact CG2-CG2 3.51Å | ||
| 86 | D | 75.3 | Confident | 81.1 | Confident | 185 Ų | 185 | 61 Ų | 61 | 99% | 0.989 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.1 | 173.5 | -57.2 | -53.1 | 0 | 0 | 0 | 112.7 | D88 | D86-D88 VanDerWaalsContact C-N 3.33Š|
| 87 | S | 75 | Confident | 81.1 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.1 | 169.9 | 28.9 | 0 | 0 | 0 | 0 | 114.6 | T85 E89 | T85-S87 WeakPolarHBondContact CB-OG 3.3Å; T85-S87 PolarHBondContact O-N 2.97Å; T85-S87 VanDerWaalsContact O-N 3.13Å; T85-S87 PolarHBondContact OG1-OG 2.71Å; S87-E89 PolarHBondContact O-N 3.18Å |
| 88 | D | 65.3 | Low | 81.2 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | trans | 58.3 | 3.8 | -174.8 | -135 | -9.8 | 0 | 0 | 0 | 115.7 | K84 T85 D86 | K84-D88 IonicContact NZ-OD1 3.61Å; K84-D88 PolarHBondContact NZ-OD1 2.96Å; T85-D88 WeakPolarHBondContact O-CA 3.05Å; T85-D88 PolarHBondContact O-N 3.1Å; D86-D88 VanDerWaalsContact C-N 3.33Å | ||
| 89 | E | 67.4 | Low | 81.3 | Confident | 119 Ų | 119 | 64.8 Ų | 64.8 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | trans | -73.8 | 128.8 | 167.3 | -67.1 | -171.6 | 169.9 | 0 | 0 | 109.6 | T85 S87 V91 K1164 | T85-E89 PolarHBondContact N-O 3.36Å; T85-E89 PolarHBondContact OG1-N 3.27Å; T85-E89 PolarHBondContact OG1-O 3.47Å; S87-E89 PolarHBondContact O-N 3.18Å; E89-V91 PolarHBondContact O-N 3.39Å; E89-K1164 IonicContact OE1-NZ 2.68Å; E89-K1164 PolarHBondContact OE1-NZ 3.21Å | ||
| 90 | D | 68.9 | Low | 81.4 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 103.6 | -174.5 | -84.3 | -16.2 | 0 | 0 | 0 | 111.2 | V82 K84 | V82-D90 HydrophobicContact CG1-CB 3.61Å; V82-D90 VanDerWaalsContact CG1-CG 3.44Å; K84-D90 WeakPolarHBondContact CG-OD1 3.44Å; K84-D90 IonicContact NZ-OD1 3.08Å; K84-D90 PolarHBondContact NZ-OD1 3.46Å; K84-D90 VanDerWaalsContact NZ-OD1 3.13Å |
| 91 | V | 72.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 63 Ų | 63 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.6 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | K83 T85 E89 V93 | K83-V91 PolarHBondContact N-O 3Å; K83-V91 PolarHBondContact O-N 2.97Å; T85-V91 HydrophobicContact CG2-CB 4.29Å; T85-V91 HydrophobicContact CG2-CG2 3.51Å; E89-V91 PolarHBondContact O-N 3.39Å; V91-V93 HydrophobicContact CG1-CG2 3.96Å; V91-V93 PolarHBondContact O-N 3.44Å |
| 92 | H | 75.2 | Confident | 81.9 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 96.1 | 176.8 | -68.7 | -40.7 | 0 | 0 | 0 | 111.8 | H81 | H81-H92 WeakPolarHBondContact O-CA 3.43Å |
| 93 | V | 83.9 | Confident | 82.4 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 145.9 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | H81 K83 V91 F112 | H81-V93 WeakPolarHBondContact CB-O 3.43Å; H81-V93 PolarHBondContact N-O 3.37Å; H81-V93 PolarHBondContact O-N 3.35Å; K83-V93 HydrophobicContact CB-CG2 3.83Å; K83-V93 HydrophobicContact CD-CG2 4.24Å; V91-V93 HydrophobicContact CG1-CG2 3.96Å; V91-V93 PolarHBondContact O-N 3.44Å; V93-F112 VanDerWaalsContact CG1-O 3.26Å; V93-F112 WeakPolarHBondContact CG1-O 3.35Å |
| 94 | G | 86.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 151.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F112 D114 | G94-F112 WeakPolarHBondContact O-CD2 3.34Å; G94-D114 PolarHBondContact N-O 2.97Å |
| 95 | M | 93.2 | Very high | 84 | Confident | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.1 | 159.9 | -60.4 | -173.9 | -53.2 | 0 | 0 | 109.1 | A78 I79 H81 L108 L109 R110 | A78-M95 WeakPolarHBondContact CA-O 3.42Å; I79-M95 HydrophobicContact CD1-CE 3.72Å; I79-M95 HydrophobicContact CG1-CB 4.04Å; I79-M95 HydrophobicContact CG1-CE 4.14Å; I79-M95 PolarHBondContact N-O 3.28Å; I79-M95 PolarHBondContact O-N 3.09Å; I79-M95 VanDerWaalsContact O-O 3.13Å; H81-M95 HydrophobicContact CB-CE 3.89Å; H81-M95 HydrophobicContact CB-CG 3.94Å; H81-M95 HydrophobicContact CB-SD 3.89Å; M95-L108 HydrophobicContact CB-CD1 3.85Å; M95-L108 HydrophobicContact CE-CD1 4.18Å; M95-L108 HydrophobicContact CE-CD2 4.48Å; M95-L108 HydrophobicContact SD-CD1 4.18Å; M95-L108 HydrophobicContact SD-CD2 4.48Å; M95-L109 WeakPolarHBondContact CB-O 3.26Å; M95-R110 HydrophobicContact CG-CG 4.41Å; M95-R110 HydrophobicContact SD-CG 3.92Å; M95-R110 PolarHBondContact SD-NH1 2.99Å; M95-R110 VanDerWaalsContact SD-NH1 3.42Å |
| 96 | V | 96.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.4 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 109 | A76 L98 L109 F112 I116 I119 L129 I131 | A76-V96 HydrophobicContact CB-CG1 4.05Å; V96-L98 HydrophobicContact CG1-CD1 4.48Å; V96-L109 HydrophobicContact CB-CB 4.34Å; V96-L109 HydrophobicContact CB-CD1 4.47Å; V96-L109 PolarHBondContact N-O 2.94Å; V96-L109 PolarHBondContact O-N 3.46Å; V96-F112 HydrophobicContact CG2-CE2 4.24Å; V96-F112 HydrophobicContact CG2-CZ 4.18Å; V96-I116 HydrophobicContact CG2-CD1 4.16Å; V96-I116 HydrophobicContact CG2-CG1 3.9Å; V96-I116 HydrophobicContact CG2-CG2 4.41Å; V96-I119 HydrophobicContact CG1-CD1 4.31Å; V96-I119 HydrophobicContact CG2-CG2 4.03Å; V96-L129 HydrophobicContact CG1-CD2 4.25Å; V96-I131 HydrophobicContact CB-CD1 4.37Å; V96-I131 HydrophobicContact CG2-CD1 4Å; V96-I131 HydrophobicContact CG2-CG2 4.47Å |
| 97 | R | 96.3 | Very high | 86.1 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.7 | 169.8 | -80.2 | -174.9 | 177.4 | 171.2 | -1.8 | 109.4 | A76 Y77 I79 L107 L108 | A76-R97 CarbonylContact C-O 3.58Å; A76-R97 WeakPolarHBondContact CA-O 3.25Å; Y77-R97 HydrophobicContact CD1-CB 4.38Å; Y77-R97 HydrophobicContact CD2-CB 4.23Å; Y77-R97 HydrophobicContact CE1-CB 3.78Å; Y77-R97 HydrophobicContact CE2-CB 3.63Å; Y77-R97 HydrophobicContact CE2-CG 4.29Å; Y77-R97 PolarHBondContact N-O 2.77Å; Y77-R97 PolarHBondContact O-N 2.85Å; Y77-R97 WeakPolarHBondContact OH-CB 3.29Å; Y77-R97 WeakPolarHBondContact OH-CD 3.38Å; I79-R97 HydrophobicContact CD1-CG 3.77Å; I79-R97 HydrophobicContact CG1-CG 4.39Å; R97-L107 WeakPolarHBondContact CA-O 3.41Å; R97-L108 HydrophobicContact CG-CD1 3.71Å |
| 98 | L | 97.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.3 | 166.8 | -62.7 | 91.8 | 0 | 0 | 0 | 109.6 | L74 I75 A76 V96 K106 L107 L109 F121 L129 I143 M153 | L74-L98 HydrophobicContact CD1-CB 4.03Å; L74-L98 HydrophobicContact CD1-CD2 4.2Å; L74-L98 HydrophobicContact CD2-CD2 4.22Å; L74-L98 HydrophobicContact CG-CD2 4.4Å; I75-L98 CarbonylContact O-C 3.59Å; I75-L98 VanDerWaalsContact O-CA 3.25Å; I75-L98 WeakPolarHBondContact O-CA 3.42Å; A76-L98 HydrophobicContact CB-CD2 4.38Å; A76-L98 HydrophobicContact CB-CG 4.11Å; V96-L98 HydrophobicContact CG1-CD1 4.48Å; L98-K106 WeakPolarHBondContact O-CA 3.44Å; L98-L107 HydrophobicContact CB-CB 4.31Å; L98-L107 PolarHBondContact N-O 2.84Å; L98-L107 PolarHBondContact O-N 3.07Å; L98-L109 HydrophobicContact CD1-CD1 3.89Å; L98-L109 HydrophobicContact CD1-CD2 4.46Å; L98-L109 HydrophobicContact CD1-CG 3.73Å; L98-F121 HydrophobicContact CD2-CZ 4.21Å; L98-L129 HydrophobicContact CD2-CD2 4.17Å; L98-I143 HydrophobicContact CD1-CD1 4.5Å; L98-I143 HydrophobicContact CD2-CB 4.46Å; L98-I143 HydrophobicContact CD2-CD1 3.92Å; L98-I143 HydrophobicContact CD2-CG1 3.72Å; L98-I143 HydrophobicContact CD2-CG2 4.06Å; L98-M153 HydrophobicContact CB-SD 4.19Å |
| 99 | L | 95.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 123.6 | 175.6 | 170.1 | 63.7 | 0 | 0 | 0 | 108.2 | A51 V52 I75 Y77 T101 K105 K106 | A51-L99 HydrophobicContact CB-CD2 4.22Å; V52-L99 HydrophobicContact CG2-CD2 3.79Å; I75-L99 PolarHBondContact N-O 2.86Å; I75-L99 PolarHBondContact O-N 2.84Å; Y77-L99 HydrophobicContact CE1-CB 4.31Å; L99-T101 HydrophobicContact CD2-CG2 4.04Å; L99-T101 HydrophobicContact CG-CG2 4.13Å; L99-K105 WeakPolarHBondContact CA-O 3.24Å; L99-K106 HydrophobicContact CD1-CG 3.9Å |
| 100 | N | 93.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.9 | 160.6 | -178.6 | -46.7 | 0 | 0 | 0 | 107.9 | S73 L74 E102 T103 G104 K105 Q145 M153 | S73-N100 CarbonylContact O-C 3.42Å; S73-N100 VanDerWaalsContact O-CA 3.32Å; S73-N100 WeakPolarHBondContact O-CA 3.24Å; L74-N100 HydrophobicContact CD1-CB 4.33Å; N100-E102 PolarHBondContact O-N 3.39Å; N100-E102 WeakPolarHBondContact OD1-CB 3.48Å; N100-E102 PolarHBondContact OD1-N 3.26Å; N100-T103 WeakPolarHBondContact CB-OG1 3.24Å; N100-T103 PolarHBondContact OD1-N 2.85Å; N100-T103 PolarHBondContact OD1-OG1 2.76Å; N100-G104 VanDerWaalsContact O-CA 3.25Å; N100-G104 WeakPolarHBondContact O-CA 3.5Å; N100-G104 PolarHBondContact O-N 3.38Å; N100-K105 PolarHBondContact N-O 3.33Å; N100-Q145 PolarHBondContact ND2-OE1 3.3Å; N100-Q145 VanDerWaalsContact ND2-OE1 3.14Å; N100-M153 HydrophobicContact CB-CE 3.87Å |
| 101 | T | 91.1 | Very high | 90.5 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.7 | -173.8 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | S73 I75 L99 | S73-T101 PolarHBondContact O-N 2.95Å; S73-T101 PolarHBondContact O-OG1 3.02Å; I75-T101 HydrophobicContact CD1-CG2 3.44Å; I75-T101 VanDerWaalsContact CD1-CG2 3.44Å; I75-T101 HydrophobicContact CG1-CG2 4.26Å; L99-T101 HydrophobicContact CD2-CG2 4.04Å; L99-T101 HydrophobicContact CG-CG2 4.13Å |
| 102 | E | 88.6 | Confident | 91.4 | Very high | 148 Ų | 148 | 48.8 Ų | 48.8 | 69% | 0.692 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -39.8 | -176.6 | -176.9 | 177.7 | 175.5 | 0 | 0 | 111.1 | S73 N100 | S73-E102 VanDerWaalsContact CB-OE2 3.28Å; S73-E102 WeakPolarHBondContact CB-OE2 3.21Å; S73-E102 PolarHBondContact OG-OE2 3.09Å; N100-E102 PolarHBondContact O-N 3.39Å; N100-E102 WeakPolarHBondContact OD1-CB 3.48Å; N100-E102 PolarHBondContact OD1-N 3.26Å |
| 103 | T | 90 | Very high | 92 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11 | 174.5 | 62 | 0 | 0 | 0 | 0 | 113.8 | N100 K105 | N100-T103 WeakPolarHBondContact CB-OG1 3.24Å; N100-T103 PolarHBondContact OD1-N 2.85Å; N100-T103 PolarHBondContact OD1-OG1 2.76Å; T103-K105 PolarHBondContact O-N 3.06Å; T103-K105 VanDerWaalsContact O-N 3.15Å; T103-K105 WeakPolarHBondContact OG1-CG 3.39Å |
| 104 | G | 88.9 | Confident | 92.3 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 46% | 0.464 | 27% | 0.268 | S | S | . | . | trans | 71.3 | -3.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | N100 K106 | N100-G104 VanDerWaalsContact O-CA 3.25Å; N100-G104 WeakPolarHBondContact O-CA 3.5Å; N100-G104 PolarHBondContact O-N 3.38Å; G104-K106 PolarHBondContact O-N 3.2Å | ||
| 105 | K | 91.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -59.9 | 132.8 | -179.9 | -66.2 | -174.2 | -170.6 | -173.4 | 0 | 110.7 | L99 N100 T103 Q145 C148 S149 D151 M153 | L99-K105 WeakPolarHBondContact CA-O 3.24Å; N100-K105 PolarHBondContact N-O 3.33Å; T103-K105 PolarHBondContact O-N 3.06Å; T103-K105 VanDerWaalsContact O-N 3.15Å; T103-K105 WeakPolarHBondContact OG1-CG 3.39Å; K105-Q145 PolarHBondContact NZ-O 3.23Å; K105-C148 PolarHBondContact NZ-O 3.05Å; K105-S149 VanDerWaalsContact CE-O 3.32Å; K105-S149 WeakPolarHBondContact CE-O 3.11Å; K105-D151 WeakPolarHBondContact CE-O 3.24Å; K105-D151 PolarHBondContact NZ-O 2.85Å; K105-M153 HydrophobicContact CB-CB 4.47Å; K105-M153 HydrophobicContact CB-CE 3.92Å | ||
| 106 | K | 93.9 | Very high | 92.3 | Very high | 131 Ų | 131 | 52.8 Ų | 52.8 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.3 | 179.7 | -65.3 | 172.9 | -176.2 | 176.1 | 0 | 110.4 | L98 L99 G104 E790 | L98-K106 WeakPolarHBondContact O-CA 3.44Å; L99-K106 HydrophobicContact CD1-CG 3.9Å; G104-K106 PolarHBondContact O-N 3.2Å; K106-E790 IonicContact NZ-OE1 3.71Å |
| 107 | L | 96.6 | Very high | 92 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 157.8 | 168.9 | 179 | 60.4 | 0 | 0 | 0 | 109.8 | R97 L98 I143 M153 | R97-L107 WeakPolarHBondContact CA-O 3.41Å; L98-L107 HydrophobicContact CB-CB 4.31Å; L98-L107 PolarHBondContact N-O 2.84Å; L98-L107 PolarHBondContact O-N 3.07Å; L107-I143 HydrophobicContact CD2-CD1 4.47Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; L107-M153 HydrophobicContact CB-CB 4.32Å; L107-M153 HydrophobicContact CB-CG 3.98Å; L107-M153 HydrophobicContact CB-SD 3.65Å; L107-M153 HydrophobicContact CD2-CG 3.99Å; L107-M153 HydrophobicContact CD2-SD 4.37Å |
| 108 | L | 96.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 107 | -177.9 | 173.2 | 58.4 | 0 | 0 | 0 | 110.6 | I79 M95 R97 R110 | I79-L108 HydrophobicContact CD1-CD1 4.41Å; M95-L108 HydrophobicContact CB-CD1 3.85Å; M95-L108 HydrophobicContact CE-CD1 4.18Å; M95-L108 HydrophobicContact CE-CD2 4.48Å; M95-L108 HydrophobicContact SD-CD1 4.18Å; M95-L108 HydrophobicContact SD-CD2 4.48Å; R97-L108 HydrophobicContact CG-CD1 3.71Å; L108-R110 HydrophobicContact CG-CG 4Å |
| 109 | L | 96.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138.7 | 170.6 | -53.1 | 178.9 | 0 | 0 | 0 | 109.6 | M95 V96 L98 F112 L129 I131 F141 I143 S155 | M95-L109 WeakPolarHBondContact CB-O 3.26Å; V96-L109 HydrophobicContact CB-CB 4.34Å; V96-L109 HydrophobicContact CB-CD1 4.47Å; V96-L109 PolarHBondContact N-O 2.94Å; V96-L109 PolarHBondContact O-N 3.46Å; L98-L109 HydrophobicContact CD1-CD1 3.89Å; L98-L109 HydrophobicContact CD1-CD2 4.46Å; L98-L109 HydrophobicContact CD1-CG 3.73Å; L109-F112 HydrophobicContact CB-CE2 3.89Å; L109-F112 HydrophobicContact CB-CZ 3.81Å; L109-L129 HydrophobicContact CD1-CD2 4.09Å; L109-I131 HydrophobicContact CD1-CD1 3.78Å; L109-F141 HydrophobicContact CD1-CB 4.28Å; L109-F141 HydrophobicContact CD1-CD1 4.3Å; L109-F141 HydrophobicContact CD1-CD2 3.93Å; L109-F141 HydrophobicContact CD1-CE2 4.3Å; L109-F141 HydrophobicContact CD1-CG 3.91Å; L109-F141 HydrophobicContact CD2-CD1 3.97Å; L109-F141 HydrophobicContact CD2-CE1 4.16Å; L109-F141 HydrophobicContact CD2-CG 4.39Å; L109-I143 HydrophobicContact CD1-CD1 4.42Å; L109-I143 HydrophobicContact CD2-CD1 4.42Å; L109-S155 VanDerWaalsContact CD2-OG 3.29Å; L109-S155 WeakPolarHBondContact CD2-OG 3.49Å |
| 110 | R | 91.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 49.8 Ų | 49.8 | 46% | 0.457 | 27% | 0.268 | S | S | . | . | trans | -136.4 | -177.2 | -176.8 | -57.2 | -173.3 | -178.7 | -114.4 | 16.6 | 110 | M95 L108 F112 | M95-R110 HydrophobicContact CG-CG 4.41Å; M95-R110 HydrophobicContact SD-CG 3.92Å; M95-R110 PolarHBondContact SD-NH1 2.99Å; M95-R110 VanDerWaalsContact SD-NH1 3.42Å; L108-R110 HydrophobicContact CG-CG 4Å; R110-F112 PolarHBondContact O-N 3.05Å | ||
| 111 | S | 84.7 | Confident | 91.9 | Very high | 124 Ų | 124 | 49.8 Ų | 49.8 | 87% | 0.867 | 27% | 0.267 | S | S | * | . | trans | 67.3 | 30.9 | 172.2 | -50 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 112 | F | 91.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | trans | -72.4 | 161.1 | 164.3 | -57.2 | -80.5 | 0 | 0 | 0 | 110.9 | V93 G94 V96 L109 R110 I116 I131 F141 | V93-F112 VanDerWaalsContact CG1-O 3.26Å; V93-F112 WeakPolarHBondContact CG1-O 3.35Å; G94-F112 WeakPolarHBondContact O-CD2 3.34Å; V96-F112 HydrophobicContact CG2-CE2 4.24Å; V96-F112 HydrophobicContact CG2-CZ 4.18Å; L109-F112 HydrophobicContact CB-CE2 3.89Å; L109-F112 HydrophobicContact CB-CZ 3.81Å; R110-F112 PolarHBondContact O-N 3.05Å; F112-I116 HydrophobicContact CB-CD1 3.9Å; F112-I116 HydrophobicContact CD1-CD1 3.85Å; F112-I116 HydrophobicContact CD2-CD1 3.66Å; F112-I116 HydrophobicContact CE1-CD1 4.32Å; F112-I116 HydrophobicContact CE2-CD1 4.13Å; F112-I116 HydrophobicContact CG-CD1 3.5Å; F112-I116 VanDerWaalsContact CG-CD1 3.5Å; F112-I116 HydrophobicContact CZ-CD1 4.44Å; F112-I131 HydrophobicContact CD1-CG2 4.1Å; F112-I131 HydrophobicContact CE1-CB 4.19Å; F112-I131 HydrophobicContact CE1-CD1 3.67Å; F112-I131 HydrophobicContact CE1-CG2 3.64Å; F112-I131 HydrophobicContact CZ-CD1 3.56Å; F112-I131 HydrophobicContact CZ-CG2 4.29Å; F112-F141 AromaticContact CE1-CE2 3.88Å; F112-F141 HydrophobicContact CE1-CE2 3.88Å; F112-F141 HydrophobicContact CE1-CZ 4.43Å; F112-F141 HydrophobicContact CZ-CE2 4.06Å; F112-F141 HydrophobicContact CZ-CZ 4.42Å | ||
| 113 | T | 88.6 | Confident | 92.3 | Very high | 87 Ų | 87 | 42 Ų | 42 | 53% | 0.534 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -76.2 | -40.8 | -175.1 | -32.8 | 0 | 0 | 0 | 0 | 111.6 | D133 S135 | T113-D133 WeakPolarHBondContact CA-OD2 3.47Å; T113-D133 WeakPolarHBondContact CB-OD2 3.12Å; T113-D133 PolarHBondContact N-OD2 3.25Å; T113-D133 PolarHBondContact OG1-OD2 3.23Å; T113-S135 WeakPolarHBondContact CB-OG 3.48Å; T113-S135 PolarHBondContact OG1-OG 2.96Å |
| 114 | D | 89.3 | Confident | 92.4 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -141.7 | -171.5 | -174.4 | -160.2 | -17.4 | 0 | 0 | 0 | 109.8 | G94 D133 H134 | G94-D114 PolarHBondContact N-O 2.97Å; D114-D133 PolarHBondContact N-OD2 3.33Å; D114-H134 HydrophobicContact CB-CB 4.07Å; D114-H134 IonicContact OD1-CE1 2.72Å; D114-H134 PolarHBondContact OD1-CE1 2.71Å; D114-H134 IonicContact OD1-ND1 3.11Å; D114-H134 WeakPolarHBondContact OD2-CB 3.39Å; D114-H134 CovalentContact OD2-CE1 1.82Å; D114-H134 IonicContact OD2-CE1 2.77Å; D114-H134 PolarHBondContact OD2-CE1 2.99Å; D114-H134 IonicContact OD2-CG 3.16Å; D114-H134 IonicContact OD2-ND1 2.7Å; D114-H134 PolarHBondContact OD2-ND1 3.18Å |
| 115 | R | 88.7 | Confident | 92.5 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 22% | 0.223 | 22% | 0.221 | C | C | . | . | trans | -56.3 | 139.4 | 166.9 | 66.5 | -167.9 | 179 | 156.9 | 6.3 | 111.2 | H134 D171 | R115-H134 HydrophobicContact CG-CB 3.53Å; R115-H134 VanDerWaalsContact NE-CG 3.34Å; R115-H134 PolarHBondContact NE-ND1 3.48Å; R115-H134 PolarHBondContact NH2-CD2 2.84Å; R115-H134 VanDerWaalsContact NH2-CD2 3.25Å; R115-H134 WeakPolarHBondContact O-CB 3.46Å; R115-H134 PolarHBondContact O-N 2.89Å; R115-D171 IonicContact CZ-OD1 3.18Å; R115-D171 IonicContact NH1-OD1 3.05Å; R115-D171 IonicContact NH2-OD1 3.62Å; R115-D171 PolarHBondContact NH2-OD1 2.96Å | ||
| 116 | I | 91.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139.8 | 176.6 | -43.3 | -55.5 | 0 | 0 | 0 | 109.3 | L65 A78 V96 F112 I119 I131 L132 | L65-I116 HydrophobicContact CD2-CB 3.87Å; L65-I116 HydrophobicContact CD2-CG2 3.63Å; A78-I116 HydrophobicContact CB-CB 4.02Å; A78-I116 HydrophobicContact CB-CG1 4.15Å; A78-I116 HydrophobicContact CB-CG2 4.4Å; V96-I116 HydrophobicContact CG2-CD1 4.16Å; V96-I116 HydrophobicContact CG2-CG1 3.9Å; V96-I116 HydrophobicContact CG2-CG2 4.41Å; F112-I116 HydrophobicContact CB-CD1 3.9Å; F112-I116 HydrophobicContact CD1-CD1 3.85Å; F112-I116 HydrophobicContact CD2-CD1 3.66Å; F112-I116 HydrophobicContact CE1-CD1 4.32Å; F112-I116 HydrophobicContact CE2-CD1 4.13Å; F112-I116 HydrophobicContact CG-CD1 3.5Å; F112-I116 VanDerWaalsContact CG-CD1 3.5Å; F112-I116 HydrophobicContact CZ-CD1 4.44Å; I116-I119 HydrophobicContact CG2-CG2 3.66Å; I116-I131 HydrophobicContact CD1-CG2 4.13Å; I116-I131 HydrophobicContact CG2-CG2 3.82Å; I116-L132 WeakPolarHBondContact CG2-O 3.26Å |
| 117 | T | 90.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -35.3 | 173.1 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | T63 L65 L132 H134 S173 | T63-T117 WeakPolarHBondContact CB-O 3.1Å; T63-T117 PolarHBondContact OG1-O 3.3Å; L65-T117 VanDerWaalsContact CD2-C 3.43Å; L65-T117 WeakPolarHBondContact CD2-O 3.48Å; L65-T117 WeakPolarHBondContact CG-O 3.47Å; T117-L132 PolarHBondContact N-O 2.75Å; T117-L132 PolarHBondContact OG1-O 3.32Å; T117-H134 HydrophobicContact CG2-CB 3.69Å; T117-S173 WeakPolarHBondContact CB-OG 3.29Å; T117-S173 PolarHBondContact OG1-OG 3.31Å |
| 118 | C | 92.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 146.3 | 174 | -68.2 | 0 | 0 | 0 | 0 | 112 | R64 I131 L132 S173 L175 | R64-C118 CarbonylContact O-C 3.51Å; R64-C118 WeakPolarHBondContact O-CA 3.29Å; C118-I131 WeakPolarHBondContact O-CA 3.45Å; C118-L132 HydrophobicContact CB-CB 4.23Å; C118-L132 PolarHBondContact N-O 2.82Å; C118-L132 VanDerWaalsContact N-O 3.11Å; C118-L132 PolarHBondContact O-N 2.91Å; C118-S173 PolarHBondContact SG-O 2.65Å; C118-L175 HydrophobicContact CB-CB 3.77Å |
| 119 | I | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140 | 165.6 | 68.7 | -175.4 | 0 | 0 | 0 | 109.9 | R64 L65 A67 A76 V96 I116 L129 G130 I131 | R64-I119 PolarHBondContact O-N 3.2Å; L65-I119 WeakPolarHBondContact O-CD1 3.3Å; A67-I119 HydrophobicContact CB-CG1 4.17Å; A76-I119 HydrophobicContact CB-CD1 3.98Å; A76-I119 WeakPolarHBondContact O-CD1 3.39Å; V96-I119 HydrophobicContact CG1-CD1 4.31Å; V96-I119 HydrophobicContact CG2-CG2 4.03Å; I116-I119 HydrophobicContact CG2-CG2 3.66Å; I119-L129 HydrophobicContact CB-CD1 4.33Å; I119-G130 CarbonylContact C-O 3.58Å; I119-G130 VanDerWaalsContact CA-O 3.32Å; I119-G130 WeakPolarHBondContact CA-O 3.4Å; I119-I131 HydrophobicContact CG2-CB 4.4Å; I119-I131 HydrophobicContact CG2-CG1 4.04Å; I119-I131 HydrophobicContact CG2-CG2 4.1Å |
| 120 | D | 96.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.1 | 167.3 | -157 | 14 | 0 | 0 | 0 | 113 | R64 G130 L175 W177 | R64-D120 IonicContact CZ-OD1 2.69Å; R64-D120 IonicContact CZ-OD2 2.75Å; R64-D120 IonicContact NE-OD1 3.69Å; R64-D120 IonicContact NE-OD2 2.71Å; R64-D120 VanDerWaalsContact NH1-CG 3.35Å; R64-D120 IonicContact NH1-OD1 3.28Å; R64-D120 IonicContact NH1-OD2 3.78Å; R64-D120 PolarHBondContact NH1-OD2 3.32Å; R64-D120 IonicContact NH2-OD1 3.94Å; R64-D120 PolarHBondContact NH2-OD1 3.11Å; R64-D120 IonicContact NH2-OD2 3.64Å; R64-D120 PolarHBondContact NH2-OD2 2.88Å; R64-D120 VanDerWaalsContact NH2-OD2 3.16Å; D120-G130 PolarHBondContact N-O 3.35Å; D120-G130 PolarHBondContact O-N 3.28Å; D120-L175 HydrophobicContact CB-CD2 3.96Å; D120-W177 PolarHBondContact O-NE1 2.97Å |
| 121 | F | 96.8 | Very high | 93 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 141.1 | 174.3 | -76 | -80.6 | 0 | 0 | 0 | 110.9 | A67 H69 L74 A76 L98 A127 L128 L129 | A67-F121 HydrophobicContact CB-CD2 3.82Å; A67-F121 HydrophobicContact CB-CE2 4.28Å; H69-F121 HydrophobicContact CB-CD1 4.21Å; H69-F121 HydrophobicContact CB-CD2 4.14Å; H69-F121 HydrophobicContact CB-CE1 4.2Å; H69-F121 HydrophobicContact CB-CE2 4.13Å; H69-F121 HydrophobicContact CB-CG 4.18Å; H69-F121 HydrophobicContact CB-CZ 4.16Å; L74-F121 HydrophobicContact CD2-CE1 4.21Å; L74-F121 HydrophobicContact CD2-CZ 4.07Å; L74-F121 HydrophobicContact CG-CZ 4.2Å; A76-F121 HydrophobicContact CB-CE2 3.69Å; A76-F121 HydrophobicContact CB-CZ 3.85Å; L98-F121 HydrophobicContact CD2-CZ 4.21Å; F121-A127 HydrophobicContact CD1-CB 4.48Å; F121-A127 HydrophobicContact CE1-CB 4.09Å; F121-L128 WeakPolarHBondContact CA-O 3.42Å; F121-L129 HydrophobicContact CD1-CB 3.97Å; F121-L129 HydrophobicContact CD1-CD1 4.08Å; F121-L129 HydrophobicContact CD2-CD1 4.07Å; F121-L129 HydrophobicContact CE1-CB 3.78Å; F121-L129 HydrophobicContact CE1-CD1 4.03Å; F121-L129 HydrophobicContact CE1-CG 4.32Å; F121-L129 HydrophobicContact CE2-CD1 4.02Å; F121-L129 HydrophobicContact CG-CD1 4.11Å; F121-L129 HydrophobicContact CZ-CB 4.43Å; F121-L129 HydrophobicContact CZ-CD1 4.01Å; F121-L129 HydrophobicContact CZ-CD2 4.39Å |
| 122 | A | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | trans | -65.5 | 154.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | L124 L128 W177 | A122-L124 HydrophobicContact CB-CD1 4.22Å; A122-L124 HydrophobicContact CB-CG 4.21Å; A122-L124 PolarHBondContact O-N 2.97Å; A122-L128 HydrophobicContact CB-CB 4.14Å; A122-L128 HydrophobicContact CB-CD2 4.28Å; A122-L128 PolarHBondContact N-O 2.74Å; A122-W177 HydrophobicContact CB-CD2 3.65Å; A122-W177 HydrophobicContact CB-CE3 3.82Å; A122-W177 HydrophobicContact CB-CG 4.01Å; A122-W177 HydrophobicContact CB-CH2 4.48Å; A122-W177 HydrophobicContact CB-CZ2 4.33Å; A122-W177 HydrophobicContact CB-CZ3 4.24Å | ||
| 123 | L | 92.2 | Very high | 93.5 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -82.7 | 43.5 | -178.9 | -152.9 | 80.3 | 0 | 0 | 0 | 113.1 | H70 L181 V335 | H70-L123 HydrophobicContact CB-CD1 3.64Å; H70-L123 PolarHBondContact CE1-O 3.16Å; L123-L181 HydrophobicContact CD2-CB 4.06Å; L123-L181 HydrophobicContact CD2-CD1 3.89Å; L123-L181 HydrophobicContact CG-CD1 4.17Å; L123-V335 HydrophobicContact CD2-CG1 3.31Å |
| 124 | L | 91.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 12% | 0.12 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -98.5 | 157.2 | 178.8 | -68.3 | 175.9 | 0 | 0 | 0 | 111.2 | H69 H70 A122 E126 L128 H182 S206 L207 | H69-L124 PolarHBondContact NE2-O 3.45Å; H69-L124 VanDerWaalsContact NE2-O 3.17Å; H70-L124 VanDerWaalsContact CE1-C 3.41Å; H70-L124 PolarHBondContact CE1-O 3.29Å; H70-L124 PolarHBondContact ND1-O 3.28Å; A122-L124 HydrophobicContact CB-CD1 4.22Å; A122-L124 HydrophobicContact CB-CG 4.21Å; A122-L124 PolarHBondContact O-N 2.97Å; L124-E126 VanDerWaalsContact C-N 3.26Å; L124-E126 WeakPolarHBondContact CB-O 3.44Å; L124-L128 HydrophobicContact CD1-CB 4.29Å; L124-L128 HydrophobicContact CD1-CD2 4.12Å; L124-H182 HydrophobicContact CD2-CB 3.89Å; L124-S206 WeakPolarHBondContact CD2-OG 3.31Å; L124-L207 HydrophobicContact CD1-CD2 3.85Å |
| 125 | S | 91 | Very high | 93.7 | Very high | 94 Ų | 94 | 20.7 Ų | 20.7 | 66% | 0.657 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -71 | -26 | 170 | -52.3 | 0 | 0 | 0 | 0 | 112 | H69 | H69-S125 PolarHBondContact CE1-O 3.17Š|
| 126 | E | 92.4 | Very high | 93.8 | Very high | 109 Ų | 109 | 18.5 Ų | 18.5 | 51% | 0.509 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -82.6 | 135.6 | 167.4 | -57.8 | -163.1 | 133.1 | 0 | 0 | 110.1 | L124 L128 K142 | L124-E126 VanDerWaalsContact C-N 3.26Å; L124-E126 WeakPolarHBondContact CB-O 3.44Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.45Å; E126-K142 WeakPolarHBondContact OE1-CE 3.14Å; E126-K142 IonicContact OE1-NZ 2.69Å; E126-K142 PolarHBondContact OE1-NZ 2.94Å; E126-K142 WeakPolarHBondContact OE2-CE 3.44Å; E126-K142 IonicContact OE2-NZ 3.7Å; E126-K142 PolarHBondContact OE2-NZ 3.09Å |
| 127 | A | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 81.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H69 L74 F121 I143 | H69-A127 WeakPolarHBondContact NE2-CA 3.34Å; L74-A127 HydrophobicContact CD2-CB 3.71Å; F121-A127 HydrophobicContact CD1-CB 4.48Å; F121-A127 HydrophobicContact CE1-CB 4.09Å; A127-I143 HydrophobicContact CB-CB 3.97Å; A127-I143 WeakPolarHBondContact O-CB 3.2Å; A127-I143 WeakPolarHBondContact O-CG1 3.38Å; A127-I143 PolarHBondContact O-N 3.35Å |
| 128 | L | 96.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.2 | 173.7 | -164.2 | 74.3 | 0 | 0 | 0 | 110 | F121 A122 L124 E126 V140 F141 K142 F158 W177 L207 | F121-L128 WeakPolarHBondContact CA-O 3.42Å; A122-L128 HydrophobicContact CB-CB 4.14Å; A122-L128 HydrophobicContact CB-CD2 4.28Å; A122-L128 PolarHBondContact N-O 2.74Å; L124-L128 HydrophobicContact CD1-CB 4.29Å; L124-L128 HydrophobicContact CD1-CD2 4.12Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.45Å; L128-V140 HydrophobicContact CD1-CG1 3.69Å; L128-V140 HydrophobicContact CD2-CG1 4.04Å; L128-V140 HydrophobicContact CG-CG1 3.64Å; L128-F141 CarbonylContact C-O 3.59Å; L128-F141 WeakPolarHBondContact CA-O 3.43Å; L128-K142 HydrophobicContact CD1-CB 4.05Å; L128-F158 HydrophobicContact CD1-CB 4.28Å; L128-F158 HydrophobicContact CD1-CD1 4.17Å; L128-F158 HydrophobicContact CD1-CG 4.2Å; L128-W177 HydrophobicContact CD2-CH2 3.75Å; L128-W177 HydrophobicContact CD2-CZ2 4.34Å; L128-W177 HydrophobicContact CD2-CZ3 4.24Å; L128-W177 HydrophobicContact CG-CH2 4.37Å; L128-L207 HydrophobicContact CD2-CD2 3.53Å |
| 129 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.5 | -173.4 | 179.4 | 61.7 | 0 | 0 | 0 | 110.7 | A76 V96 L98 L109 I119 F121 I131 V140 F141 | A76-L129 HydrophobicContact CB-CD1 4.02Å; A76-L129 HydrophobicContact CB-CD2 3.75Å; V96-L129 HydrophobicContact CG1-CD2 4.25Å; L98-L129 HydrophobicContact CD2-CD2 4.17Å; L109-L129 HydrophobicContact CD1-CD2 4.09Å; I119-L129 HydrophobicContact CB-CD1 4.33Å; F121-L129 HydrophobicContact CD1-CB 3.97Å; F121-L129 HydrophobicContact CD1-CD1 4.08Å; F121-L129 HydrophobicContact CD2-CD1 4.07Å; F121-L129 HydrophobicContact CE1-CB 3.78Å; F121-L129 HydrophobicContact CE1-CD1 4.03Å; F121-L129 HydrophobicContact CE1-CG 4.32Å; F121-L129 HydrophobicContact CE2-CD1 4.02Å; F121-L129 HydrophobicContact CG-CD1 4.11Å; F121-L129 HydrophobicContact CZ-CB 4.43Å; F121-L129 HydrophobicContact CZ-CD1 4.01Å; F121-L129 HydrophobicContact CZ-CD2 4.39Å; L129-I131 HydrophobicContact CD2-CD1 4.08Å; L129-I131 HydrophobicContact CD2-CG1 4.35Å; L129-I131 HydrophobicContact CG-CD1 4.23Å; L129-I131 HydrophobicContact CG-CG1 4.01Å; L129-V140 CarbonylContact O-C 3.52Å; L129-V140 WeakPolarHBondContact O-CA 3.44Å; L129-F141 PolarHBondContact N-O 3.38Å; L129-F141 PolarHBondContact O-N 3.41Å |
| 130 | G | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I119 D120 N139 | I119-G130 CarbonylContact C-O 3.58Å; I119-G130 VanDerWaalsContact CA-O 3.32Å; I119-G130 WeakPolarHBondContact CA-O 3.4Å; D120-G130 PolarHBondContact N-O 3.35Å; D120-G130 PolarHBondContact O-N 3.28Å; G130-N139 CarbonylContact C-O 3.58Å |
| 131 | I | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 129.1 | -175.4 | -56.1 | 176.4 | 0 | 0 | 0 | 108.4 | V96 L109 F112 I116 C118 I119 L129 V138 N139 F141 | V96-I131 HydrophobicContact CB-CD1 4.37Å; V96-I131 HydrophobicContact CG2-CD1 4Å; V96-I131 HydrophobicContact CG2-CG2 4.47Å; L109-I131 HydrophobicContact CD1-CD1 3.78Å; F112-I131 HydrophobicContact CD1-CG2 4.1Å; F112-I131 HydrophobicContact CE1-CB 4.19Å; F112-I131 HydrophobicContact CE1-CD1 3.67Å; F112-I131 HydrophobicContact CE1-CG2 3.64Å; F112-I131 HydrophobicContact CZ-CD1 3.56Å; F112-I131 HydrophobicContact CZ-CG2 4.29Å; I116-I131 HydrophobicContact CD1-CG2 4.13Å; I116-I131 HydrophobicContact CG2-CG2 3.82Å; C118-I131 WeakPolarHBondContact O-CA 3.45Å; I119-I131 HydrophobicContact CG2-CB 4.4Å; I119-I131 HydrophobicContact CG2-CG1 4.04Å; I119-I131 HydrophobicContact CG2-CG2 4.1Å; L129-I131 HydrophobicContact CD2-CD1 4.08Å; L129-I131 HydrophobicContact CD2-CG1 4.35Å; L129-I131 HydrophobicContact CG-CD1 4.23Å; L129-I131 HydrophobicContact CG-CG1 4.01Å; I131-V138 WeakPolarHBondContact O-CA 3.46Å; I131-N139 PolarHBondContact N-O 2.8Å; I131-N139 PolarHBondContact O-N 2.9Å; I131-F141 HydrophobicContact CD1-CD2 3.84Å; I131-F141 HydrophobicContact CD1-CE2 4.05Å |
| 132 | L | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.7 | 169.8 | 177.3 | 64.8 | 0 | 0 | 0 | 108.4 | I116 T117 C118 V138 L175 | I116-L132 WeakPolarHBondContact CG2-O 3.26Å; T117-L132 PolarHBondContact N-O 2.75Å; T117-L132 PolarHBondContact OG1-O 3.32Å; C118-L132 HydrophobicContact CB-CB 4.23Å; C118-L132 PolarHBondContact N-O 2.82Å; C118-L132 VanDerWaalsContact N-O 3.11Å; C118-L132 PolarHBondContact O-N 2.91Å; L132-V138 HydrophobicContact CD1-CG2 3.81Å; L132-L175 HydrophobicContact CB-CB 4.41Å; L132-L175 HydrophobicContact CB-CD1 3.84Å |
| 133 | D | 91.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 168 | 170 | 79.5 | 24.6 | 0 | 0 | 0 | 112.6 | T113 D114 S135 G136 A137 | T113-D133 WeakPolarHBondContact CA-OD2 3.47Å; T113-D133 WeakPolarHBondContact CB-OD2 3.12Å; T113-D133 PolarHBondContact N-OD2 3.25Å; T113-D133 PolarHBondContact OG1-OD2 3.23Å; D114-D133 PolarHBondContact N-OD2 3.33Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 WeakPolarHBondContact OD1-CA 3.49Å; D133-S135 VanDerWaalsContact OD1-CB 3.3Å; D133-S135 WeakPolarHBondContact OD1-CB 3.4Å; D133-S135 PolarHBondContact OD1-N 3.13Å; D133-S135 PolarHBondContact OD1-OG 3.43Å; D133-G136 PolarHBondContact O-N 3.1Å; D133-G136 PolarHBondContact OD1-N 3.41Å; D133-A137 PolarHBondContact N-O 3.01Å; D133-A137 VanDerWaalsContact N-O 3.16Å; D133-A137 PolarHBondContact OD1-N 3.38Å |
| 134 | H | 90.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 25 Ų | 25 | 21% | 0.213 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.4 | -175.4 | 179.9 | -116.1 | 0 | 0 | 0 | 113.5 | D114 R115 T117 G136 P169 L170 | D114-H134 HydrophobicContact CB-CB 4.07Å; D114-H134 IonicContact OD1-CE1 2.72Å; D114-H134 PolarHBondContact OD1-CE1 2.71Å; D114-H134 IonicContact OD1-ND1 3.11Å; D114-H134 WeakPolarHBondContact OD2-CB 3.39Å; D114-H134 CovalentContact OD2-CE1 1.82Å; D114-H134 IonicContact OD2-CE1 2.77Å; D114-H134 PolarHBondContact OD2-CE1 2.99Å; D114-H134 IonicContact OD2-CG 3.16Å; D114-H134 IonicContact OD2-ND1 2.7Å; D114-H134 PolarHBondContact OD2-ND1 3.18Å; R115-H134 HydrophobicContact CG-CB 3.53Å; R115-H134 VanDerWaalsContact NE-CG 3.34Å; R115-H134 PolarHBondContact NE-ND1 3.48Å; R115-H134 PolarHBondContact NH2-CD2 2.84Å; R115-H134 VanDerWaalsContact NH2-CD2 3.25Å; R115-H134 WeakPolarHBondContact O-CB 3.46Å; R115-H134 PolarHBondContact O-N 2.89Å; T117-H134 HydrophobicContact CG2-CB 3.69Å; H134-G136 PolarHBondContact O-N 3.38Å; H134-P169 VanDerWaalsContact NE2-CB 3.28Å; H134-P169 WeakPolarHBondContact NE2-CB 3.34Å; H134-P169 WeakPolarHBondContact O-CA 3.33Å; H134-P169 VanDerWaalsContact O-CB 3.25Å; H134-P169 WeakPolarHBondContact O-CB 3.41Å; H134-L170 PolarHBondContact CD2-O 3.28Å |
| 135 | S | 90.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.1 | 171.3 | 79.9 | 0 | 0 | 0 | 0 | 112.8 | T113 D133 P163 F167 | T113-S135 WeakPolarHBondContact CB-OG 3.48Å; T113-S135 PolarHBondContact OG1-OG 2.96Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 WeakPolarHBondContact OD1-CA 3.49Å; D133-S135 VanDerWaalsContact OD1-CB 3.3Å; D133-S135 WeakPolarHBondContact OD1-CB 3.4Å; D133-S135 PolarHBondContact OD1-N 3.13Å; D133-S135 PolarHBondContact OD1-OG 3.43Å; S135-P163 WeakPolarHBondContact O-CB 3.36Å; S135-P163 VanDerWaalsContact O-CG 3.28Å; S135-P163 WeakPolarHBondContact O-CG 3.48Å; S135-F167 WeakPolarHBondContact O-CD1 3.21Å; S135-F167 WeakPolarHBondContact O-CE1 3.33Å |
| 136 | G | 92.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | trans | 93.2 | 7.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D133 H134 | D133-G136 PolarHBondContact O-N 3.1Å; D133-G136 PolarHBondContact OD1-N 3.41Å; H134-G136 PolarHBondContact O-N 3.38Å | ||
| 137 | A | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -78 | 125.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D133 L161 | D133-A137 PolarHBondContact N-O 3.01Å; D133-A137 VanDerWaalsContact N-O 3.16Å; D133-A137 PolarHBondContact OD1-N 3.38Å; A137-L161 WeakPolarHBondContact CA-O 3.46Å | ||
| 138 | V | 96.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.7 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 109 | I131 L132 S160 L161 L209 Y211 | I131-V138 WeakPolarHBondContact O-CA 3.46Å; L132-V138 HydrophobicContact CD1-CG2 3.81Å; V138-S160 CarbonylContact O-C 3.55Å; V138-S160 WeakPolarHBondContact O-CA 3.12Å; V138-L161 PolarHBondContact N-O 3.31Å; V138-L161 PolarHBondContact O-N 3.33Å; V138-L209 HydrophobicContact CG1-CD2 4.1Å; V138-Y211 HydrophobicContact CG2-CD1 4.02Å; V138-Y211 HydrophobicContact CG2-CD2 3.59Å; V138-Y211 HydrophobicContact CG2-CE1 4.07Å; V138-Y211 HydrophobicContact CG2-CE2 3.64Å; V138-Y211 HydrophobicContact CG2-CG 3.78Å |
| 139 | N | 96.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 34 Ų | 34 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.3 | 179.6 | -62.4 | -83.9 | 0 | 0 | 0 | 109.9 | G130 I131 F141 L157 F159 S160 | G130-N139 CarbonylContact C-O 3.58Å; I131-N139 PolarHBondContact N-O 2.8Å; I131-N139 PolarHBondContact O-N 2.9Å; N139-F141 HydrophobicContact CB-CD2 4.5Å; N139-F141 HydrophobicContact CB-CE2 3.92Å; N139-L157 HydrophobicContact CB-CD1 4.37Å; N139-F159 CarbonylContact C-O 3.58Å; N139-S160 WeakPolarHBondContact OD1-CB 3.47Å; N139-S160 PolarHBondContact OD1-OG 2.84Å |
| 140 | V | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.8 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | L128 L129 F158 F159 W177 L209 V222 | L128-V140 HydrophobicContact CD1-CG1 3.69Å; L128-V140 HydrophobicContact CD2-CG1 4.04Å; L128-V140 HydrophobicContact CG-CG1 3.64Å; L129-V140 CarbonylContact O-C 3.52Å; L129-V140 WeakPolarHBondContact O-CA 3.44Å; V140-F158 HydrophobicContact CG1-CB 4.38Å; V140-F158 HydrophobicContact CG1-CD1 4.19Å; V140-F158 WeakPolarHBondContact O-CB 3.28Å; V140-F158 PolarHBondContact O-N 3.48Å; V140-F159 HydrophobicContact CB-CB 4.19Å; V140-F159 HydrophobicContact CG2-CB 4.49Å; V140-F159 HydrophobicContact CG2-CD1 4.17Å; V140-F159 PolarHBondContact N-O 3.28Å; V140-F159 PolarHBondContact O-N 3.2Å; V140-W177 HydrophobicContact CG1-CH2 3.89Å; V140-W177 HydrophobicContact CG1-CZ2 3.99Å; V140-W177 HydrophobicContact CG2-CH2 4.11Å; V140-W177 HydrophobicContact CG2-CZ2 4.16Å; V140-L209 HydrophobicContact CG2-CD2 4.1Å; V140-V222 HydrophobicContact CG2-CG1 4.32Å |
| 141 | F | 97.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.4 | 179 | -70.9 | -97 | 0 | 0 | 0 | 110.7 | L109 F112 L128 L129 I131 N139 I143 S156 L157 | L109-F141 HydrophobicContact CD1-CB 4.28Å; L109-F141 HydrophobicContact CD1-CD1 4.3Å; L109-F141 HydrophobicContact CD1-CD2 3.93Å; L109-F141 HydrophobicContact CD1-CE2 4.3Å; L109-F141 HydrophobicContact CD1-CG 3.91Å; L109-F141 HydrophobicContact CD2-CD1 3.97Å; L109-F141 HydrophobicContact CD2-CE1 4.16Å; L109-F141 HydrophobicContact CD2-CG 4.39Å; F112-F141 AromaticContact CE1-CE2 3.88Å; F112-F141 HydrophobicContact CE1-CE2 3.88Å; F112-F141 HydrophobicContact CE1-CZ 4.43Å; F112-F141 HydrophobicContact CZ-CE2 4.06Å; F112-F141 HydrophobicContact CZ-CZ 4.42Å; L128-F141 CarbonylContact C-O 3.59Å; L128-F141 WeakPolarHBondContact CA-O 3.43Å; L129-F141 PolarHBondContact N-O 3.38Å; L129-F141 PolarHBondContact O-N 3.41Å; I131-F141 HydrophobicContact CD1-CD2 3.84Å; I131-F141 HydrophobicContact CD1-CE2 4.05Å; N139-F141 HydrophobicContact CB-CD2 4.5Å; N139-F141 HydrophobicContact CB-CE2 3.92Å; F141-I143 HydrophobicContact CB-CD1 4Å; F141-S156 CarbonylContact C-O 3.49Å; F141-S156 WeakPolarHBondContact CA-O 3.4Å; F141-L157 HydrophobicContact CD1-CB 4.36Å; F141-L157 HydrophobicContact CD1-CD1 4.26Å; F141-L157 HydrophobicContact CD2-CD1 4.24Å; F141-L157 HydrophobicContact CE1-CB 4.12Å; F141-L157 HydrophobicContact CE1-CD1 3.92Å; F141-L157 HydrophobicContact CE2-CD1 3.89Å; F141-L157 HydrophobicContact CG-CD1 4.42Å; F141-L157 HydrophobicContact CZ-CD1 3.73Å |
| 142 | K | 96.3 | Very high | 89.7 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.2 | 163.5 | 177.4 | 167.4 | 175.7 | 163.5 | 0 | 108.3 | E126 L128 S155 S156 | E126-K142 WeakPolarHBondContact OE1-CE 3.14Å; E126-K142 IonicContact OE1-NZ 2.69Å; E126-K142 PolarHBondContact OE1-NZ 2.94Å; E126-K142 WeakPolarHBondContact OE2-CE 3.44Å; E126-K142 IonicContact OE2-NZ 3.7Å; E126-K142 PolarHBondContact OE2-NZ 3.09Å; L128-K142 HydrophobicContact CD1-CB 4.05Å; K142-S155 VanDerWaalsContact O-CA 3.29Å; K142-S155 WeakPolarHBondContact O-CA 3.43Å; K142-S156 PolarHBondContact N-O 3.22Å; K142-S156 PolarHBondContact O-N 2.98Å |
| 143 | I | 97.1 | Very high | 89.5 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.5 | -179.4 | -47.6 | -61.2 | 0 | 0 | 0 | 109.1 | L74 L98 L107 L109 A127 F141 M153 T154 | L74-I143 HydrophobicContact CD2-CG2 4.19Å; L98-I143 HydrophobicContact CD1-CD1 4.5Å; L98-I143 HydrophobicContact CD2-CB 4.46Å; L98-I143 HydrophobicContact CD2-CD1 3.92Å; L98-I143 HydrophobicContact CD2-CG1 3.72Å; L98-I143 HydrophobicContact CD2-CG2 4.06Å; L107-I143 HydrophobicContact CD2-CD1 4.47Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; L109-I143 HydrophobicContact CD1-CD1 4.42Å; L109-I143 HydrophobicContact CD2-CD1 4.42Å; A127-I143 HydrophobicContact CB-CB 3.97Å; A127-I143 WeakPolarHBondContact O-CB 3.2Å; A127-I143 WeakPolarHBondContact O-CG1 3.38Å; A127-I143 PolarHBondContact O-N 3.35Å; F141-I143 HydrophobicContact CB-CD1 4Å; I143-M153 HydrophobicContact CG2-CG 3.96Å; I143-M153 HydrophobicContact CG2-SD 4.13Å; I143-T154 WeakPolarHBondContact CA-O 3.43Å |
| 144 | D | 95.2 | Very high | 89.7 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.4 | 167.6 | -163.4 | -26.3 | 0 | 0 | 0 | 109.1 | G146 M153 T154 | D144-G146 PolarHBondContact OD1-N 3.38Å; D144-M153 CarbonylContact O-C 3.57Å; D144-M153 WeakPolarHBondContact O-CA 3.02Å; D144-M153 VanDerWaalsContact O-CG 3.22Å; D144-M153 WeakPolarHBondContact O-CG 3.37Å; D144-T154 PolarHBondContact N-O 3.33Å; D144-T154 PolarHBondContact O-N 3.08Å |
| 145 | Q | 91.9 | Very high | 89.9 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | trans | -91.9 | -8 | -178.3 | -63.3 | 177.6 | 80.6 | 0 | 0 | 112.5 | S72 L74 N100 K105 M153 | S72-Q145 PolarHBondContact OG-NE2 3.37Å; S72-Q145 PolarHBondContact OG-OE1 3.5Å; L74-Q145 HydrophobicContact CD2-CG 4.15Å; N100-Q145 PolarHBondContact ND2-OE1 3.3Å; N100-Q145 VanDerWaalsContact ND2-OE1 3.14Å; K105-Q145 PolarHBondContact NZ-O 3.23Å; Q145-M153 HydrophobicContact CG-CE 4.31Å | ||
| 146 | G | 84.7 | Confident | 90.1 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | trans | 75.8 | 151.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D144 | D144-G146 PolarHBondContact OD1-N 3.38Š| ||
| 147 | L | 78.6 | Confident | 90.2 | Very high | 175 Ų | 175 | 61 Ų | 61 | 92% | 0.916 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -88.3 | -36.8 | 179.7 | -67.7 | 171.4 | 0 | 0 | 0 | 111.5 | D151 | L147-D151 PolarHBondContact N-OD2 3.22Š|
| 148 | C | 75.5 | Confident | 90.1 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -98.1 | 164.3 | 177.8 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | K105 E150 D151 | K105-C148 PolarHBondContact NZ-O 3.05Å; C148-E150 VanDerWaalsContact C-N 3.28Å; C148-E150 PolarHBondContact O-N 2.87Å; C148-D151 PolarHBondContact N-OD2 3.47Å; C148-D151 PolarHBondContact O-N 3.14Å |
| 149 | S | 72.7 | Confident | 89.9 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 74% | 0.741 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -64.3 | -32.3 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | K105 | K105-S149 VanDerWaalsContact CE-O 3.32Å; K105-S149 WeakPolarHBondContact CE-O 3.11Å |
| 150 | E | 77.9 | Confident | 89.9 | Confident | 180 Ų | 180 | 63.5 Ų | 63.5 | 84% | 0.841 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -80.7 | -22.7 | -178 | -60.5 | -174.9 | 176.6 | 0 | 0 | 113.4 | C148 L152 | C148-E150 VanDerWaalsContact C-N 3.28Å; C148-E150 PolarHBondContact O-N 2.87Å; E150-L152 PolarHBondContact O-N 2.95Å |
| 151 | D | 84.7 | Confident | 89.8 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -60.3 | 130.3 | -178.9 | -64.3 | -13.1 | 0 | 0 | 0 | 111.3 | K105 L147 C148 | K105-D151 WeakPolarHBondContact CE-O 3.24Å; K105-D151 PolarHBondContact NZ-O 2.85Å; L147-D151 PolarHBondContact N-OD2 3.22Å; C148-D151 PolarHBondContact N-OD2 3.47Å; C148-D151 PolarHBondContact O-N 3.14Å |
| 152 | L | 86.8 | Confident | 89.6 | Confident | 147 Ų | 147 | 65.2 Ų | 65.2 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -68 | 140.1 | 172.9 | -73.2 | 161.4 | 0 | 0 | 0 | 110.7 | E150 | E150-L152 PolarHBondContact O-N 2.95Š|
| 153 | M | 93 | Very high | 89.4 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 129.9 | 168.4 | -175.4 | -176.2 | -70 | 0 | 0 | 108.6 | L74 L98 N100 K105 L107 I143 D144 Q145 | L74-M153 HydrophobicContact CD1-CE 3.58Å; L74-M153 HydrophobicContact CD1-SD 3.93Å; L98-M153 HydrophobicContact CB-SD 4.19Å; N100-M153 HydrophobicContact CB-CE 3.87Å; K105-M153 HydrophobicContact CB-CB 4.47Å; K105-M153 HydrophobicContact CB-CE 3.92Å; L107-M153 HydrophobicContact CB-CB 4.32Å; L107-M153 HydrophobicContact CB-CG 3.98Å; L107-M153 HydrophobicContact CB-SD 3.65Å; L107-M153 HydrophobicContact CD2-CG 3.99Å; L107-M153 HydrophobicContact CD2-SD 4.37Å; I143-M153 HydrophobicContact CG2-CG 3.96Å; I143-M153 HydrophobicContact CG2-SD 4.13Å; D144-M153 CarbonylContact O-C 3.57Å; D144-M153 WeakPolarHBondContact O-CA 3.02Å; D144-M153 VanDerWaalsContact O-CG 3.22Å; D144-M153 WeakPolarHBondContact O-CG 3.37Å; Q145-M153 HydrophobicContact CG-CE 4.31Å |
| 154 | T | 94.8 | Very high | 89 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 168.1 | -177.1 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | I143 D144 | I143-T154 WeakPolarHBondContact CA-O 3.43Å; D144-T154 PolarHBondContact N-O 3.33Å; D144-T154 PolarHBondContact O-N 3.08Å |
| 155 | S | 94.9 | Very high | 88.4 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 137.9 | 178 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | L109 K142 | L109-S155 VanDerWaalsContact CD2-OG 3.29Å; L109-S155 WeakPolarHBondContact CD2-OG 3.49Å; K142-S155 VanDerWaalsContact O-CA 3.29Å; K142-S155 WeakPolarHBondContact O-CA 3.43Å |
| 156 | S | 94.1 | Very high | 88 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 46% | 0.462 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.9 | 165 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | F141 K142 F158 | F141-S156 CarbonylContact C-O 3.49Å; F141-S156 WeakPolarHBondContact CA-O 3.4Å; K142-S156 PolarHBondContact N-O 3.22Å; K142-S156 PolarHBondContact O-N 2.98Å; S156-F158 PolarHBondContact O-N 2.83Å |
| 157 | L | 94.2 | Very high | 88 | Confident | 53 Ų | 53 | 76.4 Ų | 76.4 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 112 | 170 | -178.8 | 65.1 | 0 | 0 | 0 | 107.9 | N139 F141 F159 T243 | N139-L157 HydrophobicContact CB-CD1 4.37Å; F141-L157 HydrophobicContact CD1-CB 4.36Å; F141-L157 HydrophobicContact CD1-CD1 4.26Å; F141-L157 HydrophobicContact CD2-CD1 4.24Å; F141-L157 HydrophobicContact CE1-CB 4.12Å; F141-L157 HydrophobicContact CE1-CD1 3.92Å; F141-L157 HydrophobicContact CE2-CD1 3.89Å; F141-L157 HydrophobicContact CG-CD1 4.42Å; F141-L157 HydrophobicContact CZ-CD1 3.73Å; L157-F159 WeakPolarHBondContact CD1-O 3.34Å; L157-T243 WeakPolarHBondContact O-CG2 3.42Å |
| 158 | F | 93.3 | Very high | 88.3 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -42.3 | -178.1 | -176 | -107.7 | 0 | 0 | 0 | 111.3 | L128 V140 S156 V222 V226 | L128-F158 HydrophobicContact CD1-CB 4.28Å; L128-F158 HydrophobicContact CD1-CD1 4.17Å; L128-F158 HydrophobicContact CD1-CG 4.2Å; V140-F158 HydrophobicContact CG1-CB 4.38Å; V140-F158 HydrophobicContact CG1-CD1 4.19Å; V140-F158 WeakPolarHBondContact O-CB 3.28Å; V140-F158 PolarHBondContact O-N 3.48Å; S156-F158 PolarHBondContact O-N 2.83Å; F158-V222 HydrophobicContact CD1-CG1 4Å; F158-V222 HydrophobicContact CE1-CG1 3.9Å; F158-V226 HydrophobicContact CD1-CG2 4.48Å; F158-V226 HydrophobicContact CE1-CG2 4.2Å |
| 159 | F | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 145 | -179.8 | 173.9 | -107.6 | 0 | 0 | 0 | 110.5 | N139 V140 L157 L161 I220 V222 V225 V226 L229 T243 | N139-F159 CarbonylContact C-O 3.58Å; V140-F159 HydrophobicContact CB-CB 4.19Å; V140-F159 HydrophobicContact CG2-CB 4.49Å; V140-F159 HydrophobicContact CG2-CD1 4.17Å; V140-F159 PolarHBondContact N-O 3.28Å; V140-F159 PolarHBondContact O-N 3.2Å; L157-F159 WeakPolarHBondContact CD1-O 3.34Å; F159-L161 HydrophobicContact CE1-CB 3.78Å; F159-L161 HydrophobicContact CZ-CB 3.67Å; F159-L161 HydrophobicContact CZ-CD1 4.31Å; F159-L161 HydrophobicContact CZ-CD2 4.28Å; F159-L161 HydrophobicContact CZ-CG 4.31Å; F159-I220 HydrophobicContact CD1-CD1 4.41Å; F159-I220 HydrophobicContact CE1-CD1 3.56Å; F159-I220 HydrophobicContact CZ-CD1 4.12Å; F159-V222 HydrophobicContact CB-CG1 3.81Å; F159-V222 HydrophobicContact CD1-CG1 3.96Å; F159-V222 HydrophobicContact CG-CG1 3.95Å; F159-V225 HydrophobicContact CD2-CG1 4.5Å; F159-V225 HydrophobicContact CE2-CG1 3.61Å; F159-V225 HydrophobicContact CZ-CG1 3.81Å; F159-V226 HydrophobicContact CB-CG2 3.74Å; F159-V226 HydrophobicContact CD2-CG2 3.66Å; F159-V226 HydrophobicContact CG-CG2 4.01Å; F159-L229 HydrophobicContact CE2-CD1 3.94Å; F159-T243 CarbonylContact C-O 3.59Å |
| 160 | S | 94.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.028 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 128.5 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 109 | V138 N139 T243 S244 W245 | V138-S160 CarbonylContact O-C 3.55Å; V138-S160 WeakPolarHBondContact O-CA 3.12Å; N139-S160 WeakPolarHBondContact OD1-CB 3.47Å; N139-S160 PolarHBondContact OD1-OG 2.84Å; S160-T243 PolarHBondContact N-O 2.86Å; S160-S244 WeakPolarHBondContact CB-OG 3.49Å; S160-S244 WeakPolarHBondContact O-CA 3.49Å; S160-S244 PolarHBondContact OG-OG 3.26Å; S160-W245 PolarHBondContact O-N 2.98Å |
| 161 | L | 95.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.3 | 179.7 | -171.7 | 67.3 | 0 | 0 | 0 | 109.4 | A137 V138 F159 Y211 W245 L250 | A137-L161 WeakPolarHBondContact CA-O 3.46Å; V138-L161 PolarHBondContact N-O 3.31Å; V138-L161 PolarHBondContact O-N 3.33Å; F159-L161 HydrophobicContact CE1-CB 3.78Å; F159-L161 HydrophobicContact CZ-CB 3.67Å; F159-L161 HydrophobicContact CZ-CD1 4.31Å; F159-L161 HydrophobicContact CZ-CD2 4.28Å; F159-L161 HydrophobicContact CZ-CG 4.31Å; L161-Y211 WeakPolarHBondContact CD2-OH 3.22Å; L161-W245 WeakPolarHBondContact CA-O 3.19Å; L161-L250 HydrophobicContact CD1-CB 4.1Å; L161-L250 HydrophobicContact CD1-CD2 3.82Å; L161-L250 HydrophobicContact CD2-CD2 3.65Å; L161-L250 HydrophobicContact CG-CD2 4.42Å |
| 162 | N | 94 | Very high | 89 | Confident | 56 Ų | 56 | 59 Ų | 59 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.9 | -179.6 | -60.7 | -77.9 | 0 | 0 | 0 | 110.7 | S244 W245 E247 | N162-S244 PolarHBondContact ND2-OG 2.86Å; N162-W245 PolarHBondContact N-O 3.36Å; N162-W245 PolarHBondContact ND2-O 3.01Å; N162-E247 PolarHBondContact O-N 3.03Å |
| 163 | P | 91.9 | Very high | 89.2 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 163.9 | 177.5 | 33.2 | -40.2 | 0 | 0 | 0 | 111.5 | S135 F167 | S135-P163 WeakPolarHBondContact O-CB 3.36Å; S135-P163 VanDerWaalsContact O-CG 3.28Å; S135-P163 WeakPolarHBondContact O-CG 3.48Å; P163-F167 HydrophobicContact CB-CB 3.93Å; P163-F167 HydrophobicContact CB-CD1 4.49Å; P163-F167 HydrophobicContact CB-CD2 4.3Å; P163-F167 HydrophobicContact CB-CG 3.99Å |
| 164 | P | 88.6 | Confident | 89.2 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 29% | 0.292 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 151.4 | 170.6 | 31.1 | -35.7 | 0 | 0 | 0 | 111.3 | N166 F167 | P164-N166 PolarHBondContact O-N 3.06Å; P164-F167 HydrophobicContact CG-CB 4.28Å; P164-F167 VanDerWaalsContact O-CB 3.23Å; P164-F167 WeakPolarHBondContact O-CB 3.2Å; P164-F167 PolarHBondContact O-N 3.26Å |
| 165 | E | 82.4 | Confident | 89.2 | Confident | 212 Ų | 212 | 49.6 Ų | 49.6 | 99% | 0.991 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.9 | -174.6 | -61.8 | 177.9 | 171.2 | 0 | 0 | 114.4 | ||
| 166 | N | 83.4 | Confident | 89.3 | Confident | 128 Ų | 128 | 48.3 Ų | 48.3 | 68% | 0.684 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 10.4 | 178.6 | 67.3 | -18.5 | 0 | 0 | 0 | 114 | P164 | P164-N166 PolarHBondContact O-N 3.06Š|
| 167 | F | 86 | Confident | 89.4 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 20% | 0.202 | 24% | 0.243 | C | C | . | . | trans | -56.3 | 156.6 | 179.7 | -173 | -95.5 | 0 | 0 | 0 | 112.3 | S135 P163 P164 P169 A213 R1129 | S135-F167 WeakPolarHBondContact O-CD1 3.21Å; S135-F167 WeakPolarHBondContact O-CE1 3.33Å; P163-F167 HydrophobicContact CB-CB 3.93Å; P163-F167 HydrophobicContact CB-CD1 4.49Å; P163-F167 HydrophobicContact CB-CD2 4.3Å; P163-F167 HydrophobicContact CB-CG 3.99Å; P164-F167 HydrophobicContact CG-CB 4.28Å; P164-F167 VanDerWaalsContact O-CB 3.23Å; P164-F167 WeakPolarHBondContact O-CB 3.2Å; P164-F167 PolarHBondContact O-N 3.26Å; F167-P169 HydrophobicContact CD1-CG 4.46Å; F167-A213 HydrophobicContact CE2-CB 4.32Å; F167-R1129 PolarHBondContact O-NH2 3.46Å; F167-R1129 VanDerWaalsContact O-NH2 3.13Å | ||
| 168 | V | 84.4 | Confident | 89.3 | Confident | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.297 | 23% | 0.23 | S | C | . | . | trans | -126.2 | 102.6 | -175.5 | -162.3 | 0 | 0 | 0 | 0 | 108.1 | H214 | V168-H214 VanDerWaalsContact CB-CE1 3.5Å; V168-H214 WeakPolarHBondContact CB-CE1 3.48Å; V168-H214 PolarHBondContact O-CE1 3.34Å; V168-H214 PolarHBondContact O-ND1 3.01Å | ||
| 169 | P | 83.5 | Confident | 89.2 | Confident | 50 Ų | 50 | 41.6 Ų | 41.6 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | trans | -55.2 | 145.8 | 175.3 | -29.4 | 37.9 | 0 | 0 | 0 | 113.2 | H134 F167 | H134-P169 VanDerWaalsContact NE2-CB 3.28Å; H134-P169 WeakPolarHBondContact NE2-CB 3.34Å; H134-P169 WeakPolarHBondContact O-CA 3.33Å; H134-P169 VanDerWaalsContact O-CB 3.25Å; H134-P169 WeakPolarHBondContact O-CB 3.41Å; F167-P169 HydrophobicContact CD1-CG 4.46Å | ||
| 170 | L | 81.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | trans | -138.3 | 144 | 174.7 | -73 | -177.2 | 0 | 0 | 0 | 111.8 | H134 V172 H214 A273 | H134-L170 PolarHBondContact CD2-O 3.28Å; L170-V172 PolarHBondContact O-N 3.15Å; L170-V172 VanDerWaalsContact O-N 3.16Å; L170-H214 HydrophobicContact CD1-CB 4.47Å; L170-H214 WeakPolarHBondContact CD1-ND1 3.34Å; L170-H214 WeakPolarHBondContact CG-CE1 3.37Å; L170-H214 WeakPolarHBondContact CG-ND1 3.27Å; L170-A273 HydrophobicContact CD1-CB 3.55Å | ||
| 171 | D | 77.8 | Confident | 88.2 | Confident | 69 Ų | 69 | 44.4 Ų | 44.4 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -59.6 | -20.1 | 171.9 | -102.8 | 49.7 | 0 | 0 | 0 | 114.2 | V62 R115 K392 | V62-D171 WeakPolarHBondContact CG1-O 3.4Å; V62-D171 WeakPolarHBondContact CG2-O 3.44Å; R115-D171 IonicContact CZ-OD1 3.18Å; R115-D171 IonicContact NH1-OD1 3.05Å; R115-D171 IonicContact NH2-OD1 3.62Å; R115-D171 PolarHBondContact NH2-OD1 2.96Å; D171-K392 WeakPolarHBondContact OD2-CE 3.41Å; D171-K392 IonicContact OD2-NZ 2.66Å; D171-K392 PolarHBondContact OD2-NZ 2.79Å |
| 172 | V | 82.7 | Confident | 87.2 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | trans | -116.1 | 131.8 | 177.7 | -79.7 | 0 | 0 | 0 | 0 | 111.2 | V62 L170 A273 L291 | V62-V172 HydrophobicContact CG1-CG1 3.74Å; L170-V172 PolarHBondContact O-N 3.15Å; L170-V172 VanDerWaalsContact O-N 3.16Å; V172-A273 HydrophobicContact CG2-CB 3.74Å; V172-L291 HydrophobicContact CG2-CD1 4.39Å | ||
| 173 | S | 89.2 | Confident | 85.8 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | trans | -156.8 | 164.4 | 174.9 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | T63 T117 C118 S212 | T63-S173 WeakPolarHBondContact CG2-O 3.15Å; T117-S173 WeakPolarHBondContact CB-OG 3.29Å; T117-S173 PolarHBondContact OG1-OG 3.31Å; C118-S173 PolarHBondContact SG-O 2.65Å; S173-S212 VanDerWaalsContact CA-OG 3.22Å; S173-S212 WeakPolarHBondContact CA-OG 3.48Å; S173-S212 VanDerWaalsContact CB-OG 3.29Å; S173-S212 WeakPolarHBondContact CB-OG 3.42Å | ||
| 174 | S | 93.2 | Very high | 84.7 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | trans | -139.1 | 146.8 | 175.6 | -163.9 | 0 | 0 | 0 | 0 | 111 | Y211 S212 L277 | S174-Y211 CarbonylContact O-C 3.58Å; S174-Y211 VanDerWaalsContact O-CA 3.3Å; S174-Y211 WeakPolarHBondContact O-CA 3.23Å; S174-S212 PolarHBondContact N-OG 3Å; S174-S212 PolarHBondContact O-N 3.43Å; S174-S212 PolarHBondContact O-OG 2.8Å; S174-L277 PolarHBondContact OG-N 2.7Å | ||
| 175 | L | 95.9 | Very high | 83.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.3 | 174.9 | 176.3 | 147.7 | 0 | 0 | 0 | 108 | C118 D120 L132 L209 A210 | C118-L175 HydrophobicContact CB-CB 3.77Å; D120-L175 HydrophobicContact CB-CD2 3.96Å; L132-L175 HydrophobicContact CB-CB 4.41Å; L132-L175 HydrophobicContact CB-CD1 3.84Å; L175-L209 HydrophobicContact CD1-CD1 4.2Å; L175-L209 HydrophobicContact CD2-CD1 3.87Å; L175-L209 HydrophobicContact CG-CD1 3.77Å; L175-A210 WeakPolarHBondContact CA-O 3.38Å |
| 176 | V | 95.8 | Very high | 81.8 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 129.8 | -177.3 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | A210 L277 L279 | V176-A210 HydrophobicContact CG1-CB 4Å; V176-A210 PolarHBondContact N-O 3.13Å; V176-A210 PolarHBondContact O-N 3.03Å; V176-L277 HydrophobicContact CG1-CB 3.58Å; V176-L279 HydrophobicContact CG1-CD1 4.32Å; V176-L279 HydrophobicContact CG1-CG 4.33Å |
| 177 | W | 96 | Very high | 80.2 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 154.5 | 167.9 | -67 | 96 | 0 | 0 | 0 | 110.6 | D120 A122 L128 V140 P179 L209 V222 | D120-W177 PolarHBondContact O-NE1 2.97Å; A122-W177 HydrophobicContact CB-CD2 3.65Å; A122-W177 HydrophobicContact CB-CE3 3.82Å; A122-W177 HydrophobicContact CB-CG 4.01Å; A122-W177 HydrophobicContact CB-CH2 4.48Å; A122-W177 HydrophobicContact CB-CZ2 4.33Å; A122-W177 HydrophobicContact CB-CZ3 4.24Å; L128-W177 HydrophobicContact CD2-CH2 3.75Å; L128-W177 HydrophobicContact CD2-CZ2 4.34Å; L128-W177 HydrophobicContact CD2-CZ3 4.24Å; L128-W177 HydrophobicContact CG-CH2 4.37Å; V140-W177 HydrophobicContact CG1-CH2 3.89Å; V140-W177 HydrophobicContact CG1-CZ2 3.99Å; V140-W177 HydrophobicContact CG2-CH2 4.11Å; V140-W177 HydrophobicContact CG2-CZ2 4.16Å; W177-P179 WeakPolarHBondContact O-CD 3.22Å; W177-L209 HydrophobicContact CD2-CB 4.33Å; W177-L209 HydrophobicContact CD2-CD1 3.82Å; W177-L209 HydrophobicContact CE3-CB 3.87Å; W177-L209 HydrophobicContact CE3-CD1 4.23Å; W177-L209 HydrophobicContact CG-CD1 4.08Å; W177-L209 HydrophobicContact CH2-CB 4.4Å; W177-L209 HydrophobicContact CH2-CD2 4.04Å; W177-L209 HydrophobicContact CZ2-CD1 4.36Å; W177-L209 HydrophobicContact CZ2-CD2 4.05Å; W177-L209 HydrophobicContact CZ3-CB 3.9Å; W177-L209 HydrophobicContact CZ3-CD2 4.39Å; W177-V222 HydrophobicContact CH2-CG2 3.89Å; W177-V222 HydrophobicContact CZ3-CB 4.48Å; W177-V222 HydrophobicContact CZ3-CG2 3.82Å |
| 178 | C | 93.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -59.2 | 125.7 | 165.8 | -180 | 0 | 0 | 0 | 0 | 109.7 | W180 P205 V208 L279 R281 A283 | C178-W180 PolarHBondContact O-N 3.48Å; C178-P205 WeakPolarHBondContact CB-O 3.4Å; C178-V208 HydrophobicContact CB-CB 4.06Å; C178-V208 PolarHBondContact N-O 2.88Å; C178-L279 HydrophobicContact CB-CD1 4.17Å; C178-R281 PolarHBondContact SG-O 2.66Å; C178-A283 HydrophobicContact CB-CB 4.38Å | ||
| 179 | P | 90.2 | Very high | 76.6 | Confident | 35 Ų | 35 | 46 Ų | 46 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | trans | -80.2 | 42.1 | -179.3 | 30.6 | -29.2 | 0 | 0 | 0 | 112.3 | W177 R281 V335 | W177-P179 WeakPolarHBondContact O-CD 3.22Å; P179-R281 HydrophobicContact CG-CB 4.4Å; P179-V335 HydrophobicContact CB-CG2 4.05Å; P179-V335 WeakPolarHBondContact O-CG1 3.33Å | ||
| 180 | W | 86 | Confident | 74.5 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -85.7 | 123.4 | 177.6 | -179.5 | -101.2 | 0 | 0 | 0 | 111.6 | C178 H182 S184 A187 D204 P205 R281 | C178-W180 PolarHBondContact O-N 3.48Å; W180-H182 PolarHBondContact O-N 3.15Å; W180-S184 WeakPolarHBondContact CH2-OG 3.21Å; W180-S184 VanDerWaalsContact CZ2-CB 3.49Å; W180-S184 WeakPolarHBondContact CZ2-O 3.37Å; W180-A187 HydrophobicContact CH2-CB 3.96Å; W180-A187 HydrophobicContact CZ2-CB 4.04Å; W180-D204 PolarHBondContact NE1-OD1 3.17Å; W180-P205 HydrophobicContact CB-CG 3.88Å; W180-P205 HydrophobicContact CD2-CG 3.8Å; W180-P205 HydrophobicContact CE3-CG 4.25Å; W180-P205 HydrophobicContact CG-CG 3.65Å; W180-R281 WeakPolarHBondContact CB-O 3.49Å; W180-R281 HydrophobicContact CE3-CG 4.35Å; W180-R281 VanDerWaalsContact CE3-O 3.31Å | ||
| 181 | L | 81.3 | Confident | 72.6 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 29% | 0.293 | 30% | 0.295 | S | S | . | . | trans | -80.7 | 114.6 | 174.8 | -166.7 | 70.6 | 0 | 0 | 0 | 109.9 | H70 L123 G183 S184 | H70-L181 WeakPolarHBondContact NE2-CD1 3.38Å; L123-L181 HydrophobicContact CD2-CB 4.06Å; L123-L181 HydrophobicContact CD2-CD1 3.89Å; L123-L181 HydrophobicContact CG-CD1 4.17Å; L181-G183 PolarHBondContact O-N 2.79Å; L181-S184 VanDerWaalsContact O-CB 3.23Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.88Å | ||
| 182 | H | 72.9 | Confident | 70.8 | Confident | 117 Ų | 117 | 54 Ų | 54 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.4 | -178.4 | -177 | 88.1 | 0 | 0 | 0 | 111.9 | L124 W180 D204 | L124-H182 HydrophobicContact CD2-CB 3.89Å; W180-H182 PolarHBondContact O-N 3.15Å; H182-D204 IonicContact CE1-OD2 2.88Å; H182-D204 PolarHBondContact CE1-OD2 3.07Å; H182-D204 IonicContact CG-OD2 3.92Å; H182-D204 IonicContact ND1-OD2 2.77Å; H182-D204 PolarHBondContact ND1-OD2 3.3Å |
| 183 | G | 66.2 | Low | 68.8 | Low | 63 Ų | 63 | 59.2 Ų | 59.2 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L181 | L181-G183 PolarHBondContact O-N 2.79Š|
| 184 | S | 67.6 | Low | 66.6 | Low | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | trans | -58.2 | 145.7 | 161.6 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | W180 L181 N338 | W180-S184 WeakPolarHBondContact CH2-OG 3.21Å; W180-S184 VanDerWaalsContact CZ2-CB 3.49Å; W180-S184 WeakPolarHBondContact CZ2-O 3.37Å; L181-S184 VanDerWaalsContact O-CB 3.23Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.88Å; S184-N338 PolarHBondContact OG-OD1 2.98Å | ||
| 185 | K | 58.1 | Low | 64.6 | Low | 166 Ų | 166 | 68.7 Ų | 68.7 | 72% | 0.722 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -89.9 | -12.2 | -162.4 | -72.8 | -167.1 | 173.5 | -171 | 0 | 115.7 | ||
| 186 | T | 52.6 | Low | 62.5 | Low | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.27 | 43% | 0.425 | S | S | . | . | trans | -137.2 | 63.5 | -154.7 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | L188 E340 | T186-L188 VanDerWaalsContact C-N 3.34Å; T186-L188 PolarHBondContact O-N 3.36Å; T186-L188 VanDerWaalsContact O-N 3.1Å; T186-E340 HydrophobicContact CG2-CG 4.1Å; T186-E340 WeakPolarHBondContact CG2-OE1 3.32Å | ||
| 187 | A | 49.7 | Very low | 60.7 | Low | 28 Ų | 28 | 78.1 Ų | 78.1 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -81.7 | 77.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | W180 | W180-A187 HydrophobicContact CH2-CB 3.96Å; W180-A187 HydrophobicContact CZ2-CB 4.04Å |
| 188 | L | 51.3 | Low | 58.9 | Low | 76 Ų | 76 | 80.9 Ų | 80.9 | 40% | 0.398 | 46% | 0.458 | S | S | . | . | trans | 58.5 | 138.3 | -172.2 | -85.1 | 176.5 | 0 | 0 | 0 | 116.2 | T186 L190 P201 T284 V301 | T186-L188 VanDerWaalsContact C-N 3.34Å; T186-L188 PolarHBondContact O-N 3.36Å; T186-L188 VanDerWaalsContact O-N 3.1Å; L188-L190 PolarHBondContact O-N 2.93Å; L188-P201 HydrophobicContact CB-CG 4.35Å; L188-P201 HydrophobicContact CD1-CB 4.5Å; L188-P201 HydrophobicContact CD1-CG 4.11Å; L188-T284 HydrophobicContact CD1-CG2 3.45Å; L188-T284 VanDerWaalsContact CD1-CG2 3.45Å; L188-T284 HydrophobicContact CD2-CG2 4.36Å; L188-T284 HydrophobicContact CG-CG2 3.76Å; L188-V301 HydrophobicContact CD1-CG1 4.06Å | ||
| 189 | P | 42.7 | Very low | 57.4 | Low | 94 Ų | 94 | 81.7 Ų | 81.7 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | trans | -62.1 | 119.8 | 155.3 | -14.8 | 29.7 | 0 | 0 | 0 | 108.3 | A191 | P189-A191 PolarHBondContact O-N 2.95Š| ||
| 190 | L | 40.5 | Very low | 56 | Low | 108 Ų | 108 | 82.3 Ų | 82.3 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | trans | -61.6 | 113.8 | 173.9 | -163 | 77.4 | 0 | 0 | 0 | 107.9 | L188 N192 | L188-L190 PolarHBondContact O-N 2.93Å; L190-N192 PolarHBondContact O-N 3.17Å; L190-N192 VanDerWaalsContact O-N 3.12Å | ||
| 191 | A | 41.5 | Very low | 54.8 | Low | 70 Ų | 70 | 83.3 Ų | 83.3 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | trans | -62.9 | 117.2 | 177 | 0 | 0 | 0 | 0 | 0 | 108.3 | P189 D193 V194 | P189-A191 PolarHBondContact O-N 2.95Å; A191-D193 CarbonylContact O-C 3.59Å; A191-D193 PolarHBondContact O-N 3.4Å; A191-D193 VanDerWaalsContact O-N 3.1Å; A191-V194 WeakPolarHBondContact O-CG2 3.32Å; A191-V194 PolarHBondContact O-N 3.07Å | ||
| 192 | N | 39.7 | Very low | 54 | Low | 157 Ų | 157 | 81.6 Ų | 81.6 | 84% | 0.84 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -65.1 | -15.8 | -174.6 | -72.9 | -43.1 | 0 | 0 | 0 | 113.2 | L190 V194 | L190-N192 PolarHBondContact O-N 3.17Å; L190-N192 VanDerWaalsContact O-N 3.12Å; N192-V194 PolarHBondContact O-N 3.19Å |
| 193 | D | 40.8 | Very low | 53.6 | Low | 137 Ų | 137 | 87.8 Ų | 87.8 | 73% | 0.733 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -91.4 | 74.6 | 165.5 | -62.6 | -59.6 | 0 | 0 | 0 | 110.1 | A191 H195 | A191-D193 CarbonylContact O-C 3.59Å; A191-D193 PolarHBondContact O-N 3.4Å; A191-D193 VanDerWaalsContact O-N 3.1Å; D193-H195 PolarHBondContact O-N 3.49Å; D193-H195 VanDerWaalsContact O-N 3.09Å |
| 194 | V | 44.3 | Very low | 54.1 | Low | 90 Ų | 90 | 87 Ų | 87 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | trans | -73.7 | 97.5 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | A191 N192 | A191-V194 WeakPolarHBondContact O-CG2 3.32Å; A191-V194 PolarHBondContact O-N 3.07Å; N192-V194 PolarHBondContact O-N 3.19Å | ||
| 195 | H | 49.7 | Very low | 55 | Low | 138 Ų | 138 | 86 Ų | 86 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | trans | -76.5 | 148.1 | 162.2 | -70.3 | -65.7 | 0 | 0 | 0 | 110.4 | D193 D197 V198 | D193-H195 PolarHBondContact O-N 3.49Å; D193-H195 VanDerWaalsContact O-N 3.09Å; H195-D197 PolarHBondContact O-N 3.47Å; H195-V198 PolarHBondContact O-N 3.47Å | ||
| 196 | D | 51.7 | Low | 56.5 | Low | 142 Ų | 142 | 78.1 Ų | 78.1 | 76% | 0.759 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.7 | -175.9 | -64 | -59.2 | 0 | 0 | 0 | 114.8 | V198 R303 | D196-V198 VanDerWaalsContact C-N 3.28Å; D196-V198 PolarHBondContact O-N 3.02Å; D196-R303 PolarHBondContact O-NH1 3.47Å |
| 197 | D | 58 | Low | 58.4 | Low | 85 Ų | 85 | 78 Ų | 78 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 15.4 | -175.7 | -65.9 | 3.6 | 0 | 0 | 0 | 113.3 | H195 R303 T305 | H195-D197 PolarHBondContact O-N 3.47Å; D197-R303 WeakPolarHBondContact O-CB 3.43Å; D197-R303 PolarHBondContact O-N 2.84Å; D197-T305 WeakPolarHBondContact OD1-CG2 3.37Å |
| 198 | V | 59.3 | Low | 60.5 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 39% | 0.394 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -117.1 | 129.3 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | H195 D196 V301 R303 | H195-V198 PolarHBondContact O-N 3.47Å; D196-V198 VanDerWaalsContact C-N 3.28Å; D196-V198 PolarHBondContact O-N 3.02Å; V198-V301 CarbonylContact C-O 3.31Å; V198-V301 WeakPolarHBondContact CA-O 3.26Å; V198-V301 WeakPolarHBondContact CG1-O 3.32Å; V198-R303 PolarHBondContact O-NH2 2.95Å |
| 199 | F | 61.5 | Low | 62.7 | Low | 17 Ų | 17 | 73.1 Ų | 73.1 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | trans | -73.1 | 129.8 | 165.9 | -82.6 | -77.3 | 0 | 0 | 0 | 109.3 | P201 E260 L262 V301 R303 L312 | F199-P201 VanDerWaalsContact O-CD 3.28Å; F199-P201 WeakPolarHBondContact O-CD 3.31Å; F199-E260 VanDerWaalsContact CD1-O 3.31Å; F199-E260 WeakPolarHBondContact CD1-O 3.49Å; F199-L262 HydrophobicContact CD1-CB 4.35Å; F199-V301 PolarHBondContact N-O 3.44Å; F199-R303 HydrophobicContact CD2-CB 3.69Å; F199-R303 HydrophobicContact CD2-CG 4.12Å; F199-R303 HydrophobicContact CE2-CB 3.73Å; F199-R303 HydrophobicContact CE2-CG 3.71Å; F199-R303 HydrophobicContact CG-CB 4.34Å; F199-R303 HydrophobicContact CZ-CB 4.41Å; F199-R303 HydrophobicContact CZ-CG 3.92Å; F199-L312 HydrophobicContact CE2-CD2 3.97Å | ||
| 200 | V | 60.6 | Low | 65.2 | Low | 48 Ų | 48 | 68.7 Ų | 68.7 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | trans | -67.7 | 115.3 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | E260 S261 | V200-E260 HydrophobicContact CG2-CB 4.24Å; V200-E260 PolarHBondContact N-O 2.92Å; V200-E260 VanDerWaalsContact N-O 3.15Å; V200-S261 WeakPolarHBondContact O-CA 3.27Å; V200-S261 WeakPolarHBondContact O-CB 3.41Å; V200-S261 PolarHBondContact O-OG 3.34Å | ||
| 201 | P | 60.3 | Low | 67.9 | Low | 28 Ų | 28 | 63.9 Ų | 63.9 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | trans | -60.6 | 138.3 | -179.3 | 25.6 | -34.3 | 0 | 0 | 0 | 109.6 | L188 F199 R203 V301 | L188-P201 HydrophobicContact CB-CG 4.35Å; L188-P201 HydrophobicContact CD1-CB 4.5Å; L188-P201 HydrophobicContact CD1-CG 4.11Å; F199-P201 VanDerWaalsContact O-CD 3.28Å; F199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-R203 PolarHBondContact O-N 3.45Å; P201-V301 HydrophobicContact CB-CG1 4.17Å | ||
| 202 | P | 64.2 | Low | 70.4 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 13% | 0.13 | 31% | 0.311 | C | S | . | . | trans | -62.7 | 132.9 | 179.3 | 26.9 | -33.8 | 0 | 0 | 0 | 109.7 | D204 P205 V208 | P202-D204 PolarHBondContact O-N 3.16Å; P202-P205 HydrophobicContact CG-CB 4.1Å; P202-V208 HydrophobicContact CG-CG2 4.3Å | ||
| 203 | R | 64.9 | Low | 72.9 | Confident | 248 Ų | 248 | 53.8 Ų | 53.8 | 94% | 0.936 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -54.7 | -26.4 | -179.4 | -70.5 | -174.7 | 176.5 | -169.1 | -0.8 | 113.7 | P201 | P201-R203 PolarHBondContact O-N 3.45Š|
| 204 | D | 77.6 | Confident | 75.1 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | trans | -130.8 | 107.2 | 166.2 | 179.8 | 11.9 | 0 | 0 | 0 | 109.2 | W180 H182 P202 S206 | W180-D204 PolarHBondContact NE1-OD1 3.17Å; H182-D204 IonicContact CE1-OD2 2.88Å; H182-D204 PolarHBondContact CE1-OD2 3.07Å; H182-D204 IonicContact CG-OD2 3.92Å; H182-D204 IonicContact ND1-OD2 2.77Å; H182-D204 PolarHBondContact ND1-OD2 3.3Å; P202-D204 PolarHBondContact O-N 3.16Å; D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 3.03Å; D204-S206 WeakPolarHBondContact OD1-CB 3.39Å; D204-S206 PolarHBondContact OD1-N 3.13Å; D204-S206 PolarHBondContact OD1-OG 3.44Å; D204-S206 PolarHBondContact OD2-OG 3.03Å | ||
| 205 | P | 86.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -81.5 | 3.2 | 175.4 | 30.9 | -33 | 0 | 0 | 0 | 114.3 | C178 W180 P202 L207 V208 A283 | C178-P205 WeakPolarHBondContact CB-O 3.4Å; W180-P205 HydrophobicContact CB-CG 3.88Å; W180-P205 HydrophobicContact CD2-CG 3.8Å; W180-P205 HydrophobicContact CE3-CG 4.25Å; W180-P205 HydrophobicContact CG-CG 3.65Å; P202-P205 HydrophobicContact CG-CB 4.1Å; P205-L207 PolarHBondContact O-N 3.44Å; P205-L207 VanDerWaalsContact O-N 3.09Å; P205-V208 HydrophobicContact CB-CG2 4.24Å; P205-V208 WeakPolarHBondContact O-CB 3.48Å; P205-V208 WeakPolarHBondContact O-CG2 3.23Å; P205-V208 PolarHBondContact O-N 2.86Å; P205-A283 HydrophobicContact CB-CB 3.61Å; P205-A283 HydrophobicContact CG-CB 4.48Å |
| 206 | S | 89.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -56.3 | -27.3 | -177.9 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | L124 D204 | L124-S206 WeakPolarHBondContact CD2-OG 3.31Å; D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 3.03Å; D204-S206 WeakPolarHBondContact OD1-CB 3.39Å; D204-S206 PolarHBondContact OD1-N 3.13Å; D204-S206 PolarHBondContact OD1-OG 3.44Å; D204-S206 PolarHBondContact OD2-OG 3.03Å |
| 207 | L | 93.1 | Very high | 81.5 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -90.7 | 7 | 177.1 | -65.6 | 178.2 | 0 | 0 | 0 | 114 | L124 L128 P205 V222 | L124-L207 HydrophobicContact CD1-CD2 3.85Å; L128-L207 HydrophobicContact CD2-CD2 3.53Å; P205-L207 PolarHBondContact O-N 3.44Å; P205-L207 VanDerWaalsContact O-N 3.09Å; L207-V222 PolarHBondContact O-N 3.46Å |
| 208 | V | 93.8 | Very high | 83.2 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.5 | 171.5 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | C178 P202 P205 V219 I220 N221 L279 A283 | C178-V208 HydrophobicContact CB-CB 4.06Å; C178-V208 PolarHBondContact N-O 2.88Å; P202-V208 HydrophobicContact CG-CG2 4.3Å; P205-V208 HydrophobicContact CB-CG2 4.24Å; P205-V208 WeakPolarHBondContact O-CB 3.48Å; P205-V208 WeakPolarHBondContact O-CG2 3.23Å; P205-V208 PolarHBondContact O-N 2.86Å; V208-V219 HydrophobicContact CG1-CG1 3.71Å; V208-I220 CarbonylContact C-O 3.56Å; V208-I220 WeakPolarHBondContact CA-O 3.09Å; V208-N221 HydrophobicContact CG2-CB 4.36Å; V208-L279 HydrophobicContact CG1-CD1 4.17Å; V208-L279 HydrophobicContact CG1-CD2 4.47Å; V208-A283 HydrophobicContact CB-CB 4.45Å; V208-A283 HydrophobicContact CG1-CB 4.42Å; V208-A283 HydrophobicContact CG2-CB 4.41Å |
| 209 | L | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.4 | -177.7 | 176.4 | 59.3 | 0 | 0 | 0 | 109 | V138 V140 L175 W177 V219 I220 V222 | V138-L209 HydrophobicContact CG1-CD2 4.1Å; V140-L209 HydrophobicContact CG2-CD2 4.1Å; L175-L209 HydrophobicContact CD1-CD1 4.2Å; L175-L209 HydrophobicContact CD2-CD1 3.87Å; L175-L209 HydrophobicContact CG-CD1 3.77Å; W177-L209 HydrophobicContact CD2-CB 4.33Å; W177-L209 HydrophobicContact CD2-CD1 3.82Å; W177-L209 HydrophobicContact CE3-CB 3.87Å; W177-L209 HydrophobicContact CE3-CD1 4.23Å; W177-L209 HydrophobicContact CG-CD1 4.08Å; W177-L209 HydrophobicContact CH2-CB 4.4Å; W177-L209 HydrophobicContact CH2-CD2 4.04Å; W177-L209 HydrophobicContact CZ2-CD1 4.36Å; W177-L209 HydrophobicContact CZ2-CD2 4.05Å; W177-L209 HydrophobicContact CZ3-CB 3.9Å; W177-L209 HydrophobicContact CZ3-CD2 4.39Å; L209-V219 WeakPolarHBondContact O-CA 3.36Å; L209-I220 HydrophobicContact CB-CG1 4.04Å; L209-I220 HydrophobicContact CD2-CD1 4.4Å; L209-I220 PolarHBondContact N-O 3.09Å; L209-I220 PolarHBondContact O-N 3.27Å; L209-V222 HydrophobicContact CB-CG2 3.85Å; L209-V222 HydrophobicContact CD2-CG2 3.98Å |
| 210 | A | 96.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L175 V176 K218 V219 L277 L279 L286 | L175-A210 WeakPolarHBondContact CA-O 3.38Å; V176-A210 HydrophobicContact CG1-CB 4Å; V176-A210 PolarHBondContact N-O 3.13Å; V176-A210 PolarHBondContact O-N 3.03Å; A210-K218 CarbonylContact C-O 3.54Å; A210-K218 VanDerWaalsContact CA-O 3.32Å; A210-K218 WeakPolarHBondContact CA-O 3.42Å; A210-V219 HydrophobicContact CB-CG2 4.24Å; A210-L277 HydrophobicContact CB-CD1 4.34Å; A210-L279 HydrophobicContact CB-CD1 3.92Å; A210-L279 HydrophobicContact CB-CD2 4.44Å; A210-L279 HydrophobicContact CB-CG 4.14Å; A210-L286 HydrophobicContact CB-CD1 4.18Å; A210-L286 HydrophobicContact CB-CD2 4.44Å |
| 211 | Y | 96.5 | Very high | 88 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.7 | 177.8 | 68.9 | -83.4 | 0 | 0 | 0 | 112.5 | V138 L161 S174 K218 I220 | V138-Y211 HydrophobicContact CG2-CD1 4.02Å; V138-Y211 HydrophobicContact CG2-CD2 3.59Å; V138-Y211 HydrophobicContact CG2-CE1 4.07Å; V138-Y211 HydrophobicContact CG2-CE2 3.64Å; V138-Y211 HydrophobicContact CG2-CG 3.78Å; L161-Y211 WeakPolarHBondContact CD2-OH 3.22Å; S174-Y211 CarbonylContact O-C 3.58Å; S174-Y211 VanDerWaalsContact O-CA 3.3Å; S174-Y211 WeakPolarHBondContact O-CA 3.23Å; Y211-K218 HydrophobicContact CD1-CB 4.19Å; Y211-K218 HydrophobicContact CE1-CB 3.64Å; Y211-K218 HydrophobicContact CE2-CB 4.04Å; Y211-K218 HydrophobicContact CE2-CD 4.02Å; Y211-K218 PolarHBondContact N-O 3.28Å; Y211-K218 PolarHBondContact O-N 2.85Å; Y211-K218 VanDerWaalsContact OH-CD 3.29Å; Y211-K218 WeakPolarHBondContact OH-CD 3.22Å; Y211-I220 HydrophobicContact CE1-CD1 4.31Å; Y211-I220 HydrophobicContact CE1-CG2 4.46Å |
| 212 | S | 94.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.8 | 176.5 | 61 | 0 | 0 | 0 | 0 | 111.9 | S173 S174 | S173-S212 VanDerWaalsContact CA-OG 3.22Å; S173-S212 WeakPolarHBondContact CA-OG 3.48Å; S173-S212 VanDerWaalsContact CB-OG 3.29Å; S173-S212 WeakPolarHBondContact CB-OG 3.42Å; S174-S212 PolarHBondContact N-OG 3Å; S174-S212 PolarHBondContact O-N 3.43Å; S174-S212 PolarHBondContact O-OG 2.8Å |
| 213 | A | 91.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 28 Ų | 28 | 8% | 0.083 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 85.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | F167 H215 K216 K218 | F167-A213 HydrophobicContact CE2-CB 4.32Å; A213-H215 PolarHBondContact O-N 2.84Å; A213-K216 HydrophobicContact CB-CB 4.38Å; A213-K216 PolarHBondContact N-O 2.79Å; A213-K216 WeakPolarHBondContact O-CB 3.38Å; A213-K216 PolarHBondContact O-N 3.02Å; A213-K218 HydrophobicContact CB-CD 4.19Å |
| 214 | H | 87.3 | Confident | 91.9 | Very high | 58 Ų | 58 | 18.7 Ų | 18.7 | 27% | 0.269 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -112.8 | -177.2 | -142.2 | 94.1 | 0 | 0 | 0 | 112.1 | V168 L170 I274 | V168-H214 VanDerWaalsContact CB-CE1 3.5Å; V168-H214 WeakPolarHBondContact CB-CE1 3.48Å; V168-H214 PolarHBondContact O-CE1 3.34Å; V168-H214 PolarHBondContact O-ND1 3.01Å; L170-H214 HydrophobicContact CD1-CB 4.47Å; L170-H214 WeakPolarHBondContact CD1-ND1 3.34Å; L170-H214 WeakPolarHBondContact CG-CE1 3.37Å; L170-H214 WeakPolarHBondContact CG-ND1 3.27Å; H214-I274 PolarHBondContact O-N 3.27Å |
| 215 | H | 90.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 16.5 Ų | 16.5 | 34% | 0.338 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.8 | 171.3 | 62.4 | -95.4 | 0 | 0 | 0 | 113.1 | A213 | A213-H215 PolarHBondContact O-N 2.84Š|
| 216 | K | 93 | Very high | 92.8 | Very high | 59 Ų | 59 | 17.1 Ų | 17.1 | 26% | 0.257 | 9% | 0.09 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 159.3 | 178.3 | -56.2 | -172.7 | 177.1 | -169.7 | 0 | 111.6 | A213 E266 L267 | A213-K216 HydrophobicContact CB-CB 4.38Å; A213-K216 PolarHBondContact N-O 2.79Å; A213-K216 WeakPolarHBondContact O-CB 3.38Å; A213-K216 PolarHBondContact O-N 3.02Å; K216-E266 HydrophobicContact CD-CG 4.05Å; K216-E266 IonicContact NZ-OE1 2.77Å; K216-E266 PolarHBondContact NZ-OE1 3.31Å; K216-E266 IonicContact NZ-OE2 3.22Å; K216-E266 PolarHBondContact NZ-OE2 3.45Å; K216-E266 VanDerWaalsContact NZ-OE2 3.13Å; K216-L267 CarbonylContact C-O 3.57Å; K216-L267 WeakPolarHBondContact CA-O 3.3Å; K216-L267 WeakPolarHBondContact CB-O 3.43Å |
| 217 | V | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.7 | 166.2 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | L267 I274 L277 L286 | V217-L267 HydrophobicContact CB-CB 4.15Å; V217-L267 HydrophobicContact CB-CD1 4.17Å; V217-L267 HydrophobicContact CB-CG 4.45Å; V217-L267 HydrophobicContact CG1-CD1 4.4Å; V217-L267 PolarHBondContact N-O 3.45Å; V217-L267 PolarHBondContact O-N 3.29Å; V217-I274 HydrophobicContact CG2-CD1 3.98Å; V217-I274 HydrophobicContact CG2-CG1 3.9Å; V217-I274 HydrophobicContact CG2-CG2 4.3Å; V217-L277 HydrophobicContact CB-CD2 4.31Å; V217-L277 HydrophobicContact CG1-CD1 3.89Å; V217-L277 HydrophobicContact CG1-CD2 3.59Å; V217-L277 HydrophobicContact CG1-CG 4.42Å; V217-L277 HydrophobicContact CG2-CD2 3.69Å; V217-L286 HydrophobicContact CG1-CD2 4.16Å |
| 218 | K | 94.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.8 | 174.2 | -73.2 | 172.5 | 176.5 | 162.9 | 0 | 109.4 | A210 Y211 A213 E247 Y264 A265 E266 | A210-K218 CarbonylContact C-O 3.54Å; A210-K218 VanDerWaalsContact CA-O 3.32Å; A210-K218 WeakPolarHBondContact CA-O 3.42Å; Y211-K218 HydrophobicContact CD1-CB 4.19Å; Y211-K218 HydrophobicContact CE1-CB 3.64Å; Y211-K218 HydrophobicContact CE2-CB 4.04Å; Y211-K218 HydrophobicContact CE2-CD 4.02Å; Y211-K218 PolarHBondContact N-O 3.28Å; Y211-K218 PolarHBondContact O-N 2.85Å; Y211-K218 VanDerWaalsContact OH-CD 3.29Å; Y211-K218 WeakPolarHBondContact OH-CD 3.22Å; A213-K218 HydrophobicContact CB-CD 4.19Å; K218-E247 IonicContact NZ-OE1 3.74Å; K218-E247 PolarHBondContact NZ-OE1 3.4Å; K218-E247 IonicContact NZ-OE2 3.45Å; K218-E247 PolarHBondContact NZ-OE2 2.93Å; K218-Y264 HydrophobicContact CD-CE2 4.46Å; K218-Y264 VanDerWaalsContact CE-OH 3.31Å; K218-Y264 WeakPolarHBondContact CE-OH 3.32Å; K218-Y264 HydrophobicContact CG-CE2 4.46Å; K218-A265 WeakPolarHBondContact CA-O 3.32Å; K218-E266 WeakPolarHBondContact CE-OE2 3.48Å; K218-E266 HydrophobicContact CG-CG 4.48Å |
| 219 | V | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.6 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | V208 L209 A210 L262 Y264 A265 L267 L286 L300 | V208-V219 HydrophobicContact CG1-CG1 3.71Å; L209-V219 WeakPolarHBondContact O-CA 3.36Å; A210-V219 HydrophobicContact CB-CG2 4.24Å; V219-L262 HydrophobicContact CG1-CD2 4.29Å; V219-Y264 CarbonylContact O-C 3.46Å; V219-Y264 VanDerWaalsContact O-CA 3.27Å; V219-Y264 WeakPolarHBondContact O-CA 3.1Å; V219-A265 HydrophobicContact CB-CB 4.43Å; V219-A265 PolarHBondContact N-O 2.93Å; V219-A265 PolarHBondContact O-N 2.81Å; V219-L267 HydrophobicContact CG2-CD1 4.34Å; V219-L286 HydrophobicContact CG2-CD2 3.43Å; V219-L286 VanDerWaalsContact CG2-CD2 3.43Å; V219-L300 HydrophobicContact CG1-CD1 4.36Å; V219-L300 HydrophobicContact CG2-CD2 4.38Å |
| 220 | I | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.5 | 178.5 | 61.1 | 177.4 | 0 | 0 | 0 | 110.8 | F159 V208 L209 Y211 V222 V225 C263 Y264 | F159-I220 HydrophobicContact CD1-CD1 4.41Å; F159-I220 HydrophobicContact CE1-CD1 3.56Å; F159-I220 HydrophobicContact CZ-CD1 4.12Å; V208-I220 CarbonylContact C-O 3.56Å; V208-I220 WeakPolarHBondContact CA-O 3.09Å; L209-I220 HydrophobicContact CB-CG1 4.04Å; L209-I220 HydrophobicContact CD2-CD1 4.4Å; L209-I220 PolarHBondContact N-O 3.09Å; L209-I220 PolarHBondContact O-N 3.27Å; Y211-I220 HydrophobicContact CE1-CD1 4.31Å; Y211-I220 HydrophobicContact CE1-CG2 4.46Å; I220-V222 HydrophobicContact CD1-CG2 3.98Å; I220-V222 HydrophobicContact CG1-CG2 3.97Å; I220-V222 PolarHBondContact O-N 3Å; I220-V225 HydrophobicContact CB-CG2 4.32Å; I220-C263 WeakPolarHBondContact CA-O 3.49Å; I220-Y264 HydrophobicContact CG2-CD2 3.63Å; I220-Y264 HydrophobicContact CG2-CE2 4.24Å |
| 221 | N | 92.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 102.8 | 159.9 | -176.3 | -44.2 | 0 | 0 | 0 | 107.2 | V208 G223 L224 V225 L262 C263 | V208-N221 HydrophobicContact CG2-CB 4.36Å; N221-G223 PolarHBondContact O-N 3.05Å; N221-G223 PolarHBondContact OD1-N 3.05Å; N221-L224 HydrophobicContact CB-CB 4.16Å; N221-L224 HydrophobicContact CB-CD1 4.06Å; N221-L224 HydrophobicContact CB-CG 4.23Å; N221-L224 PolarHBondContact O-N 3Å; N221-L224 PolarHBondContact OD1-N 3.1Å; N221-V225 WeakPolarHBondContact O-CB 3.47Å; N221-V225 WeakPolarHBondContact O-CG2 3.29Å; N221-V225 PolarHBondContact O-N 3.41Å; N221-L262 WeakPolarHBondContact CB-O 3.49Å; N221-C263 PolarHBondContact N-O 3.06Å |
| 222 | V | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -35.1 | -170.5 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | V140 F158 F159 W177 L207 L209 I220 V226 | V140-V222 HydrophobicContact CG2-CG1 4.32Å; F158-V222 HydrophobicContact CD1-CG1 4Å; F158-V222 HydrophobicContact CE1-CG1 3.9Å; F159-V222 HydrophobicContact CB-CG1 3.81Å; F159-V222 HydrophobicContact CD1-CG1 3.96Å; F159-V222 HydrophobicContact CG-CG1 3.95Å; W177-V222 HydrophobicContact CH2-CG2 3.89Å; W177-V222 HydrophobicContact CZ3-CB 4.48Å; W177-V222 HydrophobicContact CZ3-CG2 3.82Å; L207-V222 PolarHBondContact O-N 3.46Å; L209-V222 HydrophobicContact CB-CG2 3.85Å; L209-V222 HydrophobicContact CD2-CG2 3.98Å; I220-V222 HydrophobicContact CD1-CG2 3.98Å; I220-V222 HydrophobicContact CG1-CG2 3.97Å; I220-V222 PolarHBondContact O-N 3Å; V222-V226 HydrophobicContact CG1-CG2 4.28Å; V222-V226 WeakPolarHBondContact O-CB 3.44Å; V222-V226 WeakPolarHBondContact O-CG2 3.28Å; V222-V226 PolarHBondContact O-N 2.94Å |
| 223 | G | 89.9 | Confident | 90.6 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -54.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | N221 V225 V226 E227 | N221-G223 PolarHBondContact O-N 3.05Å; N221-G223 PolarHBondContact OD1-N 3.05Å; G223-V225 VanDerWaalsContact C-N 3.31Å; G223-V225 PolarHBondContact O-N 3.2Å; G223-V226 PolarHBondContact O-N 2.91Å; G223-E227 PolarHBondContact O-N 2.91Å; G223-E227 VanDerWaalsContact O-N 3.08Å |
| 224 | L | 89.2 | Confident | 89.7 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 179.2 | -64 | 178.5 | 0 | 0 | 0 | 112.3 | N221 L228 C263 | N221-L224 HydrophobicContact CB-CB 4.16Å; N221-L224 HydrophobicContact CB-CD1 4.06Å; N221-L224 HydrophobicContact CB-CG 4.23Å; N221-L224 PolarHBondContact O-N 3Å; N221-L224 PolarHBondContact OD1-N 3.1Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.44Å; L224-C263 HydrophobicContact CB-CB 4.35Å |
| 225 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -41.6 | 178.8 | 165 | 0 | 0 | 0 | 0 | 111.8 | F159 I220 N221 G223 L228 L229 L250 C263 | F159-V225 HydrophobicContact CD2-CG1 4.5Å; F159-V225 HydrophobicContact CE2-CG1 3.61Å; F159-V225 HydrophobicContact CZ-CG1 3.81Å; I220-V225 HydrophobicContact CB-CG2 4.32Å; N221-V225 WeakPolarHBondContact O-CB 3.47Å; N221-V225 WeakPolarHBondContact O-CG2 3.29Å; N221-V225 PolarHBondContact O-N 3.41Å; G223-V225 VanDerWaalsContact C-N 3.31Å; G223-V225 PolarHBondContact O-N 3.2Å; V225-L228 PolarHBondContact O-N 3.23Å; V225-L229 HydrophobicContact CG1-CD1 3.72Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CB 3.31Å; V225-L229 WeakPolarHBondContact O-CD1 3.49Å; V225-L229 WeakPolarHBondContact O-CG 3.29Å; V225-L229 PolarHBondContact O-N 3Å; V225-L250 HydrophobicContact CG1-CD1 3.6Å; V225-L250 HydrophobicContact CG2-CD1 4.19Å; V225-C263 VanDerWaalsContact CG2-O 3.3Å; V225-C263 WeakPolarHBondContact CG2-O 3.49Å |
| 226 | V | 91 | Very high | 86.6 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 174.7 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | F158 F159 V222 G223 Q230 | F158-V226 HydrophobicContact CD1-CG2 4.48Å; F158-V226 HydrophobicContact CE1-CG2 4.2Å; F159-V226 HydrophobicContact CB-CG2 3.74Å; F159-V226 HydrophobicContact CD2-CG2 3.66Å; F159-V226 HydrophobicContact CG-CG2 4.01Å; V222-V226 HydrophobicContact CG1-CG2 4.28Å; V222-V226 WeakPolarHBondContact O-CB 3.44Å; V222-V226 WeakPolarHBondContact O-CG2 3.28Å; V222-V226 PolarHBondContact O-N 2.94Å; G223-V226 PolarHBondContact O-N 2.91Å; V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.49Å; V226-Q230 VanDerWaalsContact O-CG 3.23Å; V226-Q230 WeakPolarHBondContact O-CG 3.46Å; V226-Q230 PolarHBondContact O-N 2.61Å |
| 227 | E | 88.6 | Confident | 84.5 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 54% | 0.542 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 177 | -179.9 | 174.4 | -170.2 | 0 | 0 | 112 | G223 Q230 N231 | G223-E227 PolarHBondContact O-N 2.91Å; G223-E227 VanDerWaalsContact O-N 3.08Å; E227-Q230 PolarHBondContact O-N 2.75Å; E227-N231 WeakPolarHBondContact CG-ND2 3.36Å; E227-N231 WeakPolarHBondContact O-CB 3.39Å; E227-N231 VanDerWaalsContact O-CG 3.32Å; E227-N231 PolarHBondContact O-N 3.37Å; E227-N231 PolarHBondContact O-ND2 3.5Å; E227-N231 VanDerWaalsContact O-ND2 3.12Å |
| 228 | L | 89.7 | Confident | 82.3 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 179.3 | 179.2 | 61.4 | 0 | 0 | 0 | 112 | L224 V225 N231 H232 A253 I254 C257 | L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.44Å; V225-L228 PolarHBondContact O-N 3.23Å; L228-N231 PolarHBondContact O-N 3.47Å; L228-H232 VanDerWaalsContact O-CB 3.28Å; L228-H232 WeakPolarHBondContact O-CB 3.36Å; L228-H232 PolarHBondContact O-N 3.28Å; L228-A253 HydrophobicContact CD2-CB 4.42Å; L228-A253 HydrophobicContact CG-CB 4.14Å; L228-I254 HydrophobicContact CD2-CG1 4.13Å; L228-C257 HydrophobicContact CD1-CB 4.14Å; L228-C257 HydrophobicContact CD2-CB 4.12Å |
| 229 | L | 90.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -179.8 | -76.2 | 166.1 | 0 | 0 | 0 | 112.3 | F159 V225 H232 F233 W245 Q249 L250 A253 | F159-L229 HydrophobicContact CE2-CD1 3.94Å; V225-L229 HydrophobicContact CG1-CD1 3.72Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CB 3.31Å; V225-L229 WeakPolarHBondContact O-CD1 3.49Å; V225-L229 WeakPolarHBondContact O-CG 3.29Å; V225-L229 PolarHBondContact O-N 3Å; L229-H232 PolarHBondContact O-N 2.91Å; L229-F233 HydrophobicContact CD2-CD2 4.21Å; L229-F233 HydrophobicContact CD2-CE2 3.9Å; L229-F233 WeakPolarHBondContact O-CD2 3.34Å; L229-F233 PolarHBondContact O-N 3.27Å; L229-F233 VanDerWaalsContact O-N 3.09Å; L229-W245 HydrophobicContact CB-CD2 4.09Å; L229-W245 HydrophobicContact CB-CE3 4.4Å; L229-W245 HydrophobicContact CB-CH2 4.25Å; L229-W245 HydrophobicContact CB-CZ2 3.91Å; L229-W245 HydrophobicContact CB-CZ3 4.49Å; L229-W245 HydrophobicContact CD1-CB 4.17Å; L229-W245 HydrophobicContact CD1-CD2 4.03Å; L229-W245 HydrophobicContact CD1-CG 3.72Å; L229-W245 HydrophobicContact CD2-CD2 4.12Å; L229-W245 HydrophobicContact CD2-CE3 4.04Å; L229-W245 HydrophobicContact CD2-CG 4.41Å; L229-W245 HydrophobicContact CG-CD2 4.32Å; L229-W245 HydrophobicContact CG-CG 4.5Å; L229-Q249 HydrophobicContact CD2-CB 4.5Å; L229-L250 HydrophobicContact CD1-CD1 4.29Å; L229-A253 HydrophobicContact CD2-CB 4.1Å |
| 230 | Q | 87.7 | Confident | 78.2 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.8 | -73 | 178.4 | 6.8 | 0 | 0 | 111.4 | V226 E227 S234 V241 W245 | V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.49Å; V226-Q230 VanDerWaalsContact O-CG 3.23Å; V226-Q230 WeakPolarHBondContact O-CG 3.46Å; V226-Q230 PolarHBondContact O-N 2.61Å; E227-Q230 PolarHBondContact O-N 2.75Å; Q230-S234 WeakPolarHBondContact O-CA 3.47Å; Q230-S234 VanDerWaalsContact O-CB 3.26Å; Q230-S234 WeakPolarHBondContact O-CB 3Å; Q230-S234 PolarHBondContact O-N 3.07Å; Q230-V241 HydrophobicContact CG-CG1 3.82Å; Q230-W245 HydrophobicContact CG-CZ2 4.46Å |
| 231 | N | 86.5 | Confident | 76.9 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 176.8 | -76.2 | -36.4 | 0 | 0 | 0 | 111.9 | E227 L228 F233 S234 | E227-N231 WeakPolarHBondContact CG-ND2 3.36Å; E227-N231 WeakPolarHBondContact O-CB 3.39Å; E227-N231 VanDerWaalsContact O-CG 3.32Å; E227-N231 PolarHBondContact O-N 3.37Å; E227-N231 PolarHBondContact O-ND2 3.5Å; E227-N231 VanDerWaalsContact O-ND2 3.12Å; L228-N231 PolarHBondContact O-N 3.47Å; N231-F233 PolarHBondContact O-N 2.91Å; N231-S234 WeakPolarHBondContact O-CB 3.32Å; N231-S234 PolarHBondContact O-OG 3.28Å |
| 232 | H | 86.4 | Confident | 76.2 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | -176.3 | -163.5 | -109.9 | 0 | 0 | 0 | 112.8 | L228 L229 D252 A253 | L228-H232 VanDerWaalsContact O-CB 3.28Å; L228-H232 WeakPolarHBondContact O-CB 3.36Å; L228-H232 PolarHBondContact O-N 3.28Å; L229-H232 PolarHBondContact O-N 2.91Å; H232-D252 IonicContact CE1-OD2 3.94Å; H232-D252 PolarHBondContact CE1-OD2 3.06Å; H232-D252 IonicContact ND1-OD2 3.64Å; H232-A253 HydrophobicContact CB-CB 4.01Å |
| 233 | F | 85 | Confident | 75.8 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 18% | 0.18 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -98.1 | 1.3 | -175.9 | -63.2 | -71.5 | 0 | 0 | 0 | 114.7 | L229 N231 Q235 Y236 W245 Q249 D252 A253 | L229-F233 HydrophobicContact CD2-CD2 4.21Å; L229-F233 HydrophobicContact CD2-CE2 3.9Å; L229-F233 WeakPolarHBondContact O-CD2 3.34Å; L229-F233 PolarHBondContact O-N 3.27Å; L229-F233 VanDerWaalsContact O-N 3.09Å; N231-F233 PolarHBondContact O-N 2.91Å; F233-Q235 PolarHBondContact O-N 3.24Å; F233-Y236 PolarHBondContact O-N 2.85Å; F233-Y236 VanDerWaalsContact O-N 3.08Å; F233-W245 HydrophobicContact CB-CH2 3.93Å; F233-W245 HydrophobicContact CB-CZ3 3.79Å; F233-W245 HydrophobicContact CD2-CE3 4.11Å; F233-W245 HydrophobicContact CD2-CH2 4.09Å; F233-W245 AromaticContact CD2-CZ3 3.42Å; F233-W245 HydrophobicContact CD2-CZ3 3.42Å; F233-W245 VanDerWaalsContact CD2-CZ3 3.42Å; F233-W245 HydrophobicContact CE2-CZ3 4.28Å; F233-W245 HydrophobicContact CG-CH2 4.38Å; F233-W245 AromaticContact CG-CZ3 3.8Å; F233-W245 HydrophobicContact CG-CZ3 3.8Å; F233-Q249 HydrophobicContact CE2-CB 3.9Å; F233-Q249 HydrophobicContact CE2-CG 4.4Å; F233-Q249 HydrophobicContact CZ-CB 3.97Å; F233-Q249 HydrophobicContact CZ-CG 4.13Å; F233-D252 WeakPolarHBondContact CZ-OD2 3.31Å; F233-A253 HydrophobicContact CE2-CB 4.21Å |
| 234 | S | 73.6 | Confident | 75.8 | Confident | 64 Ų | 64 | 77.9 Ų | 77.9 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -45.7 | -38.7 | 179 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | Q230 N231 Y236 A237 | Q230-S234 WeakPolarHBondContact O-CA 3.47Å; Q230-S234 VanDerWaalsContact O-CB 3.26Å; Q230-S234 WeakPolarHBondContact O-CB 3Å; Q230-S234 PolarHBondContact O-N 3.07Å; N231-S234 WeakPolarHBondContact O-CB 3.32Å; N231-S234 PolarHBondContact O-OG 3.28Å; S234-Y236 PolarHBondContact O-N 2.8Å; S234-Y236 VanDerWaalsContact O-N 3.17Å; S234-A237 PolarHBondContact O-N 3.3Å; S234-A237 VanDerWaalsContact O-N 3.16Å |
| 235 | Q | 59.1 | Low | 76 | Confident | 179 Ų | 179 | 76.1 Ų | 76.1 | 84% | 0.836 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -66.1 | -17.6 | -175.4 | -60.2 | -173.4 | 20.5 | 0 | 0 | 114.3 | F233 | F233-Q235 PolarHBondContact O-N 3.24Š|
| 236 | Y | 52.6 | Low | 76 | Confident | 205 Ų | 205 | 78 Ų | 78 | 80% | 0.804 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -97.3 | -9.7 | 178.1 | -67.1 | -82.9 | 0 | 0 | 0 | 113.5 | F233 S234 Q238 | F233-Y236 PolarHBondContact O-N 2.85Å; F233-Y236 VanDerWaalsContact O-N 3.08Å; S234-Y236 PolarHBondContact O-N 2.8Å; S234-Y236 VanDerWaalsContact O-N 3.17Å; Y236-Q238 PolarHBondContact O-N 3.42Å; Y236-Q238 VanDerWaalsContact O-N 3.09Å |
| 237 | A | 49.2 | Very low | 75.9 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | trans | -88 | 69.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S234 S239 | S234-A237 PolarHBondContact O-N 3.3Å; S234-A237 VanDerWaalsContact O-N 3.16Å; A237-S239 PolarHBondContact O-N 3.47Å | ||
| 238 | Q | 49.3 | Very low | 75.9 | Confident | 200 Ų | 200 | 81.7 Ų | 81.7 | 94% | 0.935 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -76.8 | -2.1 | 168.1 | -70.3 | -166.5 | 0.1 | 0 | 0 | 113.9 | Y236 | Y236-Q238 PolarHBondContact O-N 3.42Å; Y236-Q238 VanDerWaalsContact O-N 3.09Å |
| 239 | S | 45.2 | Very low | 76 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 84% | 0.839 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -150.1 | 102.7 | 176.7 | -163.6 | 0 | 0 | 0 | 0 | 111.6 | A237 | A237-S239 PolarHBondContact O-N 3.47Š|
| 240 | G | 57.8 | Low | 76.1 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 60% | 0.598 | 45% | 0.452 | S | S | * | . | trans | 75.8 | 152.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 241 | V | 67.3 | Low | 76.1 | Confident | 102 Ų | 102 | 81.5 Ų | 81.5 | 62% | 0.618 | 44% | 0.444 | S | S | * | . | trans | -84.6 | 121.6 | 166.2 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | Q230 T243 | Q230-V241 HydrophobicContact CG-CG1 3.82Å; V241-T243 PolarHBondContact O-N 2.87Å | ||
| 242 | S | 78 | Confident | 76.2 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | trans | -69.5 | 133.1 | 175.8 | -163.9 | 0 | 0 | 0 | 0 | 110.5 | S244 W245 | S242-S244 PolarHBondContact OG-O 3.48Å; S242-W245 WeakPolarHBondContact O-CZ2 3.25Å; S242-W245 PolarHBondContact O-NE1 3.03Å | ||
| 243 | T | 84 | Confident | 76.3 | Confident | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | trans | -108.2 | -8.9 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | L157 F159 S160 V241 | L157-T243 WeakPolarHBondContact O-CG2 3.42Å; F159-T243 CarbonylContact C-O 3.59Å; S160-T243 PolarHBondContact N-O 2.86Å; V241-T243 PolarHBondContact O-N 2.87Å | ||
| 244 | S | 89.7 | Confident | 76.4 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.2 | 174.3 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | S160 N162 S242 | S160-S244 WeakPolarHBondContact CB-OG 3.49Å; S160-S244 WeakPolarHBondContact O-CA 3.49Å; S160-S244 PolarHBondContact OG-OG 3.26Å; N162-S244 PolarHBondContact ND2-OG 2.86Å; S242-S244 PolarHBondContact OG-O 3.48Å |
| 245 | W | 93.8 | Very high | 76.8 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 6% | 0.064 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.4 | -169 | -55.9 | 94.9 | 0 | 0 | 0 | 110.1 | S160 L161 N162 L229 Q230 F233 S242 | S160-W245 PolarHBondContact O-N 2.98Å; L161-W245 WeakPolarHBondContact CA-O 3.19Å; N162-W245 PolarHBondContact N-O 3.36Å; N162-W245 PolarHBondContact ND2-O 3.01Å; L229-W245 HydrophobicContact CB-CD2 4.09Å; L229-W245 HydrophobicContact CB-CE3 4.4Å; L229-W245 HydrophobicContact CB-CH2 4.25Å; L229-W245 HydrophobicContact CB-CZ2 3.91Å; L229-W245 HydrophobicContact CB-CZ3 4.49Å; L229-W245 HydrophobicContact CD1-CB 4.17Å; L229-W245 HydrophobicContact CD1-CD2 4.03Å; L229-W245 HydrophobicContact CD1-CG 3.72Å; L229-W245 HydrophobicContact CD2-CD2 4.12Å; L229-W245 HydrophobicContact CD2-CE3 4.04Å; L229-W245 HydrophobicContact CD2-CG 4.41Å; L229-W245 HydrophobicContact CG-CD2 4.32Å; L229-W245 HydrophobicContact CG-CG 4.5Å; Q230-W245 HydrophobicContact CG-CZ2 4.46Å; F233-W245 HydrophobicContact CB-CH2 3.93Å; F233-W245 HydrophobicContact CB-CZ3 3.79Å; F233-W245 HydrophobicContact CD2-CE3 4.11Å; F233-W245 HydrophobicContact CD2-CH2 4.09Å; F233-W245 AromaticContact CD2-CZ3 3.42Å; F233-W245 HydrophobicContact CD2-CZ3 3.42Å; F233-W245 VanDerWaalsContact CD2-CZ3 3.42Å; F233-W245 HydrophobicContact CE2-CZ3 4.28Å; F233-W245 HydrophobicContact CG-CH2 4.38Å; F233-W245 AromaticContact CG-CZ3 3.8Å; F233-W245 HydrophobicContact CG-CZ3 3.8Å; S242-W245 WeakPolarHBondContact O-CZ2 3.25Å; S242-W245 PolarHBondContact O-NE1 3.03Å |
| 246 | S | 91.9 | Very high | 77.6 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 152.6 | 168.4 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | K248 Q249 L250 | S246-K248 PolarHBondContact O-N 3.46Å; S246-K248 VanDerWaalsContact O-N 3.16Å; S246-Q249 PolarHBondContact O-N 3.04Å; S246-Q249 WeakPolarHBondContact OG-CG 3.2Å; S246-Q249 PolarHBondContact OG-N 2.83Å; S246-Q249 PolarHBondContact OG-OE1 2.99Å; S246-L250 PolarHBondContact O-N 3.05Å; S246-L250 VanDerWaalsContact O-N 3.14Å |
| 247 | E | 88.9 | Confident | 78.7 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -51.3 | -35.7 | 170.2 | -177.2 | 166.3 | 143.2 | 0 | 0 | 112.8 | N162 K218 Q249 L250 I251 | N162-E247 PolarHBondContact O-N 3.03Å; K218-E247 IonicContact NZ-OE1 3.74Å; K218-E247 PolarHBondContact NZ-OE1 3.4Å; K218-E247 IonicContact NZ-OE2 3.45Å; K218-E247 PolarHBondContact NZ-OE2 2.93Å; E247-Q249 PolarHBondContact O-N 3.21Å; E247-L250 WeakPolarHBondContact O-CB 3.49Å; E247-L250 PolarHBondContact O-N 3.38Å; E247-I251 WeakPolarHBondContact O-CG1 3.47Å; E247-I251 PolarHBondContact O-N 2.87Å |
| 248 | K | 88.7 | Confident | 79.6 | Confident | 176 Ų | 176 | 68.1 Ų | 68.1 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 176.5 | -173 | 176.1 | 179.5 | 179.4 | 0 | 112.9 | S246 L250 D252 | S246-K248 PolarHBondContact O-N 3.46Å; S246-K248 VanDerWaalsContact O-N 3.16Å; K248-L250 VanDerWaalsContact C-N 3.31Å; K248-D252 VanDerWaalsContact O-CB 3.3Å; K248-D252 WeakPolarHBondContact O-CB 3.37Å; K248-D252 PolarHBondContact O-N 2.69Å |
| 249 | Q | 92 | Very high | 80.5 | Confident | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.1 | -31 | 175.9 | -71.3 | 163.6 | -76.6 | 0 | 0 | 112.3 | L229 F233 S246 E247 A253 | L229-Q249 HydrophobicContact CD2-CB 4.5Å; F233-Q249 HydrophobicContact CE2-CB 3.9Å; F233-Q249 HydrophobicContact CE2-CG 4.4Å; F233-Q249 HydrophobicContact CZ-CB 3.97Å; F233-Q249 HydrophobicContact CZ-CG 4.13Å; S246-Q249 PolarHBondContact O-N 3.04Å; S246-Q249 WeakPolarHBondContact OG-CG 3.2Å; S246-Q249 PolarHBondContact OG-N 2.83Å; S246-Q249 PolarHBondContact OG-OE1 2.99Å; E247-Q249 PolarHBondContact O-N 3.21Å; Q249-A253 WeakPolarHBondContact O-CB 3.35Å; Q249-A253 PolarHBondContact O-N 3.24Å; Q249-A253 VanDerWaalsContact O-N 3.09Å |
| 250 | L | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 173.9 | 178.4 | 54.6 | 0 | 0 | 0 | 111.1 | L161 V225 L229 S246 E247 K248 D252 A253 I254 Y264 | L161-L250 HydrophobicContact CD1-CB 4.1Å; L161-L250 HydrophobicContact CD1-CD2 3.82Å; L161-L250 HydrophobicContact CD2-CD2 3.65Å; L161-L250 HydrophobicContact CG-CD2 4.42Å; V225-L250 HydrophobicContact CG1-CD1 3.6Å; V225-L250 HydrophobicContact CG2-CD1 4.19Å; L229-L250 HydrophobicContact CD1-CD1 4.29Å; S246-L250 PolarHBondContact O-N 3.05Å; S246-L250 VanDerWaalsContact O-N 3.14Å; E247-L250 WeakPolarHBondContact O-CB 3.49Å; E247-L250 PolarHBondContact O-N 3.38Å; K248-L250 VanDerWaalsContact C-N 3.31Å; L250-D252 PolarHBondContact O-N 3.47Å; L250-A253 PolarHBondContact O-N 3.11Å; L250-I254 HydrophobicContact CD1-CD1 3.63Å; L250-I254 HydrophobicContact CD1-CG1 4.14Å; L250-I254 HydrophobicContact CG-CD1 3.68Å; L250-I254 VanDerWaalsContact O-CD1 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.42Å; L250-I254 WeakPolarHBondContact O-CG1 3.28Å; L250-I254 PolarHBondContact O-N 3.38Å; L250-Y264 HydrophobicContact CD2-CD2 3.85Å; L250-Y264 HydrophobicContact CD2-CE2 4.03Å; L250-Y264 HydrophobicContact CG-CD2 4.32Å |
| 251 | I | 88.5 | Confident | 82.3 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.6 | -61.2 | -60.5 | 0 | 0 | 0 | 111.5 | E247 A253 I254 E255 Y264 | E247-I251 WeakPolarHBondContact O-CG1 3.47Å; E247-I251 PolarHBondContact O-N 2.87Å; I251-A253 PolarHBondContact O-N 3.05Å; I251-I254 HydrophobicContact CD1-CD1 4.37Å; I251-I254 PolarHBondContact O-N 3.15Å; I251-I254 VanDerWaalsContact O-N 3.08Å; I251-E255 HydrophobicContact CG2-CG 4.35Å; I251-E255 PolarHBondContact O-N 2.93Å; I251-Y264 HydrophobicContact CD1-CD1 4.35Å; I251-Y264 HydrophobicContact CD1-CE1 3.73Å |
| 252 | D | 88 | Confident | 82.6 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.4 | -47.4 | 175.3 | -176.9 | 71.8 | 0 | 0 | 0 | 112.2 | H232 F233 K248 L250 I254 E255 G256 | H232-D252 IonicContact CE1-OD2 3.94Å; H232-D252 PolarHBondContact CE1-OD2 3.06Å; H232-D252 IonicContact ND1-OD2 3.64Å; F233-D252 WeakPolarHBondContact CZ-OD2 3.31Å; K248-D252 VanDerWaalsContact O-CB 3.3Å; K248-D252 WeakPolarHBondContact O-CB 3.37Å; K248-D252 PolarHBondContact O-N 2.69Å; L250-D252 PolarHBondContact O-N 3.47Å; D252-I254 PolarHBondContact O-N 2.88Å; D252-E255 PolarHBondContact O-N 2.68Å; D252-G256 PolarHBondContact O-N 2.79Å |
| 253 | A | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -27.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L228 L229 H232 F233 Q249 L250 I251 C257 | L228-A253 HydrophobicContact CD2-CB 4.42Å; L228-A253 HydrophobicContact CG-CB 4.14Å; L229-A253 HydrophobicContact CD2-CB 4.1Å; H232-A253 HydrophobicContact CB-CB 4.01Å; F233-A253 HydrophobicContact CE2-CB 4.21Å; Q249-A253 WeakPolarHBondContact O-CB 3.35Å; Q249-A253 PolarHBondContact O-N 3.24Å; Q249-A253 VanDerWaalsContact O-N 3.09Å; L250-A253 PolarHBondContact O-N 3.11Å; I251-A253 PolarHBondContact O-N 3.05Å; A253-C257 WeakPolarHBondContact O-CB 3.1Å; A253-C257 PolarHBondContact O-N 3.13Å |
| 254 | I | 86 | Confident | 83.2 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.4 | -37.8 | 175.1 | -68.4 | 156.7 | 0 | 0 | 0 | 111.5 | L228 L250 I251 D252 G256 C257 Y264 Y310 | L228-I254 HydrophobicContact CD2-CG1 4.13Å; L250-I254 HydrophobicContact CD1-CD1 3.63Å; L250-I254 HydrophobicContact CD1-CG1 4.14Å; L250-I254 HydrophobicContact CG-CD1 3.68Å; L250-I254 VanDerWaalsContact O-CD1 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.42Å; L250-I254 WeakPolarHBondContact O-CG1 3.28Å; L250-I254 PolarHBondContact O-N 3.38Å; I251-I254 HydrophobicContact CD1-CD1 4.37Å; I251-I254 PolarHBondContact O-N 3.15Å; I251-I254 VanDerWaalsContact O-N 3.08Å; D252-I254 PolarHBondContact O-N 2.88Å; I254-G256 VanDerWaalsContact C-N 3.27Å; I254-G256 PolarHBondContact O-N 2.96Å; I254-C257 WeakPolarHBondContact O-CB 3.39Å; I254-C257 PolarHBondContact O-N 3.27Å; I254-Y264 HydrophobicContact CD1-CD1 3.73Å; I254-Y264 HydrophobicContact CD1-CD2 3.98Å; I254-Y264 HydrophobicContact CD1-CG 3.42Å; I254-Y264 VanDerWaalsContact CD1-CG 3.42Å; I254-Y310 HydrophobicContact CG2-CD1 4.43Å |
| 255 | E | 82.4 | Confident | 83.1 | Confident | 137 Ų | 137 | 50.2 Ų | 50.2 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 177 | -73.3 | -178.6 | -172.6 | 0 | 0 | 111.6 | I251 D252 C257 | I251-E255 HydrophobicContact CG2-CG 4.35Å; I251-E255 PolarHBondContact O-N 2.93Å; D252-E255 PolarHBondContact O-N 2.68Å; E255-C257 VanDerWaalsContact C-N 3.27Å; E255-C257 PolarHBondContact O-N 3.24Å |
| 256 | G | 76.7 | Confident | 83 | Confident | 55 Ų | 55 | 50 Ų | 50 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D252 I254 | D252-G256 PolarHBondContact O-N 2.79Å; I254-G256 VanDerWaalsContact C-N 3.27Å; I254-G256 PolarHBondContact O-N 2.96Å |
| 257 | C | 74.8 | Confident | 83 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | trans | -91.6 | 140.5 | -169.9 | -160.4 | 0 | 0 | 0 | 0 | 113.9 | L228 A253 I254 E255 T259 | L228-C257 HydrophobicContact CD1-CB 4.14Å; L228-C257 HydrophobicContact CD2-CB 4.12Å; A253-C257 WeakPolarHBondContact O-CB 3.1Å; A253-C257 PolarHBondContact O-N 3.13Å; I254-C257 WeakPolarHBondContact O-CB 3.39Å; I254-C257 PolarHBondContact O-N 3.27Å; E255-C257 VanDerWaalsContact C-N 3.27Å; E255-C257 PolarHBondContact O-N 3.24Å; C257-T259 PolarHBondContact SG-OG1 3.49Å | ||
| 258 | T | 68.9 | Low | 82.8 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 81% | 0.81 | 27% | 0.272 | S | S | * | . | trans | -116.7 | 14.5 | 178.3 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 259 | T | 68.1 | Low | 82.9 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | trans | -71.3 | 134 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | C257 | C257-T259 PolarHBondContact SG-OG1 3.49Š| ||
| 260 | E | 67.7 | Low | 82.9 | Confident | 126 Ų | 126 | 41.1 Ų | 41.1 | 59% | 0.589 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -81.2 | -11.8 | 178.7 | -68.3 | 179.5 | -179.3 | 0 | 0 | 114.5 | F199 V200 R303 | F199-E260 VanDerWaalsContact CD1-O 3.31Å; F199-E260 WeakPolarHBondContact CD1-O 3.49Å; V200-E260 HydrophobicContact CG2-CB 4.24Å; V200-E260 PolarHBondContact N-O 2.92Å; V200-E260 VanDerWaalsContact N-O 3.15Å; E260-R303 PolarHBondContact O-NH2 2.97Å |
| 261 | S | 72 | Confident | 82.9 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -90.1 | 154.1 | 173.6 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | V200 C263 | V200-S261 WeakPolarHBondContact O-CA 3.27Å; V200-S261 WeakPolarHBondContact O-CB 3.41Å; V200-S261 PolarHBondContact O-OG 3.34Å; S261-C263 PolarHBondContact O-N 3.22Å |
| 262 | L | 75.1 | Confident | 83 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | trans | -65.2 | 101.7 | 177.3 | 179.1 | 62.4 | 0 | 0 | 0 | 111.1 | F199 V219 N221 A265 L300 | F199-L262 HydrophobicContact CD1-CB 4.35Å; V219-L262 HydrophobicContact CG1-CD2 4.29Å; N221-L262 WeakPolarHBondContact CB-O 3.49Å; L262-A265 HydrophobicContact CD1-CB 3.86Å; L262-L300 HydrophobicContact CD2-CB 3.92Å; L262-L300 HydrophobicContact CD2-CD1 4.31Å; L262-L300 HydrophobicContact CD2-CD2 4.19Å; L262-L300 HydrophobicContact CD2-CG 4.36Å | ||
| 263 | C | 84.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.081 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -90.6 | -43.2 | 171.2 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | I220 N221 L224 V225 S261 | I220-C263 WeakPolarHBondContact CA-O 3.49Å; N221-C263 PolarHBondContact N-O 3.06Å; L224-C263 HydrophobicContact CB-CB 4.35Å; V225-C263 VanDerWaalsContact CG2-O 3.3Å; V225-C263 WeakPolarHBondContact CG2-O 3.49Å; S261-C263 PolarHBondContact O-N 3.22Å |
| 264 | Y | 88.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 143 | -179.8 | 175.7 | -89.3 | 0 | 0 | 0 | 111 | K218 V219 I220 L250 I251 I254 E266 Y310 | K218-Y264 HydrophobicContact CD-CE2 4.46Å; K218-Y264 VanDerWaalsContact CE-OH 3.31Å; K218-Y264 WeakPolarHBondContact CE-OH 3.32Å; K218-Y264 HydrophobicContact CG-CE2 4.46Å; V219-Y264 CarbonylContact O-C 3.46Å; V219-Y264 VanDerWaalsContact O-CA 3.27Å; V219-Y264 WeakPolarHBondContact O-CA 3.1Å; I220-Y264 HydrophobicContact CG2-CD2 3.63Å; I220-Y264 HydrophobicContact CG2-CE2 4.24Å; L250-Y264 HydrophobicContact CD2-CD2 3.85Å; L250-Y264 HydrophobicContact CD2-CE2 4.03Å; L250-Y264 HydrophobicContact CG-CD2 4.32Å; I251-Y264 HydrophobicContact CD1-CD1 4.35Å; I251-Y264 HydrophobicContact CD1-CE1 3.73Å; I254-Y264 HydrophobicContact CD1-CD1 3.73Å; I254-Y264 HydrophobicContact CD1-CD2 3.98Å; I254-Y264 HydrophobicContact CD1-CG 3.42Å; I254-Y264 VanDerWaalsContact CD1-CG 3.42Å; Y264-E266 HydrophobicContact CE1-CB 4.09Å; Y264-Y310 HydrophobicContact CD1-CD2 4.23Å; Y264-Y310 HydrophobicContact CD1-CG 4.15Å; Y264-Y310 AromaticContact CE1-CD2 3.84Å; Y264-Y310 HydrophobicContact CE1-CD2 3.84Å; Y264-Y310 HydrophobicContact CE1-CE2 4.45Å; Y264-Y310 HydrophobicContact CE1-CG 4.22Å |
| 265 | A | 89 | Confident | 83.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K218 V219 L262 Y310 L312 | K218-A265 WeakPolarHBondContact CA-O 3.32Å; V219-A265 HydrophobicContact CB-CB 4.43Å; V219-A265 PolarHBondContact N-O 2.93Å; V219-A265 PolarHBondContact O-N 2.81Å; L262-A265 HydrophobicContact CD1-CB 3.86Å; A265-Y310 CarbonylContact C-O 3.48Å; A265-Y310 WeakPolarHBondContact CA-O 2.99Å; A265-Y310 WeakPolarHBondContact CB-O 3.41Å; A265-L312 HydrophobicContact CB-CD1 3.97Å; A265-L312 HydrophobicContact CB-CG 4.07Å |
| 266 | E | 90.3 | Very high | 84.3 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.6 | 172.3 | -177.6 | -179.5 | 106.3 | 0 | 0 | 110.9 | K216 K218 Y264 Y310 K311 | K216-E266 HydrophobicContact CD-CG 4.05Å; K216-E266 IonicContact NZ-OE1 2.77Å; K216-E266 PolarHBondContact NZ-OE1 3.31Å; K216-E266 IonicContact NZ-OE2 3.22Å; K216-E266 PolarHBondContact NZ-OE2 3.45Å; K216-E266 VanDerWaalsContact NZ-OE2 3.13Å; K218-E266 WeakPolarHBondContact CE-OE2 3.48Å; K218-E266 HydrophobicContact CG-CG 4.48Å; Y264-E266 HydrophobicContact CE1-CB 4.09Å; E266-Y310 HydrophobicContact CB-CD2 4.28Å; E266-Y310 PolarHBondContact N-O 3.4Å; E266-K311 WeakPolarHBondContact O-CA 3.33Å |
| 267 | L | 91.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139 | -176.4 | -43 | 175.2 | 0 | 0 | 0 | 108.8 | K216 V217 V219 L286 Y298 L312 | K216-L267 CarbonylContact C-O 3.57Å; K216-L267 WeakPolarHBondContact CA-O 3.3Å; K216-L267 WeakPolarHBondContact CB-O 3.43Å; V217-L267 HydrophobicContact CB-CB 4.15Å; V217-L267 HydrophobicContact CB-CD1 4.17Å; V217-L267 HydrophobicContact CB-CG 4.45Å; V217-L267 HydrophobicContact CG1-CD1 4.4Å; V217-L267 PolarHBondContact N-O 3.45Å; V217-L267 PolarHBondContact O-N 3.29Å; V219-L267 HydrophobicContact CG2-CD1 4.34Å; L267-L286 HydrophobicContact CD1-CD2 3.57Å; L267-Y298 HydrophobicContact CB-CD1 4.36Å; L267-Y298 HydrophobicContact CB-CE1 3.77Å; L267-Y298 HydrophobicContact CD1-CD1 3.89Å; L267-Y298 HydrophobicContact CD1-CD2 3.78Å; L267-Y298 HydrophobicContact CD1-CE1 4.01Å; L267-Y298 HydrophobicContact CD1-CE2 3.91Å; L267-Y298 HydrophobicContact CD1-CG 3.77Å; L267-Y298 HydrophobicContact CD2-CD1 3.83Å; L267-Y298 HydrophobicContact CD2-CE1 4.06Å; L267-Y298 HydrophobicContact CD2-CG 4.39Å; L267-Y298 HydrophobicContact CG-CD1 4.25Å; L267-Y298 HydrophobicContact CG-CE1 4.16Å; L267-L312 HydrophobicContact CD2-CB 3.57Å; L267-L312 HydrophobicContact CD2-CD1 4.16Å; L267-L312 HydrophobicContact CD2-CG 3.94Å |
| 268 | S | 86.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 31.9 Ų | 31.9 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | trans | -150.4 | 31.9 | -166.5 | 66.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 269 | D | 90 | Very high | 87.5 | Confident | 64 Ų | 64 | 25.8 Ų | 25.8 | 34% | 0.342 | 15% | 0.149 | S | C | . | . | trans | -91.6 | -5.3 | -171.3 | -58.7 | -104.7 | 0 | 0 | 0 | 113.9 | P314 | D269-P314 HydrophobicContact CB-CG 4.17Å; D269-P314 VanDerWaalsContact CG-CD 3.44Å; D269-P314 WeakPolarHBondContact OD1-CD 3.44Å | ||
| 270 | H | 92.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | trans | -87.5 | 148.1 | 171.9 | -71.7 | -77.9 | 0 | 0 | 0 | 112.2 | I274 S288 S290 D292 K294 | H270-I274 HydrophobicContact CB-CD1 3.85Å; H270-I274 WeakPolarHBondContact CD2-CD1 3.15Å; H270-S288 PolarHBondContact CD2-OG 3.39Å; H270-S288 VanDerWaalsContact CD2-OG 3.29Å; H270-S288 PolarHBondContact NE2-O 2.8Å; H270-S288 PolarHBondContact NE2-OG 3.12Å; H270-S290 WeakPolarHBondContact ND1-CB 3.44Å; H270-D292 WeakPolarHBondContact CA-OD2 3.29Å; H270-D292 IonicContact CE1-OD1 3.57Å; H270-D292 IonicContact CG-OD2 3.67Å; H270-D292 IonicContact ND1-OD1 3.42Å; H270-D292 PolarHBondContact ND1-OD1 3.17Å; H270-D292 IonicContact ND1-OD2 2.72Å; H270-D292 PolarHBondContact ND1-OD2 3.27Å; H270-K294 PolarHBondContact CE1-O 3.41Å | ||
| 271 | S | 90.9 | Very high | 89.5 | Confident | 35 Ų | 35 | 17 Ų | 17 | 25% | 0.245 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -101 | 1.2 | 179.5 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | D292 K294 T1058 | S271-D292 PolarHBondContact N-OD2 2.72Å; S271-D292 PolarHBondContact OG-OD2 2.98Å; S271-K294 PolarHBondContact OG-NZ 3.13Å; S271-K294 VanDerWaalsContact OG-NZ 3.12Å; S271-T1058 WeakPolarHBondContact CB-OG1 3.38Å |
| 272 | D | 91.1 | Very high | 90 | Very high | 58 Ų | 58 | 16.7 Ų | 16.7 | 31% | 0.31 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -151.8 | 174.7 | 177.9 | -157 | -8 | 0 | 0 | 0 | 110.7 | S290 L291 D292 | D272-S290 VanDerWaalsContact C-OG 3.23Å; D272-S290 PolarHBondContact O-OG 3.27Å; D272-L291 HydrophobicContact CB-CB 4.2Å; D272-L291 WeakPolarHBondContact OD2-CB 3.42Å; D272-D292 HydrophobicContact CB-CB 3.83Å |
| 273 | A | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | trans | -53.9 | 136.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L170 V172 S290 L291 | L170-A273 HydrophobicContact CD1-CB 3.55Å; V172-A273 HydrophobicContact CG2-CB 3.74Å; A273-S290 VanDerWaalsContact O-CA 3.22Å; A273-S290 WeakPolarHBondContact O-CA 3.33Å; A273-S290 WeakPolarHBondContact O-CB 3.42Å; A273-S290 PolarHBondContact O-OG 3.35Å; A273-L291 HydrophobicContact CB-CD1 4.11Å; A273-L291 HydrophobicContact CB-CG 4.48Å; A273-L291 PolarHBondContact O-N 3.16Å | ||
| 274 | I | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124.9 | 174.2 | -54.1 | -59.1 | 0 | 0 | 0 | 109.9 | H214 V217 H270 L277 A289 | H214-I274 PolarHBondContact O-N 3.27Å; V217-I274 HydrophobicContact CG2-CD1 3.98Å; V217-I274 HydrophobicContact CG2-CG1 3.9Å; V217-I274 HydrophobicContact CG2-CG2 4.3Å; H270-I274 HydrophobicContact CB-CD1 3.85Å; H270-I274 WeakPolarHBondContact CD2-CD1 3.15Å; I274-L277 HydrophobicContact CG2-CD2 3.77Å; I274-L277 HydrophobicContact CG2-CG 4.01Å; I274-A289 WeakPolarHBondContact CA-O 3.28Å |
| 275 | T | 92.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 16.4 Ų | 16.4 | 12% | 0.117 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -31.4 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | A289 L291 L326 | T275-A289 PolarHBondContact N-O 3.13Å; T275-A289 PolarHBondContact OG1-O 3.04Å; T275-L291 HydrophobicContact CG2-CD2 3.61Å; T275-L291 HydrophobicContact CG2-CG 3.74Å; T275-L326 VanDerWaalsContact CB-O 3.29Å; T275-L326 WeakPolarHBondContact CB-O 3.47Å; T275-L326 WeakPolarHBondContact CG2-O 3.38Å; T275-L326 PolarHBondContact OG1-O 2.94Å |
| 276 | A | 94.2 | Very high | 91 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 146.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A289 L329 | A276-A289 HydrophobicContact CB-CB 4.36Å; A276-A289 PolarHBondContact N-O 2.81Å; A276-A289 PolarHBondContact O-N 3.5Å; A276-L329 HydrophobicContact CB-CB 3.81Å |
| 277 | L | 96.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 15.8 Ų | 15.8 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.8 | 175 | -66.4 | 175.9 | 0 | 0 | 0 | 109.4 | S174 V176 A210 V217 I274 G287 | S174-L277 PolarHBondContact OG-N 2.7Å; V176-L277 HydrophobicContact CG1-CB 3.58Å; A210-L277 HydrophobicContact CB-CD1 4.34Å; V217-L277 HydrophobicContact CB-CD2 4.31Å; V217-L277 HydrophobicContact CG1-CD1 3.89Å; V217-L277 HydrophobicContact CG1-CD2 3.59Å; V217-L277 HydrophobicContact CG1-CG 4.42Å; V217-L277 HydrophobicContact CG2-CD2 3.69Å; I274-L277 HydrophobicContact CG2-CD2 3.77Å; I274-L277 HydrophobicContact CG2-CG 4.01Å; L277-G287 WeakPolarHBondContact CA-O 3.38Å |
| 278 | S | 96.1 | Very high | 91.6 | Very high | 12 Ų | 12 | 15.8 Ų | 15.8 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 117.3 | 171.8 | -169 | 0 | 0 | 0 | 0 | 110.3 | L286 G287 F331 | S278-L286 WeakPolarHBondContact O-CD1 3.24Å; S278-G287 PolarHBondContact N-O 3.13Å; S278-G287 PolarHBondContact O-N 3.27Å; S278-F331 VanDerWaalsContact O-CE2 3.27Å; S278-F331 WeakPolarHBondContact O-CE2 3.45Å; S278-F331 PolarHBondContact OG-N 3.42Å |
| 279 | L | 94.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 140.7 | 168 | -77.4 | 165 | 0 | 0 | 0 | 109.3 | V176 C178 V208 A210 L286 L300 | V176-L279 HydrophobicContact CG1-CD1 4.32Å; V176-L279 HydrophobicContact CG1-CG 4.33Å; C178-L279 HydrophobicContact CB-CD1 4.17Å; V208-L279 HydrophobicContact CG1-CD1 4.17Å; V208-L279 HydrophobicContact CG1-CD2 4.47Å; A210-L279 HydrophobicContact CB-CD1 3.92Å; A210-L279 HydrophobicContact CB-CD2 4.44Å; A210-L279 HydrophobicContact CB-CG 4.14Å; L279-L286 HydrophobicContact CD2-CB 4.09Å; L279-L286 HydrophobicContact CD2-CD1 3.86Å; L279-L286 HydrophobicContact CD2-CG 4.4Å; L279-L286 HydrophobicContact CG-CD1 4.03Å; L279-L300 HydrophobicContact CD2-CD1 3.63Å |
| 280 | S | 91.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -65.3 | 151.6 | 165 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | D282 A283 T284 C285 | S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.76Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 3.48Å; S280-A283 PolarHBondContact O-N 3.37Å; S280-A283 PolarHBondContact OG-N 3.36Å; S280-T284 PolarHBondContact OG-N 3.24Å; S280-T284 VanDerWaalsContact OG-N 3.13Å; S280-C285 WeakPolarHBondContact CB-O 3.39Å; S280-C285 PolarHBondContact N-O 3.2Å; S280-C285 PolarHBondContact OG-N 2.87Å; S280-C285 PolarHBondContact OG-O 3.26Å | ||
| 281 | R | 86.9 | Confident | 92.3 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 5% | 0.049 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.2 | -179.9 | 173.4 | -169.1 | 66 | 160.8 | 0.3 | 113.8 | C178 P179 W180 D333 N334 H337 D339 T343 | C178-R281 PolarHBondContact SG-O 2.66Å; P179-R281 HydrophobicContact CG-CB 4.4Å; W180-R281 WeakPolarHBondContact CB-O 3.49Å; W180-R281 HydrophobicContact CE3-CG 4.35Å; W180-R281 VanDerWaalsContact CE3-O 3.31Å; R281-D333 HydrophobicContact CB-CB 3.98Å; R281-D333 WeakPolarHBondContact CB-OD2 3.25Å; R281-D333 PolarHBondContact N-OD2 3.22Å; R281-N334 PolarHBondContact NH1-O 3.03Å; R281-N334 VanDerWaalsContact NH1-O 3.09Å; R281-H337 PolarHBondContact NH1-O 3.23Å; R281-D339 PolarHBondContact NH2-O 2.92Å; R281-T343 HydrophobicContact CB-CG2 3.84Å; R281-T343 PolarHBondContact NH2-OG1 3.07Å |
| 282 | D | 82.1 | Confident | 92.4 | Very high | 21 Ų | 21 | 10 Ų | 10 | 11% | 0.112 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 3.2 | 178.7 | 55.5 | 20.2 | 0 | 0 | 0 | 114.1 | S280 T284 T343 | S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.76Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 3.48Å; D282-T284 HydrophobicContact CB-CG2 4.09Å; D282-T284 VanDerWaalsContact CG-CG2 3.47Å; D282-T284 VanDerWaalsContact CG-OG1 3.27Å; D282-T284 PolarHBondContact O-N 3.31Å; D282-T284 VanDerWaalsContact O-N 3.12Å; D282-T284 WeakPolarHBondContact OD1-CB 3.5Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.23Å; D282-T284 PolarHBondContact OD1-N 3.13Å; D282-T284 PolarHBondContact OD1-OG1 3.09Å; D282-T284 PolarHBondContact OD2-OG1 3.21Å; D282-T343 HydrophobicContact CB-CG2 4.22Å; D282-T343 VanDerWaalsContact CG-CG2 3.44Å; D282-T343 WeakPolarHBondContact OD2-CB 3.29Å; D282-T343 VanDerWaalsContact OD2-CG2 3.23Å; D282-T343 WeakPolarHBondContact OD2-CG2 3.25Å; D282-T343 PolarHBondContact OD2-OG1 3.47Å; D282-T343 VanDerWaalsContact OD2-OG1 3.11Å |
| 283 | A | 86.7 | Confident | 92.6 | Very high | 10 Ų | 10 | 7.3 Ų | 7.3 | 8% | 0.083 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 49.5 | 26.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115 | C178 P205 V208 S280 L300 | C178-A283 HydrophobicContact CB-CB 4.38Å; P205-A283 HydrophobicContact CB-CB 3.61Å; P205-A283 HydrophobicContact CG-CB 4.48Å; V208-A283 HydrophobicContact CB-CB 4.45Å; V208-A283 HydrophobicContact CG1-CB 4.42Å; V208-A283 HydrophobicContact CG2-CB 4.41Å; S280-A283 PolarHBondContact O-N 3.37Å; S280-A283 PolarHBondContact OG-N 3.36Å; A283-L300 VanDerWaalsContact O-CB 3.28Å; A283-L300 WeakPolarHBondContact O-CB 3.36Å; A283-L300 WeakPolarHBondContact O-CD1 3.41Å |
| 284 | T | 85.8 | Confident | 92.8 | Very high | 10 Ų | 10 | 9.3 Ų | 9.3 | 6% | 0.061 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -78.7 | -24.5 | 171.3 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | L188 S280 D282 L300 V301 W344 | L188-T284 HydrophobicContact CD1-CG2 3.45Å; L188-T284 VanDerWaalsContact CD1-CG2 3.45Å; L188-T284 HydrophobicContact CD2-CG2 4.36Å; L188-T284 HydrophobicContact CG-CG2 3.76Å; S280-T284 PolarHBondContact OG-N 3.24Å; S280-T284 VanDerWaalsContact OG-N 3.13Å; D282-T284 HydrophobicContact CB-CG2 4.09Å; D282-T284 VanDerWaalsContact CG-CG2 3.47Å; D282-T284 VanDerWaalsContact CG-OG1 3.27Å; D282-T284 PolarHBondContact O-N 3.31Å; D282-T284 VanDerWaalsContact O-N 3.12Å; D282-T284 WeakPolarHBondContact OD1-CB 3.5Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.23Å; D282-T284 PolarHBondContact OD1-N 3.13Å; D282-T284 PolarHBondContact OD1-OG1 3.09Å; D282-T284 PolarHBondContact OD2-OG1 3.21Å; T284-L300 PolarHBondContact O-N 2.85Å; T284-V301 HydrophobicContact CG2-CG1 4.18Å; T284-W344 PolarHBondContact OG1-NE1 3.37Å |
| 285 | C | 91.1 | Very high | 93 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.007 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.7 | -172.7 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | S280 I297 Y298 W344 | S280-C285 WeakPolarHBondContact CB-O 3.39Å; S280-C285 PolarHBondContact N-O 3.2Å; S280-C285 PolarHBondContact OG-N 2.87Å; S280-C285 PolarHBondContact OG-O 3.26Å; C285-I297 WeakPolarHBondContact SG-CG2 3.11Å; C285-Y298 WeakPolarHBondContact CA-O 3.33Å; C285-W344 HydrophobicContact CB-CB 4.33Å; C285-W344 HydrophobicContact CB-CD2 3.76Å; C285-W344 HydrophobicContact CB-CE3 4.38Å; C285-W344 HydrophobicContact CB-CG 3.73Å |
| 286 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.8 | 174.9 | 170.5 | 62.3 | 0 | 0 | 0 | 109.4 | A210 V217 V219 L267 S278 L279 I297 Y298 L300 | A210-L286 HydrophobicContact CB-CD1 4.18Å; A210-L286 HydrophobicContact CB-CD2 4.44Å; V217-L286 HydrophobicContact CG1-CD2 4.16Å; V219-L286 HydrophobicContact CG2-CD2 3.43Å; V219-L286 VanDerWaalsContact CG2-CD2 3.43Å; L267-L286 HydrophobicContact CD1-CD2 3.57Å; S278-L286 WeakPolarHBondContact O-CD1 3.24Å; L279-L286 HydrophobicContact CD2-CB 4.09Å; L279-L286 HydrophobicContact CD2-CD1 3.86Å; L279-L286 HydrophobicContact CD2-CG 4.4Å; L279-L286 HydrophobicContact CG-CD1 4.03Å; L286-I297 CarbonylContact O-C 3.48Å; L286-I297 WeakPolarHBondContact O-CA 3.14Å; L286-Y298 HydrophobicContact CG-CD2 4.49Å; L286-Y298 PolarHBondContact N-O 3.45Å; L286-Y298 WeakPolarHBondContact O-CD2 3.46Å; L286-Y298 PolarHBondContact O-N 2.94Å; L286-L300 HydrophobicContact CB-CD1 4.07Å; L286-L300 HydrophobicContact CB-CD2 4.17Å; L286-L300 HydrophobicContact CB-CG 4.12Å; L286-L300 HydrophobicContact CD2-CD2 4.37Å |
| 287 | G | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L277 S278 C296 L329 | L277-G287 WeakPolarHBondContact CA-O 3.38Å; S278-G287 PolarHBondContact N-O 3.13Å; S278-G287 PolarHBondContact O-N 3.27Å; G287-C296 CarbonylContact C-O 3.56Å; G287-C296 WeakPolarHBondContact CA-O 3.39Å; G287-L329 WeakPolarHBondContact O-CD2 3.41Å |
| 288 | S | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.9 | 164.9 | 65.4 | 0 | 0 | 0 | 0 | 112 | H270 V295 C296 Y298 L329 | H270-S288 PolarHBondContact CD2-OG 3.39Å; H270-S288 VanDerWaalsContact CD2-OG 3.29Å; H270-S288 PolarHBondContact NE2-O 2.8Å; H270-S288 PolarHBondContact NE2-OG 3.12Å; S288-V295 VanDerWaalsContact O-CA 3.29Å; S288-V295 WeakPolarHBondContact O-CA 3.43Å; S288-C296 PolarHBondContact N-O 3.03Å; S288-C296 PolarHBondContact O-N 2.85Å; S288-Y298 WeakPolarHBondContact OG-CE2 3.44Å; S288-L329 VanDerWaalsContact C-CD2 3.46Å |
| 289 | A | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I274 T275 A276 V295 L326 L329 | I274-A289 WeakPolarHBondContact CA-O 3.28Å; T275-A289 PolarHBondContact N-O 3.13Å; T275-A289 PolarHBondContact OG1-O 3.04Å; A276-A289 HydrophobicContact CB-CB 4.36Å; A276-A289 PolarHBondContact N-O 2.81Å; A276-A289 PolarHBondContact O-N 3.5Å; A289-V295 HydrophobicContact CB-CG2 4.26Å; A289-L326 HydrophobicContact CB-CB 3.97Å; A289-L326 HydrophobicContact CB-CD1 3.93Å; A289-L329 HydrophobicContact CB-CB 3.93Å; A289-L329 HydrophobicContact CB-CD1 4.42Å; A289-L329 HydrophobicContact CB-CD2 3.97Å; A289-L329 HydrophobicContact CB-CG 4.35Å |
| 290 | S | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 163.3 | -170.5 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | H270 D272 A273 D292 G293 K294 L326 | H270-S290 WeakPolarHBondContact ND1-CB 3.44Å; D272-S290 VanDerWaalsContact C-OG 3.23Å; D272-S290 PolarHBondContact O-OG 3.27Å; A273-S290 VanDerWaalsContact O-CA 3.22Å; A273-S290 WeakPolarHBondContact O-CA 3.33Å; A273-S290 WeakPolarHBondContact O-CB 3.42Å; A273-S290 PolarHBondContact O-OG 3.35Å; S290-D292 VanDerWaalsContact CB-OD1 3.32Å; S290-D292 WeakPolarHBondContact CB-OD1 3.44Å; S290-D292 PolarHBondContact O-N 3.19Å; S290-D292 PolarHBondContact OG-N 3.14Å; S290-D292 PolarHBondContact OG-OD1 2.85Å; S290-G293 PolarHBondContact O-N 3.15Å; S290-K294 PolarHBondContact N-O 2.63Å; S290-L326 PolarHBondContact O-N 3.13Å |
| 291 | L | 91.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 8.9 Ų | 8.9 | 20% | 0.199 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.3 | 164.3 | -64 | -179.3 | 0 | 0 | 0 | 112.3 | V172 D272 A273 T275 G293 P325 Y327 | V172-L291 HydrophobicContact CG2-CD1 4.39Å; D272-L291 HydrophobicContact CB-CB 4.2Å; D272-L291 WeakPolarHBondContact OD2-CB 3.42Å; A273-L291 HydrophobicContact CB-CD1 4.11Å; A273-L291 HydrophobicContact CB-CG 4.48Å; A273-L291 PolarHBondContact O-N 3.16Å; T275-L291 HydrophobicContact CG2-CD2 3.61Å; T275-L291 HydrophobicContact CG2-CG 3.74Å; L291-G293 PolarHBondContact O-N 3.12Å; L291-P325 HydrophobicContact CD2-CB 4.02Å; L291-Y327 HydrophobicContact CD2-CE1 4.09Å |
| 292 | D | 93.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 5.5 | 175.2 | 84.3 | -2.2 | 0 | 0 | 0 | 114.6 | H270 S271 D272 S290 K294 R1065 | H270-D292 WeakPolarHBondContact CA-OD2 3.29Å; H270-D292 IonicContact CE1-OD1 3.57Å; H270-D292 IonicContact CG-OD2 3.67Å; H270-D292 IonicContact ND1-OD1 3.42Å; H270-D292 PolarHBondContact ND1-OD1 3.17Å; H270-D292 IonicContact ND1-OD2 2.72Å; H270-D292 PolarHBondContact ND1-OD2 3.27Å; S271-D292 PolarHBondContact N-OD2 2.72Å; S271-D292 PolarHBondContact OG-OD2 2.98Å; D272-D292 HydrophobicContact CB-CB 3.83Å; S290-D292 VanDerWaalsContact CB-OD1 3.32Å; S290-D292 WeakPolarHBondContact CB-OD1 3.44Å; S290-D292 PolarHBondContact O-N 3.19Å; S290-D292 PolarHBondContact OG-N 3.14Å; S290-D292 PolarHBondContact OG-OD1 2.85Å; D292-K294 PolarHBondContact O-N 3.42Å; D292-K294 VanDerWaalsContact O-N 3.14Å; D292-K294 VanDerWaalsContact OD1-CB 3.25Å; D292-K294 WeakPolarHBondContact OD1-CB 3.24Å; D292-K294 WeakPolarHBondContact OD1-CG 3.3Å; D292-K294 PolarHBondContact OD1-N 2.87Å; D292-K294 IonicContact OD2-NZ 2.77Å; D292-K294 PolarHBondContact OD2-NZ 3.38Å; D292-R1065 VanDerWaalsContact O-CZ 3.22Å; D292-R1065 PolarHBondContact O-NH1 3.23Å; D292-R1065 PolarHBondContact O-NH2 2.89Å |
| 293 | G | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 69.5 | 8.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S290 L291 S319 L324 | S290-G293 PolarHBondContact O-N 3.15Å; L291-G293 PolarHBondContact O-N 3.12Å; G293-S319 WeakPolarHBondContact O-CA 3.37Å; G293-S319 WeakPolarHBondContact O-CB 3.2Å; G293-L324 WeakPolarHBondContact CA-O 3.4Å |
| 294 | K | 96.3 | Very high | 88.3 | Confident | 46 Ų | 46 | 15 Ų | 15 | 20% | 0.2 | 8% | 0.079 | C | C | . | . | trans | -97.5 | 153.6 | 173.3 | -51.7 | -175.9 | -155.8 | 106 | 0 | 111.4 | H270 S271 S290 D292 V317 F318 L326 | H270-K294 PolarHBondContact CE1-O 3.41Å; S271-K294 PolarHBondContact OG-NZ 3.13Å; S271-K294 VanDerWaalsContact OG-NZ 3.12Å; S290-K294 PolarHBondContact N-O 2.63Å; D292-K294 PolarHBondContact O-N 3.42Å; D292-K294 VanDerWaalsContact O-N 3.14Å; D292-K294 VanDerWaalsContact OD1-CB 3.25Å; D292-K294 WeakPolarHBondContact OD1-CB 3.24Å; D292-K294 WeakPolarHBondContact OD1-CG 3.3Å; D292-K294 PolarHBondContact OD1-N 2.87Å; D292-K294 IonicContact OD2-NZ 2.77Å; D292-K294 PolarHBondContact OD2-NZ 3.38Å; K294-V317 HydrophobicContact CB-CG1 4.43Å; K294-V317 HydrophobicContact CD-CG1 3.94Å; K294-F318 CarbonylContact C-O 3.48Å; K294-F318 VanDerWaalsContact CA-O 3.25Å; K294-F318 WeakPolarHBondContact CA-O 3.34Å; K294-L326 VanDerWaalsContact O-CD1 3.32Å; K294-L326 WeakPolarHBondContact O-CD1 3.37Å | ||
| 295 | V | 97.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.9 | 152.6 | 174.5 | 0 | 0 | 0 | 0 | 108 | S288 A289 I297 V317 F318 P320 L326 L329 L347 T349 | S288-V295 VanDerWaalsContact O-CA 3.29Å; S288-V295 WeakPolarHBondContact O-CA 3.43Å; A289-V295 HydrophobicContact CB-CG2 4.26Å; V295-I297 HydrophobicContact CG1-CD1 3.52Å; V295-I297 HydrophobicContact CG1-CG1 4.1Å; V295-V317 WeakPolarHBondContact O-CA 3.46Å; V295-F318 HydrophobicContact CB-CD1 3.99Å; V295-F318 HydrophobicContact CB-CE1 3.64Å; V295-F318 HydrophobicContact CB-CZ 4.29Å; V295-F318 HydrophobicContact CG1-CD1 4.38Å; V295-F318 HydrophobicContact CG1-CE1 3.72Å; V295-F318 HydrophobicContact CG1-CZ 4.47Å; V295-F318 HydrophobicContact CG2-CE1 4.45Å; V295-F318 PolarHBondContact N-O 3.46Å; V295-F318 PolarHBondContact O-N 2.94Å; V295-P320 HydrophobicContact CB-CG 4.48Å; V295-P320 HydrophobicContact CG2-CG 3.68Å; V295-L326 HydrophobicContact CG2-CD1 3.47Å; V295-L326 VanDerWaalsContact CG2-CD1 3.47Å; V295-L329 HydrophobicContact CB-CD1 4.48Å; V295-L329 HydrophobicContact CG1-CD1 3.83Å; V295-L329 HydrophobicContact CG1-CD2 4.29Å; V295-L329 HydrophobicContact CG2-CD1 3.74Å; V295-L347 HydrophobicContact CG1-CD2 4.37Å; V295-T349 HydrophobicContact CG2-CG2 4.14Å |
| 296 | C | 96.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134 | 168.7 | -65.5 | 0 | 0 | 0 | 0 | 108.9 | G287 S288 Y298 P314 V317 | G287-C296 CarbonylContact C-O 3.56Å; G287-C296 WeakPolarHBondContact CA-O 3.39Å; S288-C296 PolarHBondContact N-O 3.03Å; S288-C296 PolarHBondContact O-N 2.85Å; C296-Y298 HydrophobicContact CB-CE2 3.61Å; C296-Y298 WeakPolarHBondContact CB-OH 3.39Å; C296-P314 HydrophobicContact CB-CB 4.18Å; C296-V317 HydrophobicContact CB-CG2 4.34Å |
| 297 | I | 95.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.9 | -179.5 | -52.7 | -66.8 | 0 | 0 | 0 | 108 | C285 L286 V295 P314 I315 H316 F318 F331 L347 W365 | C285-I297 WeakPolarHBondContact SG-CG2 3.11Å; L286-I297 CarbonylContact O-C 3.48Å; L286-I297 WeakPolarHBondContact O-CA 3.14Å; V295-I297 HydrophobicContact CG1-CD1 3.52Å; V295-I297 HydrophobicContact CG1-CG1 4.1Å; I297-P314 CarbonylContact O-C 3.58Å; I297-P314 VanDerWaalsContact O-C 3.31Å; I297-P314 WeakPolarHBondContact O-CA 3.28Å; I297-P314 VanDerWaalsContact O-CB 3.29Å; I297-P314 WeakPolarHBondContact O-CB 3.47Å; I297-I315 HydrophobicContact CB-CG1 4.39Å; I297-I315 HydrophobicContact CG2-CD1 4.16Å; I297-I315 HydrophobicContact CG2-CG1 4.02Å; I297-I315 WeakPolarHBondContact O-CG1 3.44Å; I297-I315 PolarHBondContact O-N 3.28Å; I297-H316 HydrophobicContact CB-CB 4.18Å; I297-H316 HydrophobicContact CG1-CB 4.35Å; I297-H316 PolarHBondContact N-O 2.89Å; I297-H316 PolarHBondContact O-N 2.85Å; I297-F318 HydrophobicContact CG1-CE1 4.45Å; I297-F331 HydrophobicContact CD1-CZ 4.38Å; I297-L347 HydrophobicContact CD1-CD2 4.1Å; I297-W365 HydrophobicContact CB-CH2 4.44Å; I297-W365 HydrophobicContact CD1-CH2 4.02Å; I297-W365 HydrophobicContact CD1-CZ3 4.34Å; I297-W365 HydrophobicContact CG1-CH2 3.67Å; I297-W365 HydrophobicContact CG1-CZ2 4.27Å; I297-W365 HydrophobicContact CG1-CZ3 4.18Å; I297-W365 HydrophobicContact CG2-CH2 4.21Å; I297-W365 HydrophobicContact CG2-CZ2 4.43Å |
| 298 | Y | 92.2 | Very high | 81.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | -174.3 | -49.7 | -101.4 | 0 | 0 | 0 | 110.6 | L267 C285 L286 S288 C296 P314 | L267-Y298 HydrophobicContact CB-CD1 4.36Å; L267-Y298 HydrophobicContact CB-CE1 3.77Å; L267-Y298 HydrophobicContact CD1-CD1 3.89Å; L267-Y298 HydrophobicContact CD1-CD2 3.78Å; L267-Y298 HydrophobicContact CD1-CE1 4.01Å; L267-Y298 HydrophobicContact CD1-CE2 3.91Å; L267-Y298 HydrophobicContact CD1-CG 3.77Å; L267-Y298 HydrophobicContact CD2-CD1 3.83Å; L267-Y298 HydrophobicContact CD2-CE1 4.06Å; L267-Y298 HydrophobicContact CD2-CG 4.39Å; L267-Y298 HydrophobicContact CG-CD1 4.25Å; L267-Y298 HydrophobicContact CG-CE1 4.16Å; C285-Y298 WeakPolarHBondContact CA-O 3.33Å; L286-Y298 HydrophobicContact CG-CD2 4.49Å; L286-Y298 PolarHBondContact N-O 3.45Å; L286-Y298 WeakPolarHBondContact O-CD2 3.46Å; L286-Y298 PolarHBondContact O-N 2.94Å; S288-Y298 WeakPolarHBondContact OG-CE2 3.44Å; C296-Y298 HydrophobicContact CB-CE2 3.61Å; C296-Y298 WeakPolarHBondContact CB-OH 3.39Å; Y298-P314 HydrophobicContact CD1-CB 3.9Å; Y298-P314 HydrophobicContact CE1-CB 3.81Å; Y298-P314 HydrophobicContact CE1-CG 4.17Å; Y298-P314 HydrophobicContact CG-CB 4.43Å |
| 299 | S | 88.6 | Confident | 80.4 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.8 | 164.1 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | V301 S302 | S299-V301 WeakPolarHBondContact OG-CG2 3.48Å; S299-V301 PolarHBondContact OG-N 3.34Å; S299-S302 WeakPolarHBondContact CB-OG 3.38Å; S299-S302 WeakPolarHBondContact OG-CB 3.45Å; S299-S302 PolarHBondContact OG-N 3.32Å; S299-S302 VanDerWaalsContact OG-N 3.11Å; S299-S302 PolarHBondContact OG-OG 3.37Å |
| 300 | L | 85.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -88 | -8 | 174.2 | -64.5 | -172.5 | 0 | 0 | 0 | 112.7 | V219 L262 L279 A283 T284 L286 L312 | V219-L300 HydrophobicContact CG1-CD1 4.36Å; V219-L300 HydrophobicContact CG2-CD2 4.38Å; L262-L300 HydrophobicContact CD2-CB 3.92Å; L262-L300 HydrophobicContact CD2-CD1 4.31Å; L262-L300 HydrophobicContact CD2-CD2 4.19Å; L262-L300 HydrophobicContact CD2-CG 4.36Å; L279-L300 HydrophobicContact CD2-CD1 3.63Å; A283-L300 VanDerWaalsContact O-CB 3.28Å; A283-L300 WeakPolarHBondContact O-CB 3.36Å; A283-L300 WeakPolarHBondContact O-CD1 3.41Å; T284-L300 PolarHBondContact O-N 2.85Å; L286-L300 HydrophobicContact CB-CD1 4.07Å; L286-L300 HydrophobicContact CB-CD2 4.17Å; L286-L300 HydrophobicContact CB-CG 4.12Å; L286-L300 HydrophobicContact CD2-CD2 4.37Å; L300-L312 HydrophobicContact CD2-CD1 3.67Å |
| 301 | V | 77.8 | Confident | 78.8 | Confident | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -96.8 | -10.8 | 175.1 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | L188 V198 F199 P201 T284 S299 | L188-V301 HydrophobicContact CD1-CG1 4.06Å; V198-V301 CarbonylContact C-O 3.31Å; V198-V301 WeakPolarHBondContact CA-O 3.26Å; V198-V301 WeakPolarHBondContact CG1-O 3.32Å; F199-V301 PolarHBondContact N-O 3.44Å; P201-V301 HydrophobicContact CB-CG1 4.17Å; T284-V301 HydrophobicContact CG2-CG1 4.18Å; S299-V301 WeakPolarHBondContact OG-CG2 3.48Å; S299-V301 PolarHBondContact OG-N 3.34Å |
| 302 | S | 68 | Low | 78.3 | Confident | 60 Ų | 60 | 44.5 Ų | 44.5 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -93 | 123.2 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | S299 | S299-S302 WeakPolarHBondContact CB-OG 3.38Å; S299-S302 WeakPolarHBondContact OG-CB 3.45Å; S299-S302 PolarHBondContact OG-N 3.32Å; S299-S302 VanDerWaalsContact OG-N 3.11Å; S299-S302 PolarHBondContact OG-OG 3.37Å |
| 303 | R | 62.9 | Low | 77.7 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 137.1 | 179.1 | -170.9 | -176.3 | -67.5 | 153.6 | -5 | 110.1 | D196 D197 V198 F199 E260 | D196-R303 PolarHBondContact O-NH1 3.47Å; D197-R303 WeakPolarHBondContact O-CB 3.43Å; D197-R303 PolarHBondContact O-N 2.84Å; V198-R303 PolarHBondContact O-NH2 2.95Å; F199-R303 HydrophobicContact CD2-CB 3.69Å; F199-R303 HydrophobicContact CD2-CG 4.12Å; F199-R303 HydrophobicContact CE2-CB 3.73Å; F199-R303 HydrophobicContact CE2-CG 3.71Å; F199-R303 HydrophobicContact CG-CB 4.34Å; F199-R303 HydrophobicContact CZ-CB 4.41Å; F199-R303 HydrophobicContact CZ-CG 3.92Å; E260-R303 PolarHBondContact O-NH2 2.97Å |
| 304 | M | 56.5 | Low | 77.4 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -85 | 133 | 167.6 | -74.1 | -165.3 | 63.3 | 0 | 0 | 110.7 | K311 R313 | M304-K311 WeakPolarHBondContact CG-O 3.21Å; M304-R313 HydrophobicContact CE-CG 4.23Å; M304-R313 HydrophobicContact SD-CB 4.21Å; M304-R313 HydrophobicContact SD-CG 3.74Å |
| 305 | T | 54.2 | Low | 77.1 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 145.8 | 176.2 | 39 | 0 | 0 | 0 | 0 | 112.2 | D197 | D197-T305 WeakPolarHBondContact OD1-CG2 3.37Š|
| 306 | G | 59.6 | Low | 76.7 | Confident | 52 Ų | 52 | 59 Ų | 59 | 54% | 0.536 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 95.3 | -163.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M308 | G306-M308 PolarHBondContact O-N 3.48Š|
| 307 | D | 54.9 | Low | 76.6 | Confident | 169 Ų | 169 | 62.3 Ų | 62.3 | 90% | 0.904 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 1.7 | -167.2 | -53.6 | -40.3 | 0 | 0 | 0 | 115.3 | ||
| 308 | M | 63.8 | Low | 76.6 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 36.3 | -176.9 | -68.3 | -80.2 | 169.2 | 0 | 0 | 111.7 | G306 Y310 K311 | G306-M308 PolarHBondContact O-N 3.48Å; M308-Y310 PolarHBondContact O-N 3.06Å; M308-K311 HydrophobicContact CB-CB 4.41Å; M308-K311 PolarHBondContact O-N 3.05Å; M308-K311 HydrophobicContact SD-CD 3.78Å; M308-K311 HydrophobicContact SD-CG 4.39Å |
| 309 | K | 66.8 | Low | 76.8 | Confident | 131 Ų | 131 | 65.7 Ų | 65.7 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.2 | -35.7 | -174 | -77.9 | -175.6 | 174.8 | 179.2 | 0 | 116 | ||
| 310 | Y | 78.1 | Confident | 77.1 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.5 | -176.9 | 60.1 | -102.2 | 0 | 0 | 0 | 114.5 | I254 Y264 A265 E266 M308 | I254-Y310 HydrophobicContact CG2-CD1 4.43Å; Y264-Y310 HydrophobicContact CD1-CD2 4.23Å; Y264-Y310 HydrophobicContact CD1-CG 4.15Å; Y264-Y310 AromaticContact CE1-CD2 3.84Å; Y264-Y310 HydrophobicContact CE1-CD2 3.84Å; Y264-Y310 HydrophobicContact CE1-CE2 4.45Å; Y264-Y310 HydrophobicContact CE1-CG 4.22Å; A265-Y310 CarbonylContact C-O 3.48Å; A265-Y310 WeakPolarHBondContact CA-O 2.99Å; A265-Y310 WeakPolarHBondContact CB-O 3.41Å; E266-Y310 HydrophobicContact CB-CD2 4.28Å; E266-Y310 PolarHBondContact N-O 3.4Å; M308-Y310 PolarHBondContact O-N 3.06Å |
| 311 | K | 79.6 | Confident | 77.6 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -99.8 | 132.7 | 171.6 | -62 | -166.8 | -177.3 | 176.4 | 0 | 109.6 | E266 M304 M308 | E266-K311 WeakPolarHBondContact O-CA 3.33Å; M304-K311 WeakPolarHBondContact CG-O 3.21Å; M308-K311 HydrophobicContact CB-CB 4.41Å; M308-K311 PolarHBondContact O-N 3.05Å; M308-K311 HydrophobicContact SD-CD 3.78Å; M308-K311 HydrophobicContact SD-CG 4.39Å |
| 312 | L | 82 | Confident | 78.2 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | trans | -112.8 | 142.5 | 175 | -42.7 | 175.6 | 0 | 0 | 0 | 108.3 | F199 A265 L267 L300 | F199-L312 HydrophobicContact CE2-CD2 3.97Å; A265-L312 HydrophobicContact CB-CD1 3.97Å; A265-L312 HydrophobicContact CB-CG 4.07Å; L267-L312 HydrophobicContact CD2-CB 3.57Å; L267-L312 HydrophobicContact CD2-CD1 4.16Å; L267-L312 HydrophobicContact CD2-CG 3.94Å; L300-L312 HydrophobicContact CD2-CD1 3.67Å | ||
| 313 | R | 80.4 | Confident | 79.2 | Confident | 181 Ų | 181 | 62.8 Ų | 62.8 | 68% | 0.683 | 33% | 0.331 | S | S | * | . | trans | -89.3 | 149.8 | 169.1 | -79.1 | 174.2 | -177.3 | 166.9 | 3.5 | 110.3 | M304 | M304-R313 HydrophobicContact CE-CG 4.23Å; M304-R313 HydrophobicContact SD-CB 4.21Å; M304-R313 HydrophobicContact SD-CG 3.74Å | ||
| 314 | P | 88.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.2 | 172.5 | 27.7 | -33 | 0 | 0 | 0 | 110.6 | D269 C296 I297 Y298 H316 V317 | D269-P314 HydrophobicContact CB-CG 4.17Å; D269-P314 VanDerWaalsContact CG-CD 3.44Å; D269-P314 WeakPolarHBondContact OD1-CD 3.44Å; C296-P314 HydrophobicContact CB-CB 4.18Å; I297-P314 CarbonylContact O-C 3.58Å; I297-P314 VanDerWaalsContact O-C 3.31Å; I297-P314 WeakPolarHBondContact O-CA 3.28Å; I297-P314 VanDerWaalsContact O-CB 3.29Å; I297-P314 WeakPolarHBondContact O-CB 3.47Å; Y298-P314 HydrophobicContact CD1-CB 3.9Å; Y298-P314 HydrophobicContact CE1-CB 3.81Å; Y298-P314 HydrophobicContact CE1-CG 4.17Å; Y298-P314 HydrophobicContact CG-CB 4.43Å; P314-H316 VanDerWaalsContact C-N 3.34Å; P314-V317 HydrophobicContact CB-CG2 3.58Å; P314-V317 HydrophobicContact CG-CG2 3.36Å |
| 315 | I | 88.9 | Confident | 82.2 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -21.9 | 171.2 | 57.8 | 169 | 0 | 0 | 0 | 112 | I297 | I297-I315 HydrophobicContact CB-CG1 4.39Å; I297-I315 HydrophobicContact CG2-CD1 4.16Å; I297-I315 HydrophobicContact CG2-CG1 4.02Å; I297-I315 WeakPolarHBondContact O-CG1 3.44Å; I297-I315 PolarHBondContact O-N 3.28Å |
| 316 | H | 90.7 | Very high | 84.2 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 139.6 | 174 | -175.9 | -127.3 | 0 | 0 | 0 | 110.9 | I297 P314 F318 W365 | I297-H316 HydrophobicContact CB-CB 4.18Å; I297-H316 HydrophobicContact CG1-CB 4.35Å; I297-H316 PolarHBondContact N-O 2.89Å; I297-H316 PolarHBondContact O-N 2.85Å; P314-H316 VanDerWaalsContact C-N 3.34Å; H316-F318 AromaticContact CE1-CD1 3.33Å; H316-F318 WeakPolarHBondContact CE1-CD1 3.46Å; H316-F318 AromaticContact CE1-CE1 3.94Å; H316-F318 AromaticContact CE1-CG 3.48Å; H316-F318 VanDerWaalsContact CE1-CG 3.48Å; H316-F318 WeakPolarHBondContact CE1-CG 3.42Å; H316-F318 AromaticContact ND1-CD1 3.41Å; H316-F318 WeakPolarHBondContact ND1-CD1 3.46Å; H316-F318 AromaticContact ND1-CE1 3.81Å; H316-W365 HydrophobicContact CB-CZ2 4.22Å; H316-W365 AromaticContact CE1-CD1 3.68Å; H316-W365 AromaticContact CE1-CD2 3.36Å; H316-W365 AromaticContact CE1-CE2 3.84Å; H316-W365 AromaticContact CE1-CE3 3.84Å; H316-W365 AromaticContact CE1-CG 3.3Å; H316-W365 AromaticContact CE1-NE1 3.97Å; H316-W365 AromaticContact CG-CE2 3.83Å; H316-W365 AromaticContact CG-NE1 3.82Å; H316-W365 AromaticContact ND1-CD1 3.85Å; H316-W365 AromaticContact ND1-CD2 3.24Å; H316-W365 AromaticContact ND1-CE2 3.29Å; H316-W365 VanDerWaalsContact ND1-CE2 3.29Å; H316-W365 AromaticContact ND1-CE3 3.64Å; H316-W365 AromaticContact ND1-CG 3.65Å; H316-W365 AromaticContact ND1-CZ2 3.78Å; H316-W365 AromaticContact ND1-NE1 3.64Å; H316-W365 AromaticContact NE2-CD1 3.94Å; H316-W365 AromaticContact NE2-CG 3.91Å |
| 317 | V | 94.6 | Very high | 85.7 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.2 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | K294 V295 C296 P314 | K294-V317 HydrophobicContact CB-CG1 4.43Å; K294-V317 HydrophobicContact CD-CG1 3.94Å; V295-V317 WeakPolarHBondContact O-CA 3.46Å; C296-V317 HydrophobicContact CB-CG2 4.34Å; P314-V317 HydrophobicContact CB-CG2 3.58Å; P314-V317 HydrophobicContact CG-CG2 3.36Å |
| 318 | F | 95.2 | Very high | 87.6 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 167.1 | -177.6 | 72 | -62.2 | 0 | 0 | 0 | 112 | K294 V295 I297 H316 P320 L347 W360 W365 | K294-F318 CarbonylContact C-O 3.48Å; K294-F318 VanDerWaalsContact CA-O 3.25Å; K294-F318 WeakPolarHBondContact CA-O 3.34Å; V295-F318 HydrophobicContact CB-CD1 3.99Å; V295-F318 HydrophobicContact CB-CE1 3.64Å; V295-F318 HydrophobicContact CB-CZ 4.29Å; V295-F318 HydrophobicContact CG1-CD1 4.38Å; V295-F318 HydrophobicContact CG1-CE1 3.72Å; V295-F318 HydrophobicContact CG1-CZ 4.47Å; V295-F318 HydrophobicContact CG2-CE1 4.45Å; V295-F318 PolarHBondContact N-O 3.46Å; V295-F318 PolarHBondContact O-N 2.94Å; I297-F318 HydrophobicContact CG1-CE1 4.45Å; H316-F318 AromaticContact CE1-CD1 3.33Å; H316-F318 WeakPolarHBondContact CE1-CD1 3.46Å; H316-F318 AromaticContact CE1-CE1 3.94Å; H316-F318 AromaticContact CE1-CG 3.48Å; H316-F318 VanDerWaalsContact CE1-CG 3.48Å; H316-F318 WeakPolarHBondContact CE1-CG 3.42Å; H316-F318 AromaticContact ND1-CD1 3.41Å; H316-F318 WeakPolarHBondContact ND1-CD1 3.46Å; H316-F318 AromaticContact ND1-CE1 3.81Å; F318-P320 HydrophobicContact CD2-CB 4.12Å; F318-P320 HydrophobicContact CD2-CG 4.44Å; F318-P320 HydrophobicContact CE2-CB 3.71Å; F318-P320 HydrophobicContact CE2-CG 4.13Å; F318-P320 HydrophobicContact CZ-CB 4.4Å; F318-P320 HydrophobicContact CZ-CG 4.46Å; F318-P320 WeakPolarHBondContact O-CD 3.05Å; F318-L347 HydrophobicContact CE1-CD2 4.45Å; F318-L347 HydrophobicContact CZ-CD2 4.14Å; F318-W360 HydrophobicContact CE2-CD2 4.01Å; F318-W360 HydrophobicContact CE2-CE3 4.05Å; F318-W360 HydrophobicContact CE2-CH2 4.24Å; F318-W360 HydrophobicContact CE2-CZ2 4.19Å; F318-W360 HydrophobicContact CE2-CZ3 4.15Å; F318-W365 AromaticContact CE1-CE3 3.97Å; F318-W365 HydrophobicContact CE1-CE3 3.97Å; F318-W365 HydrophobicContact CE1-CZ3 4.02Å; F318-W365 AromaticContact CZ-CE3 3.89Å; F318-W365 HydrophobicContact CZ-CE3 3.89Å; F318-W365 HydrophobicContact CZ-CZ3 4.12Å |
| 319 | S | 95.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | trans | -118.4 | 75.6 | -178.5 | -61 | 0 | 0 | 0 | 0 | 110.8 | G293 H321 G322 R1065 | G293-S319 WeakPolarHBondContact O-CA 3.37Å; G293-S319 WeakPolarHBondContact O-CB 3.2Å; S319-H321 VanDerWaalsContact C-N 3.3Å; S319-H321 PolarHBondContact O-N 3.26Å; S319-G322 PolarHBondContact O-N 3Å; S319-R1065 PolarHBondContact OG-NE 2.85Å; S319-R1065 PolarHBondContact OG-NH2 2.86Å | ||
| 320 | P | 95.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.7 | -160.9 | 13.2 | -28.4 | 0 | 0 | 0 | 116.4 | V295 F318 L326 T349 R358 W360 | V295-P320 HydrophobicContact CB-CG 4.48Å; V295-P320 HydrophobicContact CG2-CG 3.68Å; F318-P320 HydrophobicContact CD2-CB 4.12Å; F318-P320 HydrophobicContact CD2-CG 4.44Å; F318-P320 HydrophobicContact CE2-CB 3.71Å; F318-P320 HydrophobicContact CE2-CG 4.13Å; F318-P320 HydrophobicContact CZ-CB 4.4Å; F318-P320 HydrophobicContact CZ-CG 4.46Å; F318-P320 WeakPolarHBondContact O-CD 3.05Å; P320-L326 HydrophobicContact CG-CD1 3.94Å; P320-L326 HydrophobicContact CG-CD2 4.35Å; P320-T349 HydrophobicContact CB-CG2 4.18Å; P320-T349 HydrophobicContact CG-CG2 4Å; P320-R358 WeakPolarHBondContact O-CD 3.5Å; P320-R358 PolarHBondContact O-NH1 2.61Å; P320-W360 HydrophobicContact CB-CH2 4.11Å; P320-W360 HydrophobicContact CB-CZ2 3.3Å; P320-W360 WeakPolarHBondContact O-CZ2 3.37Å |
| 321 | H | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 16.5 | -177.8 | -62.6 | -99.2 | 0 | 0 | 0 | 113.5 | S319 L324 L326 T349 A351 E356 R358 K1069 | S319-H321 VanDerWaalsContact C-N 3.3Å; S319-H321 PolarHBondContact O-N 3.26Å; H321-L324 HydrophobicContact CB-CB 4.34Å; H321-L326 HydrophobicContact CB-CD2 4.45Å; H321-T349 PolarHBondContact NE2-O 3.26Å; H321-T349 PolarHBondContact NE2-OG1 3.3Å; H321-A351 HydrophobicContact CB-CB 3.6Å; H321-E356 PolarHBondContact CE1-O 2.87Å; H321-E356 IonicContact CE1-OE1 3.14Å; H321-E356 IonicContact CG-OE1 2.65Å; H321-E356 IonicContact ND1-OE1 3.88Å; H321-E356 PolarHBondContact ND1-OE1 2.92Å; H321-R358 PolarHBondContact ND1-NE 2.97Å; H321-K1069 PolarHBondContact O-NZ 3.32Å |
| 322 | G | 90.2 | Very high | 91.9 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 74 | 33.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S319 R1065 | S319-G322 PolarHBondContact O-N 3Å; G322-R1065 WeakPolarHBondContact O-CB 3.41Å |
| 323 | G | 89.1 | Confident | 92.2 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 91 | 0.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 324 | L | 91.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 29.6 Ų | 29.6 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 140.9 | 174.1 | -63.3 | 169.2 | 0 | 0 | 0 | 109.6 | G293 H321 L326 A351 E352 | G293-L324 WeakPolarHBondContact CA-O 3.4Å; H321-L324 HydrophobicContact CB-CB 4.34Å; L324-L326 WeakPolarHBondContact O-CD2 3.19Å; L324-L326 PolarHBondContact O-N 3.01Å; L324-A351 HydrophobicContact CB-CB 4.14Å; L324-E352 HydrophobicContact CD1-CG 3.81Å; L324-E352 VanDerWaalsContact CD1-OE1 3.27Å; L324-E352 WeakPolarHBondContact CD1-OE1 3.37Å |
| 325 | P | 91.5 | Very high | 92 | Very high | 51 Ų | 51 | 29 Ų | 29 | 33% | 0.331 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -52 | 136.5 | 177 | -29.8 | 36.3 | 0 | 0 | 0 | 112.4 | L291 Y327 | L291-P325 HydrophobicContact CD2-CB 4.02Å; P325-Y327 HydrophobicContact CB-CE2 3.95Å; P325-Y327 WeakPolarHBondContact O-CD2 3.45Å; P325-Y327 WeakPolarHBondContact O-CE2 3.45Å |
| 326 | L | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 145.3 | -174.9 | -54.9 | -175.1 | 0 | 0 | 0 | 111.4 | T275 A289 S290 K294 V295 P320 H321 L324 G350 A351 | T275-L326 VanDerWaalsContact CB-O 3.29Å; T275-L326 WeakPolarHBondContact CB-O 3.47Å; T275-L326 WeakPolarHBondContact CG2-O 3.38Å; T275-L326 PolarHBondContact OG1-O 2.94Å; A289-L326 HydrophobicContact CB-CB 3.97Å; A289-L326 HydrophobicContact CB-CD1 3.93Å; S290-L326 PolarHBondContact O-N 3.13Å; K294-L326 VanDerWaalsContact O-CD1 3.32Å; K294-L326 WeakPolarHBondContact O-CD1 3.37Å; V295-L326 HydrophobicContact CG2-CD1 3.47Å; V295-L326 VanDerWaalsContact CG2-CD1 3.47Å; P320-L326 HydrophobicContact CG-CD1 3.94Å; P320-L326 HydrophobicContact CG-CD2 4.35Å; H321-L326 HydrophobicContact CB-CD2 4.45Å; L324-L326 WeakPolarHBondContact O-CD2 3.19Å; L324-L326 PolarHBondContact O-N 3.01Å; L326-G350 CarbonylContact C-O 3.55Å; L326-G350 WeakPolarHBondContact CA-O 3.42Å; L326-A351 HydrophobicContact CD2-CB 3.88Å |
| 327 | Y | 92.3 | Very high | 90.6 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 1.3 | -177.8 | -59.5 | -87 | 0 | 0 | 0 | 113.7 | L291 P325 G350 N354 | L291-Y327 HydrophobicContact CD2-CE1 4.09Å; P325-Y327 HydrophobicContact CB-CE2 3.95Å; P325-Y327 WeakPolarHBondContact O-CD2 3.45Å; P325-Y327 WeakPolarHBondContact O-CE2 3.45Å; Y327-G350 PolarHBondContact N-O 2.89Å; Y327-N354 WeakPolarHBondContact CB-OD1 3.48Å; Y327-N354 PolarHBondContact O-ND2 3.08Å; Y327-N354 VanDerWaalsContact O-ND2 3.11Å |
| 328 | A | 94.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 144.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T349 G350 N354 L397 | A328-T349 WeakPolarHBondContact O-CA 3.32Å; A328-G350 PolarHBondContact N-O 2.84Å; A328-G350 PolarHBondContact O-N 3.05Å; A328-N354 VanDerWaalsContact CB-OD1 3.31Å; A328-N354 WeakPolarHBondContact CB-OD1 3.28Å; A328-N354 PolarHBondContact N-OD1 3.38Å; A328-L397 HydrophobicContact CB-CD1 3.73Å |
| 329 | L | 96.7 | Very high | 87.1 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 117.3 | 173.7 | -169.8 | 70.8 | 0 | 0 | 0 | 108.1 | A276 G287 S288 A289 V295 L347 L348 T349 | A276-L329 HydrophobicContact CB-CB 3.81Å; G287-L329 WeakPolarHBondContact O-CD2 3.41Å; S288-L329 VanDerWaalsContact C-CD2 3.46Å; A289-L329 HydrophobicContact CB-CB 3.93Å; A289-L329 HydrophobicContact CB-CD1 4.42Å; A289-L329 HydrophobicContact CB-CD2 3.97Å; A289-L329 HydrophobicContact CB-CG 4.35Å; V295-L329 HydrophobicContact CB-CD1 4.48Å; V295-L329 HydrophobicContact CG1-CD1 3.83Å; V295-L329 HydrophobicContact CG1-CD2 4.29Å; V295-L329 HydrophobicContact CG2-CD1 3.74Å; L329-L347 HydrophobicContact CD1-CD1 3.66Å; L329-L347 HydrophobicContact CD1-CD2 3.89Å; L329-L347 HydrophobicContact CD1-CG 4Å; L329-L347 HydrophobicContact CG-CD1 4.04Å; L329-L348 CarbonylContact C-O 3.5Å; L329-L348 WeakPolarHBondContact CA-O 3.33Å; L329-T349 HydrophobicContact CD1-CG2 3.91Å |
| 330 | I | 95.7 | Very high | 85 | Confident | 36 Ų | 36 | 37.7 Ų | 37.7 | 19% | 0.185 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 118.2 | -175.6 | -47.2 | 179.2 | 0 | 0 | 0 | 110.3 | L332 L348 L397 V399 | I330-L332 HydrophobicContact CG2-CD2 4.25Å; I330-L348 HydrophobicContact CB-CB 4.35Å; I330-L348 HydrophobicContact CD1-CD2 4.41Å; I330-L348 PolarHBondContact N-O 3.09Å; I330-L348 PolarHBondContact O-N 3.26Å; I330-L397 HydrophobicContact CD1-CB 4.42Å; I330-V399 HydrophobicContact CD1-CG2 4.07Å; I330-V399 HydrophobicContact CG2-CG2 4.06Å |
| 331 | F | 94.9 | Very high | 83 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.8 | 163 | -70.5 | -59.7 | 0 | 0 | 0 | 110 | S278 I297 D333 W344 Y346 L347 | S278-F331 VanDerWaalsContact O-CE2 3.27Å; S278-F331 WeakPolarHBondContact O-CE2 3.45Å; S278-F331 PolarHBondContact OG-N 3.42Å; I297-F331 HydrophobicContact CD1-CZ 4.38Å; F331-D333 PolarHBondContact O-N 3.3Å; F331-D333 VanDerWaalsContact O-N 3.08Å; F331-W344 HydrophobicContact CD1-CB 3.66Å; F331-W344 HydrophobicContact CD2-CB 4.39Å; F331-W344 HydrophobicContact CE1-CB 3.74Å; F331-W344 HydrophobicContact CE2-CB 4.44Å; F331-W344 HydrophobicContact CG-CB 4.01Å; F331-W344 HydrophobicContact CZ-CB 4.14Å; F331-Y346 WeakPolarHBondContact CA-O 3.24Å; F331-L347 HydrophobicContact CD1-CB 4.38Å; F331-L347 HydrophobicContact CD1-CD1 3.73Å; F331-L347 HydrophobicContact CE1-CD1 3.82Å; F331-L347 HydrophobicContact CG-CD1 4.27Å; F331-L347 HydrophobicContact CZ-CD1 4.45Å |
| 332 | L | 92.5 | Very high | 81.3 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -90.3 | 55.1 | -174.9 | -58.2 | 177.1 | 0 | 0 | 0 | 111.6 | I330 Y346 L348 L359 V399 L421 | I330-L332 HydrophobicContact CG2-CD2 4.25Å; L332-Y346 PolarHBondContact N-O 3.29Å; L332-L348 HydrophobicContact CD1-CB 4.41Å; L332-L348 HydrophobicContact CD2-CB 4.3Å; L332-L348 HydrophobicContact CG-CB 4.46Å; L332-L359 HydrophobicContact CD1-CD1 3.43Å; L332-L359 VanDerWaalsContact CD1-CD1 3.43Å; L332-V399 HydrophobicContact CD2-CG1 4.36Å; L332-V399 HydrophobicContact CD2-CG2 3.87Å; L332-L421 HydrophobicContact CB-CD2 4.17Å; L332-L421 HydrophobicContact CD1-CD1 4.17Å; L332-L421 HydrophobicContact CD1-CD2 3.88Å; L332-L421 HydrophobicContact CG-CD2 4.49Å | ||
| 333 | D | 87 | Confident | 80.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | trans | -81.5 | 130 | -177 | -68.1 | -2.4 | 0 | 0 | 0 | 111 | R281 F331 V335 T343 W344 | R281-D333 HydrophobicContact CB-CB 3.98Å; R281-D333 WeakPolarHBondContact CB-OD2 3.25Å; R281-D333 PolarHBondContact N-OD2 3.22Å; F331-D333 PolarHBondContact O-N 3.3Å; F331-D333 VanDerWaalsContact O-N 3.08Å; D333-V335 PolarHBondContact O-N 3.3Å; D333-V335 VanDerWaalsContact O-N 3.15Å; D333-T343 WeakPolarHBondContact OD2-CG2 3.23Å; D333-W344 VanDerWaalsContact OD1-CA 3.26Å; D333-W344 WeakPolarHBondContact OD1-CA 3.2Å; D333-W344 PolarHBondContact OD1-N 2.6Å; D333-W344 PolarHBondContact OD2-N 2.77Å | ||
| 334 | N | 85.6 | Confident | 80.7 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.193 | 22% | 0.221 | C | C | . | . | trans | -76.9 | 103.9 | 171.7 | -173 | -26.6 | 0 | 0 | 0 | 109.7 | R281 L336 H337 S402 | R281-N334 PolarHBondContact NH1-O 3.03Å; R281-N334 VanDerWaalsContact NH1-O 3.09Å; N334-L336 VanDerWaalsContact C-N 3.3Å; N334-L336 PolarHBondContact O-N 3.25Å; N334-L336 PolarHBondContact OD1-N 3.38Å; N334-H337 PolarHBondContact OD1-N 3.01Å; N334-S402 PolarHBondContact ND2-O 3.13Å; N334-S402 VanDerWaalsContact ND2-O 3.08Å | ||
| 335 | V | 79.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.8 | -176.4 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | L123 P179 D333 R401 | L123-V335 HydrophobicContact CD2-CG1 3.31Å; P179-V335 HydrophobicContact CB-CG2 4.05Å; P179-V335 WeakPolarHBondContact O-CG1 3.33Å; D333-V335 PolarHBondContact O-N 3.3Å; D333-V335 VanDerWaalsContact O-N 3.15Å; V335-R401 WeakPolarHBondContact CB-O 3.25Å; V335-R401 PolarHBondContact N-O 2.72Å |
| 336 | L | 79.9 | Confident | 80.7 | Confident | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13.3 | -176.1 | -56.6 | -177 | 0 | 0 | 0 | 114.4 | N334 R401 | N334-L336 VanDerWaalsContact C-N 3.3Å; N334-L336 PolarHBondContact O-N 3.25Å; N334-L336 PolarHBondContact OD1-N 3.38Å; L336-R401 HydrophobicContact CD1-CB 4.4Å; L336-R401 HydrophobicContact CD2-CB 3.93Å; L336-R401 HydrophobicContact CG-CB 4.07Å |
| 337 | H | 70.3 | Confident | 80.8 | Confident | 121 Ų | 121 | 41 Ų | 41 | 56% | 0.56 | 21% | 0.208 | S | C | * | . | trans | -120.8 | 115.6 | -176.3 | -81.9 | -95.8 | 0 | 0 | 0 | 112.7 | R281 N334 D339 | R281-H337 PolarHBondContact NH1-O 3.23Å; N334-H337 PolarHBondContact OD1-N 3.01Å; H337-D339 PolarHBondContact O-N 2.78Å | ||
| 338 | N | 56.9 | Low | 81 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | trans | -69.1 | 27.2 | 177 | -59 | 2.6 | 0 | 0 | 0 | 114.5 | S184 E340 | S184-N338 PolarHBondContact OG-OD1 2.98Å; N338-E340 PolarHBondContact O-N 3.5Å | ||
| 339 | D | 58.8 | Low | 81.2 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | trans | -66.7 | 117.8 | 168.8 | -171.5 | -18 | 0 | 0 | 0 | 108.2 | R281 H337 S341 K448 | R281-D339 PolarHBondContact NH2-O 2.92Å; H337-D339 PolarHBondContact O-N 2.78Å; D339-S341 VanDerWaalsContact CG-OG 3.31Å; D339-S341 PolarHBondContact O-N 2.97Å; D339-S341 WeakPolarHBondContact OD1-CB 3.42Å; D339-S341 PolarHBondContact OD1-N 3.46Å; D339-S341 PolarHBondContact OD1-OG 2.97Å; D339-S341 PolarHBondContact OD2-OG 3.49Å; D339-K448 IonicContact OD1-NZ 3.65Å; D339-K448 IonicContact OD2-NZ 3.72Å; D339-K448 PolarHBondContact OD2-NZ 3.49Å | ||
| 340 | E | 52.4 | Low | 81.2 | Confident | 122 Ų | 122 | 38 Ų | 38 | 57% | 0.57 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -64.2 | -23.2 | -179.5 | -59 | -177.2 | 140.4 | 0 | 0 | 112 | T186 N338 I342 | T186-E340 HydrophobicContact CG2-CG 4.1Å; T186-E340 WeakPolarHBondContact CG2-OE1 3.32Å; N338-E340 PolarHBondContact O-N 3.5Å; E340-I342 PolarHBondContact O-N 3.47Å |
| 341 | S | 53.9 | Low | 81 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -88.8 | 14.7 | -166.3 | 66.4 | 0 | 0 | 0 | 0 | 115.8 | D339 K448 | D339-S341 VanDerWaalsContact CG-OG 3.31Å; D339-S341 PolarHBondContact O-N 2.97Å; D339-S341 WeakPolarHBondContact OD1-CB 3.42Å; D339-S341 PolarHBondContact OD1-N 3.46Å; D339-S341 PolarHBondContact OD1-OG 2.97Å; D339-S341 PolarHBondContact OD2-OG 3.49Å; S341-K448 PolarHBondContact OG-NZ 3.39Å |
| 342 | I | 60.5 | Low | 80.6 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.138 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -143.3 | 38 | 179.2 | -17.2 | 173 | 0 | 0 | 0 | 114.9 | E340 Y346 K448 | E340-I342 PolarHBondContact O-N 3.47Å; I342-Y346 HydrophobicContact CG2-CE2 4.28Å; I342-K448 HydrophobicContact CD1-CD 3.72Å; I342-K448 VanDerWaalsContact CD1-NZ 3.29Å; I342-K448 HydrophobicContact CG1-CD 3.68Å |
| 343 | T | 79.5 | Confident | 80.3 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -86.1 | 139 | 165.2 | -33.2 | 0 | 0 | 0 | 0 | 111.2 | R281 D282 D333 S345 | R281-T343 HydrophobicContact CB-CG2 3.84Å; R281-T343 PolarHBondContact NH2-OG1 3.07Å; D282-T343 HydrophobicContact CB-CG2 4.22Å; D282-T343 VanDerWaalsContact CG-CG2 3.44Å; D282-T343 WeakPolarHBondContact OD2-CB 3.29Å; D282-T343 VanDerWaalsContact OD2-CG2 3.23Å; D282-T343 WeakPolarHBondContact OD2-CG2 3.25Å; D282-T343 PolarHBondContact OD2-OG1 3.47Å; D282-T343 VanDerWaalsContact OD2-OG1 3.11Å; D333-T343 WeakPolarHBondContact OD2-CG2 3.23Å; T343-S345 PolarHBondContact O-N 3.38Å; T343-S345 PolarHBondContact O-OG 2.94Å; T343-S345 VanDerWaalsContact O-OG 3.13Å |
| 344 | W | 87.1 | Confident | 80.5 | Confident | 78 Ų | 78 | 40.1 Ų | 40.1 | 30% | 0.295 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 43.2 | 24.8 | -179.6 | 61.3 | -87.2 | 0 | 0 | 0 | 116.6 | T284 C285 F331 D333 Y346 C362 | T284-W344 PolarHBondContact OG1-NE1 3.37Å; C285-W344 HydrophobicContact CB-CB 4.33Å; C285-W344 HydrophobicContact CB-CD2 3.76Å; C285-W344 HydrophobicContact CB-CE3 4.38Å; C285-W344 HydrophobicContact CB-CG 3.73Å; F331-W344 HydrophobicContact CD1-CB 3.66Å; F331-W344 HydrophobicContact CD2-CB 4.39Å; F331-W344 HydrophobicContact CE1-CB 3.74Å; F331-W344 HydrophobicContact CE2-CB 4.44Å; F331-W344 HydrophobicContact CG-CB 4.01Å; F331-W344 HydrophobicContact CZ-CB 4.14Å; D333-W344 VanDerWaalsContact OD1-CA 3.26Å; D333-W344 WeakPolarHBondContact OD1-CA 3.2Å; D333-W344 PolarHBondContact OD1-N 2.6Å; D333-W344 PolarHBondContact OD2-N 2.77Å; W344-Y346 VanDerWaalsContact C-N 3.31Å; W344-Y346 PolarHBondContact O-N 3.11Å; W344-C362 HydrophobicContact CE3-CB 4.18Å; W344-C362 WeakPolarHBondContact O-CB 3.45Å; W344-C362 PolarHBondContact O-SG 2.92Å |
| 345 | S | 88.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | trans | -73.8 | -22 | -173.4 | -56.9 | 0 | 0 | 0 | 0 | 113.6 | T343 C362 | T343-S345 PolarHBondContact O-N 3.38Å; T343-S345 PolarHBondContact O-OG 2.94Å; T343-S345 VanDerWaalsContact O-OG 3.13Å; S345-C362 PolarHBondContact O-N 3.25Å | ||
| 346 | Y | 93.1 | Very high | 81.6 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.4 | 175.9 | -49.7 | -78.9 | 0 | 0 | 0 | 111.5 | F331 L332 I342 W344 W360 L368 V423 K448 I449 C450 | F331-Y346 WeakPolarHBondContact CA-O 3.24Å; L332-Y346 PolarHBondContact N-O 3.29Å; I342-Y346 HydrophobicContact CG2-CE2 4.28Å; W344-Y346 VanDerWaalsContact C-N 3.31Å; W344-Y346 PolarHBondContact O-N 3.11Å; Y346-W360 VanDerWaalsContact CA-O 3.22Å; Y346-W360 WeakPolarHBondContact CA-O 3.38Å; Y346-W360 WeakPolarHBondContact CB-O 3.35Å; Y346-L368 HydrophobicContact CD1-CD1 3.88Å; Y346-L368 HydrophobicContact CE1-CD1 3.96Å; Y346-V423 HydrophobicContact CE2-CG1 4.37Å; Y346-K448 PolarHBondContact OH-O 2.9Å; Y346-I449 VanDerWaalsContact OH-CA 3.28Å; Y346-I449 WeakPolarHBondContact OH-CA 3.49Å; Y346-I449 PolarHBondContact OH-N 2.7Å; Y346-I449 VanDerWaalsContact OH-N 3.16Å; Y346-C450 HydrophobicContact CD1-CB 3.64Å; Y346-C450 HydrophobicContact CD2-CB 3.7Å; Y346-C450 HydrophobicContact CE1-CB 3.44Å; Y346-C450 VanDerWaalsContact CE1-CB 3.44Å; Y346-C450 HydrophobicContact CE2-CB 3.52Å; Y346-C450 HydrophobicContact CG-CB 3.76Å |
| 347 | L | 96.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.8 | -179.2 | -177.7 | 69.5 | 0 | 0 | 0 | 109.8 | V295 I297 F318 L329 F331 T349 W360 W365 | V295-L347 HydrophobicContact CG1-CD2 4.37Å; I297-L347 HydrophobicContact CD1-CD2 4.1Å; F318-L347 HydrophobicContact CE1-CD2 4.45Å; F318-L347 HydrophobicContact CZ-CD2 4.14Å; L329-L347 HydrophobicContact CD1-CD1 3.66Å; L329-L347 HydrophobicContact CD1-CD2 3.89Å; L329-L347 HydrophobicContact CD1-CG 4Å; L329-L347 HydrophobicContact CG-CD1 4.04Å; F331-L347 HydrophobicContact CD1-CB 4.38Å; F331-L347 HydrophobicContact CD1-CD1 3.73Å; F331-L347 HydrophobicContact CE1-CD1 3.82Å; F331-L347 HydrophobicContact CG-CD1 4.27Å; F331-L347 HydrophobicContact CZ-CD1 4.45Å; L347-T349 HydrophobicContact CD2-CG2 4.08Å; L347-T349 HydrophobicContact CG-CG2 4.18Å; L347-W360 HydrophobicContact CB-CB 4.39Å; L347-W360 PolarHBondContact N-O 3.31Å; L347-W360 PolarHBondContact O-N 3.06Å; L347-W365 HydrophobicContact CD2-CZ3 4Å |
| 348 | L | 97.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.7 | 167.5 | -169.8 | 73.9 | 0 | 0 | 0 | 109.1 | L329 I330 L332 L357 R358 L397 L406 F452 | L329-L348 CarbonylContact C-O 3.5Å; L329-L348 WeakPolarHBondContact CA-O 3.33Å; I330-L348 HydrophobicContact CB-CB 4.35Å; I330-L348 HydrophobicContact CD1-CD2 4.41Å; I330-L348 PolarHBondContact N-O 3.09Å; I330-L348 PolarHBondContact O-N 3.26Å; L332-L348 HydrophobicContact CD1-CB 4.41Å; L332-L348 HydrophobicContact CD2-CB 4.3Å; L332-L348 HydrophobicContact CG-CB 4.46Å; L348-L357 HydrophobicContact CD1-CB 4.45Å; L348-R358 WeakPolarHBondContact CA-O 3.44Å; L348-L397 HydrophobicContact CD2-CD1 4.41Å; L348-L406 HydrophobicContact CD2-CD1 4.01Å; L348-L406 HydrophobicContact CD2-CD2 3.79Å; L348-F452 HydrophobicContact CD1-CE2 3.96Å; L348-F452 HydrophobicContact CD1-CZ 4.14Å |
| 349 | T | 98.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.2 | 171.6 | 66.4 | 0 | 0 | 0 | 0 | 110.2 | V295 P320 H321 A328 L329 L347 L357 R358 W360 | V295-T349 HydrophobicContact CG2-CG2 4.14Å; P320-T349 HydrophobicContact CB-CG2 4.18Å; P320-T349 HydrophobicContact CG-CG2 4Å; H321-T349 PolarHBondContact NE2-O 3.26Å; H321-T349 PolarHBondContact NE2-OG1 3.3Å; A328-T349 WeakPolarHBondContact O-CA 3.32Å; L329-T349 HydrophobicContact CD1-CG2 3.91Å; L347-T349 HydrophobicContact CD2-CG2 4.08Å; L347-T349 HydrophobicContact CG-CG2 4.18Å; T349-L357 CarbonylContact O-C 3.59Å; T349-L357 WeakPolarHBondContact O-CA 3.2Å; T349-R358 PolarHBondContact N-O 2.82Å; T349-R358 PolarHBondContact O-N 3.13Å; T349-W360 PolarHBondContact OG1-NE1 3.48Å |
| 350 | G | 96.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L326 Y327 A328 N354 E356 | L326-G350 CarbonylContact C-O 3.55Å; L326-G350 WeakPolarHBondContact CA-O 3.42Å; Y327-G350 PolarHBondContact N-O 2.89Å; A328-G350 PolarHBondContact N-O 2.84Å; A328-G350 PolarHBondContact O-N 3.05Å; G350-N354 WeakPolarHBondContact CA-OD1 3.25Å; G350-E356 WeakPolarHBondContact CA-O 3.24Å |
| 351 | A | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 179.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | H321 L324 L326 S353 N354 R355 E356 | H321-A351 HydrophobicContact CB-CB 3.6Å; L324-A351 HydrophobicContact CB-CB 4.14Å; L326-A351 HydrophobicContact CD2-CB 3.88Å; A351-S353 PolarHBondContact O-N 3.25Å; A351-N354 CarbonylContact O-C 3.59Å; A351-N354 VanDerWaalsContact O-CA 3.24Å; A351-N354 WeakPolarHBondContact O-CA 3.45Å; A351-N354 PolarHBondContact O-N 3.1Å; A351-R355 PolarHBondContact O-N 3.18Å; A351-E356 PolarHBondContact N-O 3.34Å; A351-E356 PolarHBondContact O-N 3.17Å |
| 352 | E | 85.7 | Confident | 91.1 | Very high | 82 Ų | 82 | 19.4 Ų | 19.4 | 38% | 0.383 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 51.1 | -177.8 | -57 | -170.2 | 161.6 | 0 | 0 | 111.6 | L324 N354 R355 | L324-E352 HydrophobicContact CD1-CG 3.81Å; L324-E352 VanDerWaalsContact CD1-OE1 3.27Å; L324-E352 WeakPolarHBondContact CD1-OE1 3.37Å; E352-N354 PolarHBondContact O-N 3.17Å; E352-R355 HydrophobicContact CB-CB 4.41Å; E352-R355 VanDerWaalsContact O-CB 3.23Å; E352-R355 WeakPolarHBondContact O-CB 3.16Å; E352-R355 WeakPolarHBondContact O-CG 3.28Å; E352-R355 PolarHBondContact O-N 3.12Å |
| 353 | S | 85 | Confident | 92.3 | Very high | 21 Ų | 21 | 22.2 Ų | 22.2 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.7 | -175.5 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | A351 R355 K392 S393 S394 I395 | A351-S353 PolarHBondContact O-N 3.25Å; S353-R355 VanDerWaalsContact C-N 3.31Å; S353-R355 PolarHBondContact O-N 2.66Å; S353-K392 WeakPolarHBondContact CB-O 3.42Å; S353-K392 PolarHBondContact OG-O 3.03Å; S353-S393 PolarHBondContact O-OG 3.13Å; S353-S394 PolarHBondContact O-N 2.99Å; S353-S394 PolarHBondContact O-OG 2.95Å; S353-I395 PolarHBondContact O-N 3.5Å |
| 354 | N | 92.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 23.9 | -173.3 | -71.6 | -21.5 | 0 | 0 | 0 | 115.9 | Y327 A328 G350 A351 E352 L357 S393 I395 | Y327-N354 WeakPolarHBondContact CB-OD1 3.48Å; Y327-N354 PolarHBondContact O-ND2 3.08Å; Y327-N354 VanDerWaalsContact O-ND2 3.11Å; A328-N354 VanDerWaalsContact CB-OD1 3.31Å; A328-N354 WeakPolarHBondContact CB-OD1 3.28Å; A328-N354 PolarHBondContact N-OD1 3.38Å; G350-N354 WeakPolarHBondContact CA-OD1 3.25Å; A351-N354 CarbonylContact O-C 3.59Å; A351-N354 VanDerWaalsContact O-CA 3.24Å; A351-N354 WeakPolarHBondContact O-CA 3.45Å; A351-N354 PolarHBondContact O-N 3.1Å; E352-N354 PolarHBondContact O-N 3.17Å; N354-L357 HydrophobicContact CB-CD2 4.17Å; N354-L357 WeakPolarHBondContact O-CD2 3.34Å; N354-S393 WeakPolarHBondContact CB-OG 3.45Å; N354-S393 PolarHBondContact ND2-OG 3.16Å; N354-S393 VanDerWaalsContact ND2-OG 3.07Å; N354-I395 HydrophobicContact CB-CB 3.83Å; N354-I395 HydrophobicContact CB-CG2 4.42Å; N354-I395 VanDerWaalsContact CB-O 3.29Å; N354-I395 WeakPolarHBondContact CB-O 3.31Å; N354-I395 PolarHBondContact ND2-O 2.92Å |
| 355 | R | 92.2 | Very high | 93 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.5 | 176.5 | -66.4 | 172.2 | 160.6 | -120.9 | -13.2 | 113.9 | A351 E352 S353 Q372 F373 S375 S394 I395 D410 T412 | A351-R355 PolarHBondContact O-N 3.18Å; E352-R355 HydrophobicContact CB-CB 4.41Å; E352-R355 VanDerWaalsContact O-CB 3.23Å; E352-R355 WeakPolarHBondContact O-CB 3.16Å; E352-R355 WeakPolarHBondContact O-CG 3.28Å; E352-R355 PolarHBondContact O-N 3.12Å; S353-R355 VanDerWaalsContact C-N 3.31Å; S353-R355 PolarHBondContact O-N 2.66Å; R355-Q372 CarbonylContact O-C 3.57Å; R355-Q372 VanDerWaalsContact O-CA 3.29Å; R355-Q372 WeakPolarHBondContact O-CA 3.47Å; R355-F373 PolarHBondContact O-N 3.39Å; R355-S375 PolarHBondContact NH1-O 2.95Å; R355-S375 PolarHBondContact NH2-OG 3.09Å; R355-S394 WeakPolarHBondContact CD-OG 3.5Å; R355-S394 PolarHBondContact NE-OG 3.27Å; R355-I395 HydrophobicContact CG-CD1 3.95Å; R355-I395 HydrophobicContact CG-CG1 4.24Å; R355-D410 IonicContact CZ-OD2 3.2Å; R355-D410 IonicContact NH2-OD1 2.67Å; R355-D410 IonicContact NH2-OD2 2.72Å; R355-D410 PolarHBondContact NH2-OD2 3.26Å; R355-T412 PolarHBondContact NH2-OG1 2.88Å |
| 356 | E | 95.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 24.5 Ų | 24.5 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.6 | 163.8 | -162.9 | -165 | 92.1 | 0 | 0 | 108.8 | H321 G350 A351 R358 V370 | H321-E356 PolarHBondContact CE1-O 2.87Å; H321-E356 IonicContact CE1-OE1 3.14Å; H321-E356 IonicContact CG-OE1 2.65Å; H321-E356 IonicContact ND1-OE1 3.88Å; H321-E356 PolarHBondContact ND1-OE1 2.92Å; G350-E356 WeakPolarHBondContact CA-O 3.24Å; A351-E356 PolarHBondContact N-O 3.34Å; A351-E356 PolarHBondContact O-N 3.17Å; E356-R358 IonicContact OE1-CZ 3.49Å; E356-R358 IonicContact OE1-NE 2.82Å; E356-R358 PolarHBondContact OE1-NE 2.99Å; E356-R358 IonicContact OE1-NH2 2.66Å; E356-R358 PolarHBondContact OE1-NH2 3.47Å; E356-R358 IonicContact OE2-NH2 2.72Å; E356-V370 HydrophobicContact CG-CG1 4.03Å |
| 357 | L | 97.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141.6 | 174.3 | -54.3 | -173.8 | 0 | 0 | 0 | 110.2 | L348 T349 N354 V370 I371 F373 L397 L406 | L348-L357 HydrophobicContact CD1-CB 4.45Å; T349-L357 CarbonylContact O-C 3.59Å; T349-L357 WeakPolarHBondContact O-CA 3.2Å; N354-L357 HydrophobicContact CB-CD2 4.17Å; N354-L357 WeakPolarHBondContact O-CD2 3.34Å; L357-V370 WeakPolarHBondContact O-CA 2.89Å; L357-I371 PolarHBondContact N-O 2.72Å; L357-I371 PolarHBondContact O-N 2.89Å; L357-F373 HydrophobicContact CD1-CE2 3.95Å; L357-F373 HydrophobicContact CG-CE2 4.32Å; L357-L397 HydrophobicContact CD1-CD1 4.15Å; L357-L397 HydrophobicContact CD1-CD2 4.21Å; L357-L397 HydrophobicContact CD2-CD1 3.86Å; L357-L406 HydrophobicContact CD1-CD2 4.05Å |
| 358 | R | 97.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 19% | 0.189 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.5 | 176.1 | -67.8 | 179 | -172.9 | -138.6 | -8.6 | 111.1 | P320 H321 L348 T349 E356 W360 Q369 V370 | P320-R358 WeakPolarHBondContact O-CD 3.5Å; P320-R358 PolarHBondContact O-NH1 2.61Å; H321-R358 PolarHBondContact ND1-NE 2.97Å; L348-R358 WeakPolarHBondContact CA-O 3.44Å; T349-R358 PolarHBondContact N-O 2.82Å; T349-R358 PolarHBondContact O-N 3.13Å; E356-R358 IonicContact OE1-CZ 3.49Å; E356-R358 IonicContact OE1-NE 2.82Å; E356-R358 PolarHBondContact OE1-NE 2.99Å; E356-R358 IonicContact OE1-NH2 2.66Å; E356-R358 PolarHBondContact OE1-NH2 3.47Å; E356-R358 IonicContact OE2-NH2 2.72Å; R358-W360 HydrophobicContact CB-CZ2 4.05Å; R358-W360 HydrophobicContact CG-CZ2 4.44Å; R358-Q369 WeakPolarHBondContact CA-O 3.3Å; R358-V370 HydrophobicContact CG-CG1 4.15Å; R358-V370 HydrophobicContact CG-CG2 4.18Å |
| 359 | L | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.1 | 173.2 | 175.9 | 61.7 | 0 | 0 | 0 | 109.3 | L332 C367 L368 Q369 L421 C450 F452 | L332-L359 HydrophobicContact CD1-CD1 3.43Å; L332-L359 VanDerWaalsContact CD1-CD1 3.43Å; L359-C367 CarbonylContact O-C 3.59Å; L359-L368 HydrophobicContact CD2-CB 4.47Å; L359-L368 HydrophobicContact CG-CB 4.3Å; L359-L368 HydrophobicContact CG-CD1 4.4Å; L359-L368 PolarHBondContact O-N 2.71Å; L359-Q369 HydrophobicContact CB-CB 4.21Å; L359-Q369 HydrophobicContact CD2-CB 4.41Å; L359-Q369 PolarHBondContact N-O 3.18Å; L359-Q369 PolarHBondContact O-N 3.21Å; L359-L421 HydrophobicContact CD2-CD1 4.47Å; L359-C450 WeakPolarHBondContact CD2-O 3.46Å; L359-F452 HydrophobicContact CD2-CD2 4.37Å; L359-F452 HydrophobicContact CD2-CE2 4.41Å |
| 360 | W | 95.9 | Very high | 93 | Very high | 22 Ų | 22 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.9 | -176.3 | -55.7 | 85 | 0 | 0 | 0 | 111.8 | F318 P320 Y346 L347 T349 R358 W365 S366 C367 | F318-W360 HydrophobicContact CE2-CD2 4.01Å; F318-W360 HydrophobicContact CE2-CE3 4.05Å; F318-W360 HydrophobicContact CE2-CH2 4.24Å; F318-W360 HydrophobicContact CE2-CZ2 4.19Å; F318-W360 HydrophobicContact CE2-CZ3 4.15Å; P320-W360 HydrophobicContact CB-CH2 4.11Å; P320-W360 HydrophobicContact CB-CZ2 3.3Å; P320-W360 WeakPolarHBondContact O-CZ2 3.37Å; Y346-W360 VanDerWaalsContact CA-O 3.22Å; Y346-W360 WeakPolarHBondContact CA-O 3.38Å; Y346-W360 WeakPolarHBondContact CB-O 3.35Å; L347-W360 HydrophobicContact CB-CB 4.39Å; L347-W360 PolarHBondContact N-O 3.31Å; L347-W360 PolarHBondContact O-N 3.06Å; T349-W360 PolarHBondContact OG1-NE1 3.48Å; R358-W360 HydrophobicContact CB-CZ2 4.05Å; R358-W360 HydrophobicContact CG-CZ2 4.44Å; W360-W365 VanDerWaalsContact CE3-O 3.31Å; W360-W365 WeakPolarHBondContact CZ3-O 3.49Å; W360-S366 VanDerWaalsContact CA-O 3.28Å; W360-S366 WeakPolarHBondContact CA-O 3.32Å; W360-C367 HydrophobicContact CD2-CB 4.27Å; W360-C367 HydrophobicContact CE3-CB 3.82Å; W360-C367 HydrophobicContact CH2-CB 3.9Å; W360-C367 HydrophobicContact CZ2-CB 4.33Å; W360-C367 HydrophobicContact CZ3-CB 3.63Å |
| 361 | S | 92.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.5 | 161.4 | 149.4 | 0 | 0 | 0 | 0 | 109 | S363 D364 W365 S366 | S361-S363 PolarHBondContact O-N 3.1Å; S361-S363 PolarHBondContact OG-N 2.78Å; S361-S363 PolarHBondContact OG-OG 2.78Å; S361-D364 WeakPolarHBondContact CB-OD1 3.49Å; S361-D364 VanDerWaalsContact OG-CG 3.3Å; S361-D364 PolarHBondContact OG-OD1 3.44Å; S361-W365 WeakPolarHBondContact O-CA 3.18Å; S361-W365 PolarHBondContact O-N 2.76Å; S361-S366 PolarHBondContact N-O 2.91Å |
| 362 | C | 90.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.2 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 113 | W344 S345 W365 | W344-C362 HydrophobicContact CE3-CB 4.18Å; W344-C362 WeakPolarHBondContact O-CB 3.45Å; W344-C362 PolarHBondContact O-SG 2.92Å; S345-C362 PolarHBondContact O-N 3.25Å; C362-W365 HydrophobicContact CB-CH2 3.93Å; C362-W365 HydrophobicContact CB-CZ2 4.23Å; C362-W365 HydrophobicContact CB-CZ3 4.25Å |
| 363 | S | 86.6 | Confident | 93.7 | Very high | 87 Ų | 87 | 26.9 Ų | 26.9 | 61% | 0.608 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -27.6 | -179.5 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | S361 | S361-S363 PolarHBondContact O-N 3.1Å; S361-S363 PolarHBondContact OG-N 2.78Å; S361-S363 PolarHBondContact OG-OG 2.78Å |
| 364 | D | 88.7 | Confident | 94.1 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 43% | 0.428 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 1.5 | -176 | 47.6 | 34.2 | 0 | 0 | 0 | 112.9 | S361 S366 K447 | S361-D364 WeakPolarHBondContact CB-OD1 3.49Å; S361-D364 VanDerWaalsContact OG-CG 3.3Å; S361-D364 PolarHBondContact OG-OD1 3.44Å; D364-S366 PolarHBondContact O-N 2.87Å; D364-S366 VanDerWaalsContact O-N 3.16Å; D364-S366 WeakPolarHBondContact OD1-CB 3.48Å; D364-S366 PolarHBondContact OD1-N 3.48Å; D364-S366 PolarHBondContact OD1-OG 2.79Å; D364-K447 IonicContact OD2-NZ 3.2Å; D364-K447 PolarHBondContact OD2-NZ 2.99Å; D364-K447 VanDerWaalsContact OD2-NZ 3.14Å |
| 365 | W | 91.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 22% | 0.216 | 15% | 0.153 | C | C | . | . | trans | 53.1 | 27.5 | -175.7 | -57.1 | 101.5 | 0 | 0 | 0 | 114 | I297 H316 F318 L347 W360 S361 C362 | I297-W365 HydrophobicContact CB-CH2 4.44Å; I297-W365 HydrophobicContact CD1-CH2 4.02Å; I297-W365 HydrophobicContact CD1-CZ3 4.34Å; I297-W365 HydrophobicContact CG1-CH2 3.67Å; I297-W365 HydrophobicContact CG1-CZ2 4.27Å; I297-W365 HydrophobicContact CG1-CZ3 4.18Å; I297-W365 HydrophobicContact CG2-CH2 4.21Å; I297-W365 HydrophobicContact CG2-CZ2 4.43Å; H316-W365 HydrophobicContact CB-CZ2 4.22Å; H316-W365 AromaticContact CE1-CD1 3.68Å; H316-W365 AromaticContact CE1-CD2 3.36Å; H316-W365 AromaticContact CE1-CE2 3.84Å; H316-W365 AromaticContact CE1-CE3 3.84Å; H316-W365 AromaticContact CE1-CG 3.3Å; H316-W365 AromaticContact CE1-NE1 3.97Å; H316-W365 AromaticContact CG-CE2 3.83Å; H316-W365 AromaticContact CG-NE1 3.82Å; H316-W365 AromaticContact ND1-CD1 3.85Å; H316-W365 AromaticContact ND1-CD2 3.24Å; H316-W365 AromaticContact ND1-CE2 3.29Å; H316-W365 VanDerWaalsContact ND1-CE2 3.29Å; H316-W365 AromaticContact ND1-CE3 3.64Å; H316-W365 AromaticContact ND1-CG 3.65Å; H316-W365 AromaticContact ND1-CZ2 3.78Å; H316-W365 AromaticContact ND1-NE1 3.64Å; H316-W365 AromaticContact NE2-CD1 3.94Å; H316-W365 AromaticContact NE2-CG 3.91Å; F318-W365 AromaticContact CE1-CE3 3.97Å; F318-W365 HydrophobicContact CE1-CE3 3.97Å; F318-W365 HydrophobicContact CE1-CZ3 4.02Å; F318-W365 AromaticContact CZ-CE3 3.89Å; F318-W365 HydrophobicContact CZ-CE3 3.89Å; F318-W365 HydrophobicContact CZ-CZ3 4.12Å; L347-W365 HydrophobicContact CD2-CZ3 4Å; W360-W365 VanDerWaalsContact CE3-O 3.31Å; W360-W365 WeakPolarHBondContact CZ3-O 3.49Å; S361-W365 WeakPolarHBondContact O-CA 3.18Å; S361-W365 PolarHBondContact O-N 2.76Å; C362-W365 HydrophobicContact CB-CH2 3.93Å; C362-W365 HydrophobicContact CB-CZ2 4.23Å; C362-W365 HydrophobicContact CB-CZ3 4.25Å | ||
| 366 | S | 92.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | trans | -77.1 | 140.6 | 173.6 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | W360 S361 D364 L368 | W360-S366 VanDerWaalsContact CA-O 3.28Å; W360-S366 WeakPolarHBondContact CA-O 3.32Å; S361-S366 PolarHBondContact N-O 2.91Å; D364-S366 PolarHBondContact O-N 2.87Å; D364-S366 VanDerWaalsContact O-N 3.16Å; D364-S366 WeakPolarHBondContact OD1-CB 3.48Å; D364-S366 PolarHBondContact OD1-N 3.48Å; D364-S366 PolarHBondContact OD1-OG 2.79Å; S366-L368 PolarHBondContact O-N 3.17Å | ||
| 367 | C | 94.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 35.7 Ų | 35.7 | 28% | 0.284 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.9 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | L359 W360 | L359-C367 CarbonylContact O-C 3.59Å; W360-C367 HydrophobicContact CD2-CB 4.27Å; W360-C367 HydrophobicContact CE3-CB 3.82Å; W360-C367 HydrophobicContact CH2-CB 3.9Å; W360-C367 HydrophobicContact CZ2-CB 4.33Å; W360-C367 HydrophobicContact CZ3-CB 3.63Å |
| 368 | L | 94.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -40.7 | -176.9 | -57.4 | -179.5 | 0 | 0 | 0 | 111.8 | Y346 L359 S366 L536 | Y346-L368 HydrophobicContact CD1-CD1 3.88Å; Y346-L368 HydrophobicContact CE1-CD1 3.96Å; L359-L368 HydrophobicContact CD2-CB 4.47Å; L359-L368 HydrophobicContact CG-CB 4.3Å; L359-L368 HydrophobicContact CG-CD1 4.4Å; L359-L368 PolarHBondContact O-N 2.71Å; S366-L368 PolarHBondContact O-N 3.17Å; L368-L536 HydrophobicContact CB-CD2 4.27Å; L368-L536 HydrophobicContact CD2-CD2 4.26Å |
| 369 | Q | 96.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 146.6 | -174.4 | -163 | 169.3 | 36.8 | 0 | 0 | 111.9 | I20 S22 S23 R358 L359 F452 | I20-Q369 VanDerWaalsContact CG2-NE2 3.3Å; S22-Q369 PolarHBondContact O-NE2 2.88Å; S23-Q369 CarbonylContact O-C 3.5Å; S23-Q369 VanDerWaalsContact O-CA 3.3Å; S23-Q369 WeakPolarHBondContact O-CA 3.2Å; R358-Q369 WeakPolarHBondContact CA-O 3.3Å; L359-Q369 HydrophobicContact CB-CB 4.21Å; L359-Q369 HydrophobicContact CD2-CB 4.41Å; L359-Q369 PolarHBondContact N-O 3.18Å; L359-Q369 PolarHBondContact O-N 3.21Å; Q369-F452 PolarHBondContact NE2-O 3.39Å; Q369-F452 VanDerWaalsContact NE2-O 3.11Å |
| 370 | V | 97.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | S23 H24 V25 E356 L357 R358 | S23-V370 PolarHBondContact O-N 2.89Å; H24-V370 WeakPolarHBondContact CA-O 3.46Å; V25-V370 PolarHBondContact N-O 3.21Å; E356-V370 HydrophobicContact CG-CG1 4.03Å; L357-V370 WeakPolarHBondContact O-CA 2.89Å; R358-V370 HydrophobicContact CG-CG1 4.15Å; R358-V370 HydrophobicContact CG-CG2 4.18Å |
| 371 | I | 97.6 | Very high | 85.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.6 | 179.3 | -57.3 | -177.5 | 0 | 0 | 0 | 108.8 | V25 V27 L357 F373 L419 F452 | V25-I371 HydrophobicContact CB-CG1 4.4Å; V27-I371 HydrophobicContact CG2-CG2 3.91Å; L357-I371 PolarHBondContact N-O 2.72Å; L357-I371 PolarHBondContact O-N 2.89Å; I371-F373 HydrophobicContact CG2-CE2 4.22Å; I371-F373 HydrophobicContact CG2-CZ 4.42Å; I371-L419 HydrophobicContact CD1-CD2 3.52Å; I371-L419 HydrophobicContact CG2-CD2 4.48Å; I371-F452 HydrophobicContact CD1-CB 4.09Å; I371-F452 HydrophobicContact CD1-CD2 3.59Å; I371-F452 HydrophobicContact CD1-CE2 4.26Å; I371-F452 HydrophobicContact CD1-CG 3.98Å |
| 372 | Q | 96.6 | Very high | 84.9 | Confident | 46 Ų | 46 | 44 Ų | 44 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | -176.5 | -166.9 | 176.5 | 28.5 | 0 | 0 | 111.4 | V25 R26 V27 R355 C374 | V25-Q372 PolarHBondContact O-N 3.44Å; R26-Q372 CarbonylContact C-O 3.55Å; R26-Q372 WeakPolarHBondContact CA-O 3.46Å; V27-Q372 PolarHBondContact N-O 3.13Å; R355-Q372 CarbonylContact O-C 3.57Å; R355-Q372 VanDerWaalsContact O-CA 3.29Å; R355-Q372 WeakPolarHBondContact O-CA 3.47Å; Q372-C374 PolarHBondContact O-N 3.36Å |
| 373 | F | 95.5 | Very high | 83.8 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 96.1 | 178.6 | -70 | -86 | 0 | 0 | 0 | 110.7 | V27 R355 L357 I371 S375 I395 Y417 I455 | V27-F373 HydrophobicContact CB-CD1 3.96Å; V27-F373 HydrophobicContact CB-CE1 4.21Å; V27-F373 HydrophobicContact CG1-CD1 4Å; V27-F373 HydrophobicContact CG1-CE1 4.05Å; V27-F373 HydrophobicContact CG2-CE1 4.46Å; V27-F373 CarbonylContact O-C 3.58Å; R355-F373 PolarHBondContact O-N 3.39Å; L357-F373 HydrophobicContact CD1-CE2 3.95Å; L357-F373 HydrophobicContact CG-CE2 4.32Å; I371-F373 HydrophobicContact CG2-CE2 4.22Å; I371-F373 HydrophobicContact CG2-CZ 4.42Å; F373-S375 PolarHBondContact O-N 3.34Å; F373-I395 HydrophobicContact CB-CD1 3.53Å; F373-I395 HydrophobicContact CD1-CD1 4.08Å; F373-I395 HydrophobicContact CD2-CD1 3.5Å; F373-I395 VanDerWaalsContact CD2-CD1 3.5Å; F373-I395 HydrophobicContact CE2-CD1 4.2Å; F373-I395 HydrophobicContact CG-CD1 3.42Å; F373-I395 VanDerWaalsContact CG-CD1 3.42Å; F373-Y417 HydrophobicContact CD1-CD2 4.32Å; F373-Y417 HydrophobicContact CD1-CE2 4.15Å; F373-Y417 AromaticContact CE1-CD2 3.69Å; F373-Y417 HydrophobicContact CE1-CD2 3.69Å; F373-Y417 AromaticContact CE1-CE2 3.97Å; F373-Y417 HydrophobicContact CE1-CE2 3.97Å; F373-Y417 HydrophobicContact CE1-CG 4.05Å; F373-I455 HydrophobicContact CE1-CD1 4.37Å |
| 374 | C | 92.6 | Very high | 83.1 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | trans | -80.9 | 58.2 | -174.8 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | V27 Y28 Q372 | V27-C374 PolarHBondContact O-N 3.12Å; Y28-C374 HydrophobicContact CD1-CB 3.62Å; Y28-C374 HydrophobicContact CD2-CB 4.36Å; Y28-C374 HydrophobicContact CE1-CB 3.41Å; Y28-C374 VanDerWaalsContact CE1-CB 3.41Å; Y28-C374 HydrophobicContact CE2-CB 4.18Å; Y28-C374 HydrophobicContact CG-CB 4.1Å; Q372-C374 PolarHBondContact O-N 3.36Å | ||
| 375 | S | 83.1 | Confident | 82.1 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 127.6 | 174.5 | 163.8 | 0 | 0 | 0 | 0 | 111 | R355 F373 I377 R413 | R355-S375 PolarHBondContact NH1-O 2.95Å; R355-S375 PolarHBondContact NH2-OG 3.09Å; F373-S375 PolarHBondContact O-N 3.34Å; S375-I377 PolarHBondContact O-N 3.13Å; S375-R413 PolarHBondContact OG-NE 3.45Å; S375-R413 PolarHBondContact OG-NH2 3.13Å |
| 376 | V | 70.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 43 Ų | 43 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 127.3 | 160.5 | -179.4 | 0 | 0 | 0 | 0 | 108 | R413 | V376-R413 PolarHBondContact O-NH2 3.02Š|
| 377 | I | 69.7 | Low | 79.5 | Confident | 82 Ų | 82 | 45 Ų | 45 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 130.4 | 175.8 | -63.1 | 176.4 | 0 | 0 | 0 | 108.2 | S375 L383 L390 | S375-I377 PolarHBondContact O-N 3.13Å; I377-L383 HydrophobicContact CG2-CD1 4Å; I377-L390 HydrophobicContact CG2-CD1 3.63Å; I377-L390 HydrophobicContact CG2-CD2 3.87Å; I377-L390 HydrophobicContact CG2-CG 4.41Å |
| 378 | P | 66.1 | Low | 77.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 13% | 0.13 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 160.4 | -178.2 | -23.1 | 32.8 | 0 | 0 | 0 | 113.7 | L35 L382 L383 | L35-P378 HydrophobicContact CD1-CG 4.05Å; P378-L382 HydrophobicContact CB-CD2 4.19Å; P378-L383 HydrophobicContact CB-CD2 4.03Å; P378-L383 HydrophobicContact CB-CG 4.18Å; P378-L383 HydrophobicContact CG-CD2 4.11Å; P378-L383 WeakPolarHBondContact O-CD1 3.41Å |
| 379 | S | 68.5 | Low | 76.2 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.4 | 178.7 | 74.3 | 0 | 0 | 0 | 0 | 111.2 | D381 L382 L383 | S379-D381 PolarHBondContact O-N 3.21Å; S379-D381 VanDerWaalsContact O-N 3.13Å; S379-L382 WeakPolarHBondContact O-CB 3.44Å; S379-L382 PolarHBondContact O-N 3.43Å; S379-L383 PolarHBondContact O-N 3.48Å |
| 380 | T | 70.3 | Confident | 74.2 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.1 | -19.4 | -169.2 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | K384 L862 | T380-K384 WeakPolarHBondContact O-CB 3.45Å; T380-K384 WeakPolarHBondContact O-CE 3.29Å; T380-K384 WeakPolarHBondContact O-CG 3.31Å; T380-K384 PolarHBondContact O-N 2.93Å; T380-L862 HydrophobicContact CG2-CB 3.82Å; T380-L862 HydrophobicContact CG2-CD1 3.77Å; T380-L862 HydrophobicContact CG2-CD2 4.25Å; T380-L862 HydrophobicContact CG2-CG 4.14Å; T380-L862 WeakPolarHBondContact OG1-CB 3.48Å |
| 381 | D | 69.5 | Low | 72 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -84.4 | -28 | 174.4 | -57.2 | -63 | 0 | 0 | 0 | 112.6 | S379 K384 S385 | S379-D381 PolarHBondContact O-N 3.21Å; S379-D381 VanDerWaalsContact O-N 3.13Å; D381-K384 WeakPolarHBondContact OD1-CE 3.48Å; D381-K384 IonicContact OD1-NZ 2.84Å; D381-K384 PolarHBondContact OD1-NZ 2.75Å; D381-S385 WeakPolarHBondContact O-CB 3.33Å; D381-S385 PolarHBondContact O-N 3.16Å; D381-S385 PolarHBondContact O-OG 3.17Å; D381-S385 VanDerWaalsContact O-OG 3.1Å |
| 382 | L | 70.2 | Confident | 70.6 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 166.6 | -172.6 | 62.2 | 0 | 0 | 0 | 110.7 | L35 D36 P378 S379 S385 L386 | L35-L382 HydrophobicContact CB-CD2 3.99Å; D36-L382 HydrophobicContact CB-CD2 4.12Å; P378-L382 HydrophobicContact CB-CD2 4.19Å; S379-L382 WeakPolarHBondContact O-CB 3.44Å; S379-L382 PolarHBondContact O-N 3.43Å; L382-S385 PolarHBondContact O-N 3.08Å; L382-S385 PolarHBondContact O-OG 3.05Å; L382-S385 VanDerWaalsContact O-OG 3.05Å; L382-L386 HydrophobicContact CD1-CD1 4.39Å; L382-L386 HydrophobicContact CG-CD1 4.31Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 3.48Å |
| 383 | L | 68.9 | Low | 69.5 | Low | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 175.1 | -63.1 | 175.9 | 0 | 0 | 0 | 111.8 | I377 P378 S379 L386 N387 I388 L390 T412 | I377-L383 HydrophobicContact CG2-CD1 4Å; P378-L383 HydrophobicContact CB-CD2 4.03Å; P378-L383 HydrophobicContact CB-CG 4.18Å; P378-L383 HydrophobicContact CG-CD2 4.11Å; P378-L383 WeakPolarHBondContact O-CD1 3.41Å; S379-L383 PolarHBondContact O-N 3.48Å; L383-L386 CarbonylContact O-C 3.58Å; L383-L386 PolarHBondContact O-N 2.94Å; L383-N387 PolarHBondContact O-N 2.83Å; L383-N387 VanDerWaalsContact O-N 3.1Å; L383-I388 HydrophobicContact CB-CB 4.26Å; L383-I388 HydrophobicContact CD2-CB 4.05Å; L383-I388 HydrophobicContact CD2-CD1 3.95Å; L383-I388 HydrophobicContact CD2-CG1 4.46Å; L383-I388 HydrophobicContact CD2-CG2 4.19Å; L383-I388 PolarHBondContact O-N 3.13Å; L383-L390 HydrophobicContact CD1-CD1 3.59Å; L383-L390 HydrophobicContact CD1-CD2 4.02Å; L383-L390 HydrophobicContact CD1-CG 3.81Å; L383-T412 HydrophobicContact CD2-CG2 4.23Å |
| 384 | K | 71.5 | Confident | 68.8 | Low | 67 Ų | 67 | 51.6 Ų | 51.6 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 172 | -73.9 | 166.8 | -142.4 | 170.3 | 0 | 112.4 | T380 D381 L386 N387 A860 | T380-K384 WeakPolarHBondContact O-CB 3.45Å; T380-K384 WeakPolarHBondContact O-CE 3.29Å; T380-K384 WeakPolarHBondContact O-CG 3.31Å; T380-K384 PolarHBondContact O-N 2.93Å; D381-K384 WeakPolarHBondContact OD1-CE 3.48Å; D381-K384 IonicContact OD1-NZ 2.84Å; D381-K384 PolarHBondContact OD1-NZ 2.75Å; K384-L386 PolarHBondContact O-N 3.19Å; K384-N387 PolarHBondContact O-N 3.35Å; K384-N387 PolarHBondContact O-OD1 2.91Å; K384-A860 HydrophobicContact CD-CB 4.02Å |
| 385 | S | 67.1 | Low | 68.7 | Low | 87 Ų | 87 | 50 Ų | 50 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.6 | -18.5 | -178.6 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | D381 L382 | D381-S385 WeakPolarHBondContact O-CB 3.33Å; D381-S385 PolarHBondContact O-N 3.16Å; D381-S385 PolarHBondContact O-OG 3.17Å; D381-S385 VanDerWaalsContact O-OG 3.1Å; L382-S385 PolarHBondContact O-N 3.08Å; L382-S385 PolarHBondContact O-OG 3.05Å; L382-S385 VanDerWaalsContact O-OG 3.05Å |
| 386 | L | 64.5 | Low | 69.2 | Low | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.1 | 171 | -65.6 | 170.9 | 0 | 0 | 0 | 113.6 | L35 Y58 L382 L383 K384 I388 | L35-L386 HydrophobicContact CD1-CD1 3.72Å; Y58-L386 WeakPolarHBondContact CD2-O 3.37Å; Y58-L386 HydrophobicContact CE2-CB 4.49Å; Y58-L386 VanDerWaalsContact CE2-O 3.31Å; Y58-L386 WeakPolarHBondContact CE2-O 3.47Å; L382-L386 HydrophobicContact CD1-CD1 4.39Å; L382-L386 HydrophobicContact CG-CD1 4.31Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 3.48Å; L383-L386 CarbonylContact O-C 3.58Å; L383-L386 PolarHBondContact O-N 2.94Å; K384-L386 PolarHBondContact O-N 3.19Å; L386-I388 VanDerWaalsContact C-N 3.26Å; L386-I388 HydrophobicContact CB-CD1 3.82Å; L386-I388 HydrophobicContact CB-CG1 3.69Å; L386-I388 HydrophobicContact CD1-CD1 4.13Å; L386-I388 PolarHBondContact O-N 2.69Å |
| 387 | N | 64.1 | Low | 70.3 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.1 | -174.3 | -67.8 | -27.1 | 0 | 0 | 0 | 115.3 | Y58 L383 K384 | Y58-N387 WeakPolarHBondContact CB-O 3.26Å; L383-N387 PolarHBondContact O-N 2.83Å; L383-N387 VanDerWaalsContact O-N 3.1Å; K384-N387 PolarHBondContact O-N 3.35Å; K384-N387 PolarHBondContact O-OD1 2.91Å |
| 388 | I | 61.5 | Low | 71.5 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | trans | -86.3 | 118.3 | -179.6 | -46.8 | -175 | 0 | 0 | 0 | 110.1 | L35 Y58 L383 L386 V411 | L35-I388 HydrophobicContact CD1-CD1 4.37Å; Y58-I388 HydrophobicContact CD1-CB 4.38Å; Y58-I388 HydrophobicContact CD1-CD1 4.03Å; Y58-I388 HydrophobicContact CD1-CG1 3.6Å; Y58-I388 HydrophobicContact CD1-CG2 4.34Å; Y58-I388 HydrophobicContact CD2-CG1 4.11Å; Y58-I388 HydrophobicContact CE1-CD1 3.52Å; Y58-I388 HydrophobicContact CE1-CG1 3.62Å; Y58-I388 HydrophobicContact CE2-CD1 4.4Å; Y58-I388 HydrophobicContact CE2-CG1 4.14Å; Y58-I388 HydrophobicContact CG-CG1 3.84Å; L383-I388 HydrophobicContact CB-CB 4.26Å; L383-I388 HydrophobicContact CD2-CB 4.05Å; L383-I388 HydrophobicContact CD2-CD1 3.95Å; L383-I388 HydrophobicContact CD2-CG1 4.46Å; L383-I388 HydrophobicContact CD2-CG2 4.19Å; L383-I388 PolarHBondContact O-N 3.13Å; L386-I388 VanDerWaalsContact C-N 3.26Å; L386-I388 HydrophobicContact CB-CD1 3.82Å; L386-I388 HydrophobicContact CB-CG1 3.69Å; L386-I388 HydrophobicContact CD1-CD1 4.13Å; L386-I388 PolarHBondContact O-N 2.69Å; I388-V411 HydrophobicContact CG2-CG2 4.37Å | ||
| 389 | S | 59.1 | Low | 72.8 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | trans | -95.7 | 129.6 | 167.6 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | S391 | S389-S391 VanDerWaalsContact C-N 3.27Å; S389-S391 PolarHBondContact O-N 2.99Å; S389-S391 PolarHBondContact OG-N 2.69Å; S389-S391 PolarHBondContact OG-OG 3.48Å | ||
| 390 | L | 53.9 | Low | 73.9 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -78.2 | -3.9 | 174.2 | -67.6 | 169.1 | 0 | 0 | 0 | 113.9 | I377 L383 K392 T412 | I377-L390 HydrophobicContact CG2-CD1 3.63Å; I377-L390 HydrophobicContact CG2-CD2 3.87Å; I377-L390 HydrophobicContact CG2-CG 4.41Å; L383-L390 HydrophobicContact CD1-CD1 3.59Å; L383-L390 HydrophobicContact CD1-CD2 4.02Å; L383-L390 HydrophobicContact CD1-CG 3.81Å; L390-K392 PolarHBondContact O-N 3.03Å; L390-T412 HydrophobicContact CD2-CG2 4.15Å |
| 391 | S | 51.6 | Low | 74.8 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 57% | 0.573 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -71.8 | 16.3 | 178.9 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | S389 | S389-S391 VanDerWaalsContact C-N 3.27Å; S389-S391 PolarHBondContact O-N 2.99Å; S389-S391 PolarHBondContact OG-N 2.69Å; S389-S391 PolarHBondContact OG-OG 3.48Å |
| 392 | K | 67.3 | Low | 75.7 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -143.9 | 174.8 | -165 | -60.7 | -176.5 | 174.9 | -168.6 | 0 | 108.4 | Q59 V62 D171 S353 L390 S394 | Q59-K392 PolarHBondContact O-NZ 3.33Å; V62-K392 HydrophobicContact CB-CD 4.22Å; V62-K392 HydrophobicContact CG1-CB 4.4Å; V62-K392 HydrophobicContact CG1-CD 3.81Å; V62-K392 HydrophobicContact CG1-CG 4.01Å; V62-K392 HydrophobicContact CG2-CD 3.79Å; D171-K392 WeakPolarHBondContact OD2-CE 3.41Å; D171-K392 IonicContact OD2-NZ 2.66Å; D171-K392 PolarHBondContact OD2-NZ 2.79Å; S353-K392 WeakPolarHBondContact CB-O 3.42Å; S353-K392 PolarHBondContact OG-O 3.03Å; L390-K392 PolarHBondContact O-N 3.03Å; K392-S394 PolarHBondContact O-N 3.09Å |
| 393 | S | 73.2 | Confident | 76.6 | Confident | 28 Ų | 28 | 38 Ų | 38 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | trans | -66.2 | 135.9 | 175.5 | -162.3 | 0 | 0 | 0 | 0 | 111 | S353 N354 I395 | S353-S393 PolarHBondContact O-OG 3.13Å; N354-S393 WeakPolarHBondContact CB-OG 3.45Å; N354-S393 PolarHBondContact ND2-OG 3.16Å; N354-S393 VanDerWaalsContact ND2-OG 3.07Å; S393-I395 PolarHBondContact OG-O 3.21Å | ||
| 394 | S | 81.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -93.6 | -30.8 | 174.8 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | S353 R355 K392 D410 V411 | S353-S394 PolarHBondContact O-N 2.99Å; S353-S394 PolarHBondContact O-OG 2.95Å; R355-S394 WeakPolarHBondContact CD-OG 3.5Å; R355-S394 PolarHBondContact NE-OG 3.27Å; K392-S394 PolarHBondContact O-N 3.09Å; S394-D410 CarbonylContact O-C 3.5Å; S394-D410 WeakPolarHBondContact O-CA 3.34Å; S394-V411 PolarHBondContact O-N 3.32Å |
| 395 | I | 91 | Very high | 78.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.9 | 174.8 | -59.8 | -174.6 | 0 | 0 | 0 | 109.7 | S353 N354 R355 F373 S393 L397 A408 T409 D410 | S353-I395 PolarHBondContact O-N 3.5Å; N354-I395 HydrophobicContact CB-CB 3.83Å; N354-I395 HydrophobicContact CB-CG2 4.42Å; N354-I395 VanDerWaalsContact CB-O 3.29Å; N354-I395 WeakPolarHBondContact CB-O 3.31Å; N354-I395 PolarHBondContact ND2-O 2.92Å; R355-I395 HydrophobicContact CG-CD1 3.95Å; R355-I395 HydrophobicContact CG-CG1 4.24Å; F373-I395 HydrophobicContact CB-CD1 3.53Å; F373-I395 HydrophobicContact CD1-CD1 4.08Å; F373-I395 HydrophobicContact CD2-CD1 3.5Å; F373-I395 VanDerWaalsContact CD2-CD1 3.5Å; F373-I395 HydrophobicContact CE2-CD1 4.2Å; F373-I395 HydrophobicContact CG-CD1 3.42Å; F373-I395 VanDerWaalsContact CG-CD1 3.42Å; S393-I395 PolarHBondContact OG-O 3.21Å; I395-L397 HydrophobicContact CG2-CD2 3.73Å; I395-L397 HydrophobicContact CG2-CG 4.49Å; I395-A408 HydrophobicContact CG2-CB 4Å; I395-T409 CarbonylContact C-O 3.58Å; I395-T409 VanDerWaalsContact CA-O 3.25Å; I395-T409 WeakPolarHBondContact CA-O 3.34Å; I395-D410 HydrophobicContact CG1-CB 4.03Å |
| 396 | I | 92.1 | Very high | 80.2 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.1 | -179.2 | -60.9 | 172.1 | 0 | 0 | 0 | 107.6 | A408 T409 V411 L465 L466 F467 | I396-A408 CarbonylContact O-C 3.51Å; I396-A408 VanDerWaalsContact O-CA 3.27Å; I396-A408 WeakPolarHBondContact O-CA 3.28Å; I396-T409 HydrophobicContact CB-CG2 4.04Å; I396-T409 PolarHBondContact N-O 3.37Å; I396-T409 PolarHBondContact O-N 3.45Å; I396-V411 HydrophobicContact CD1-CG1 3.49Å; I396-V411 VanDerWaalsContact CD1-CG1 3.49Å; I396-V411 HydrophobicContact CG1-CG1 4.12Å; I396-L465 WeakPolarHBondContact CD1-O 3.43Å; I396-L466 HydrophobicContact CD1-CD2 4.23Å; I396-L466 HydrophobicContact CG2-CD2 4.46Å; I396-F467 HydrophobicContact CB-CE1 4.38Å; I396-F467 HydrophobicContact CG2-CD1 4.24Å; I396-F467 HydrophobicContact CG2-CE1 3.93Å |
| 397 | L | 94.4 | Very high | 81.7 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.3 | -168 | -58.4 | -178.9 | 0 | 0 | 0 | 111.1 | A328 I330 L348 L357 I395 L406 V407 A408 | A328-L397 HydrophobicContact CB-CD1 3.73Å; I330-L397 HydrophobicContact CD1-CB 4.42Å; L348-L397 HydrophobicContact CD2-CD1 4.41Å; L357-L397 HydrophobicContact CD1-CD1 4.15Å; L357-L397 HydrophobicContact CD1-CD2 4.21Å; L357-L397 HydrophobicContact CD2-CD1 3.86Å; I395-L397 HydrophobicContact CG2-CD2 3.73Å; I395-L397 HydrophobicContact CG2-CG 4.49Å; L397-L406 HydrophobicContact CB-CD1 4.15Å; L397-L406 HydrophobicContact CD2-CD1 4.29Å; L397-V407 WeakPolarHBondContact CA-O 3.32Å; L397-A408 HydrophobicContact CD2-CB 3.46Å; L397-A408 VanDerWaalsContact CD2-CB 3.46Å |
| 398 | A | 94.1 | Very high | 83.2 | Confident | 26 Ų | 26 | 25.5 Ų | 25.5 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V407 F467 L469 | A398-V407 PolarHBondContact N-O 3.35Å; A398-V407 PolarHBondContact O-N 3.07Å; A398-F467 HydrophobicContact CB-CE2 3.64Å; A398-F467 HydrophobicContact CB-CZ 3.89Å; A398-L469 HydrophobicContact CB-CD1 3.85Å; A398-L469 HydrophobicContact CB-CG 4.13Å |
| 399 | V | 94 | Very high | 84.8 | Confident | 37 Ų | 37 | 24.8 Ų | 24.8 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140.6 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | I330 L332 A403 F405 L406 | I330-V399 HydrophobicContact CD1-CG2 4.07Å; I330-V399 HydrophobicContact CG2-CG2 4.06Å; L332-V399 HydrophobicContact CD2-CG1 4.36Å; L332-V399 HydrophobicContact CD2-CG2 3.87Å; V399-A403 HydrophobicContact CG1-CB 4.26Å; V399-F405 WeakPolarHBondContact CA-O 3.49Å; V399-L406 HydrophobicContact CG2-CB 4.45Å; V399-L406 HydrophobicContact CG2-CD1 3.64Å |
| 400 | D | 92.6 | Very high | 86.3 | Confident | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | trans | -71 | 157 | 175.7 | 99.5 | -82.9 | 0 | 0 | 0 | 111.5 | S402 A403 S404 F405 L469 S472 | D400-S402 PolarHBondContact O-N 3.26Å; D400-S402 PolarHBondContact OD1-OG 3Å; D400-S402 VanDerWaalsContact OD2-CB 3.32Å; D400-S402 WeakPolarHBondContact OD2-CB 3.37Å; D400-S402 PolarHBondContact OD2-N 3.23Å; D400-S402 PolarHBondContact OD2-OG 2.97Å; D400-A403 PolarHBondContact O-N 3.37Å; D400-S404 PolarHBondContact OD1-N 3.2Å; D400-F405 HydrophobicContact CB-CB 4.4Å; D400-F405 PolarHBondContact N-O 3.4Å; D400-F405 PolarHBondContact OD1-N 3.44Å; D400-L469 HydrophobicContact CB-CD1 4.42Å; D400-S472 WeakPolarHBondContact OD2-CB 3.21Å; D400-S472 PolarHBondContact OD2-OG 3.05Å | ||
| 401 | R | 88.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 19.6 Ų | 19.6 | 23% | 0.226 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.1 | -174.6 | -65.5 | -166.8 | -63.7 | -76.8 | 5.4 | 114.5 | V335 L336 A403 G470 | V335-R401 WeakPolarHBondContact CB-O 3.25Å; V335-R401 PolarHBondContact N-O 2.72Å; L336-R401 HydrophobicContact CD1-CB 4.4Å; L336-R401 HydrophobicContact CD2-CB 3.93Å; L336-R401 HydrophobicContact CG-CB 4.07Å; R401-A403 VanDerWaalsContact C-N 3.31Å; R401-G470 PolarHBondContact NH1-O 3.42Å |
| 402 | S | 87.5 | Confident | 89.6 | Confident | 18 Ų | 18 | 15.8 Ų | 15.8 | 13% | 0.126 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7.7 | 174.5 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | N334 D400 S404 | N334-S402 PolarHBondContact ND2-O 3.13Å; N334-S402 VanDerWaalsContact ND2-O 3.08Å; D400-S402 PolarHBondContact O-N 3.26Å; D400-S402 PolarHBondContact OD1-OG 3Å; D400-S402 VanDerWaalsContact OD2-CB 3.32Å; D400-S402 WeakPolarHBondContact OD2-CB 3.37Å; D400-S402 PolarHBondContact OD2-N 3.23Å; D400-S402 PolarHBondContact OD2-OG 2.97Å; S402-S404 PolarHBondContact O-N 3.5Å; S402-S404 VanDerWaalsContact OG-CB 3.23Å; S402-S404 WeakPolarHBondContact OG-CB 3.19Å; S402-S404 PolarHBondContact OG-N 3.08Å; S402-S404 PolarHBondContact OG-OG 2.88Å |
| 403 | A | 89.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 52.2 | 31.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V399 D400 R401 L421 | V399-A403 HydrophobicContact CG1-CB 4.26Å; D400-A403 PolarHBondContact O-N 3.37Å; R401-A403 VanDerWaalsContact C-N 3.31Å; A403-L421 VanDerWaalsContact O-CD2 3.24Å; A403-L421 WeakPolarHBondContact O-CD2 3.26Å |
| 404 | S | 91.2 | Very high | 91.7 | Very high | 32 Ų | 32 | 15.2 Ų | 15.2 | 22% | 0.224 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -91.6 | -21.7 | 173.5 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | D400 S402 E420 L421 | D400-S404 PolarHBondContact OD1-N 3.2Å; S402-S404 PolarHBondContact O-N 3.5Å; S402-S404 VanDerWaalsContact OG-CB 3.23Å; S402-S404 WeakPolarHBondContact OG-CB 3.19Å; S402-S404 PolarHBondContact OG-N 3.08Å; S402-S404 PolarHBondContact OG-OG 2.88Å; S404-E420 WeakPolarHBondContact O-CA 3.2Å; S404-L421 PolarHBondContact O-N 2.87Å |
| 405 | F | 95 | Very high | 92.3 | Very high | 5 Ų | 5 | 15 Ų | 15 | 2% | 0.022 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 126.4 | -175.6 | -66.7 | -73.7 | 0 | 0 | 0 | 112.7 | V399 D400 L419 E420 R474 I499 L501 F518 L520 | V399-F405 WeakPolarHBondContact CA-O 3.49Å; D400-F405 HydrophobicContact CB-CB 4.4Å; D400-F405 PolarHBondContact N-O 3.4Å; D400-F405 PolarHBondContact OD1-N 3.44Å; F405-L419 WeakPolarHBondContact CA-O 3.47Å; F405-E420 HydrophobicContact CD1-CB 4.36Å; F405-E420 HydrophobicContact CE1-CB 3.92Å; F405-E420 HydrophobicContact CE1-CG 4.13Å; F405-R474 VanDerWaalsContact CZ-NH2 3.29Å; F405-I499 HydrophobicContact CD2-CG2 4.42Å; F405-I499 HydrophobicContact CE2-CD1 4.06Å; F405-I499 HydrophobicContact CE2-CG1 4.36Å; F405-I499 HydrophobicContact CE2-CG2 3.72Å; F405-I499 HydrophobicContact CZ-CB 4.41Å; F405-I499 HydrophobicContact CZ-CD1 3.68Å; F405-I499 HydrophobicContact CZ-CG1 3.74Å; F405-I499 HydrophobicContact CZ-CG2 3.77Å; F405-L501 HydrophobicContact CD2-CD2 4.19Å; F405-F518 HydrophobicContact CE1-CE2 4.39Å; F405-F518 HydrophobicContact CE1-CZ 4.14Å; F405-L520 HydrophobicContact CE1-CD1 3.93Å; F405-L520 HydrophobicContact CZ-CD1 3.89Å |
| 406 | L | 97 | Very high | 92.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.9 | 158.9 | 173.5 | 69.4 | 0 | 0 | 0 | 108.1 | L348 L357 L397 V399 L419 F452 | L348-L406 HydrophobicContact CD2-CD1 4.01Å; L348-L406 HydrophobicContact CD2-CD2 3.79Å; L357-L406 HydrophobicContact CD1-CD2 4.05Å; L397-L406 HydrophobicContact CB-CD1 4.15Å; L397-L406 HydrophobicContact CD2-CD1 4.29Å; V399-L406 HydrophobicContact CG2-CB 4.45Å; V399-L406 HydrophobicContact CG2-CD1 3.64Å; L406-L419 HydrophobicContact CB-CB 4.33Å; L406-L419 HydrophobicContact CD2-CD1 4.49Å; L406-L419 PolarHBondContact N-O 3.33Å; L406-L419 PolarHBondContact O-N 2.95Å; L406-F452 HydrophobicContact CB-CE1 3.7Å; L406-F452 HydrophobicContact CB-CZ 4.15Å; L406-F452 HydrophobicContact CD2-CE1 4.06Å; L406-F452 HydrophobicContact CD2-CZ 3.78Å |
| 407 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.9 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L397 A398 L416 Y417 T418 F467 L469 L501 | L397-V407 WeakPolarHBondContact CA-O 3.32Å; A398-V407 PolarHBondContact N-O 3.35Å; A398-V407 PolarHBondContact O-N 3.07Å; V407-L416 HydrophobicContact CG1-CD1 3.93Å; V407-L416 HydrophobicContact CG1-CD2 3.99Å; V407-L416 HydrophobicContact CG1-CG 3.93Å; V407-Y417 WeakPolarHBondContact CA-O 3.45Å; V407-T418 HydrophobicContact CG2-CG2 4.36Å; V407-F467 HydrophobicContact CB-CE2 3.84Å; V407-F467 HydrophobicContact CB-CZ 4.05Å; V407-F467 HydrophobicContact CG1-CD2 4.45Å; V407-F467 HydrophobicContact CG1-CE2 3.61Å; V407-F467 HydrophobicContact CG1-CZ 3.8Å; V407-L469 HydrophobicContact CB-CD1 4.26Å; V407-L469 HydrophobicContact CB-CD2 4.23Å; V407-L469 HydrophobicContact CG1-CD2 4.41Å; V407-L469 HydrophobicContact CG2-CD1 3.94Å; V407-L469 HydrophobicContact CG2-CD2 3.91Å; V407-L501 HydrophobicContact CG2-CD1 3.94Å |
| 408 | A | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I395 I396 L397 L416 Y417 | I395-A408 HydrophobicContact CG2-CB 4Å; I396-A408 CarbonylContact O-C 3.51Å; I396-A408 VanDerWaalsContact O-CA 3.27Å; I396-A408 WeakPolarHBondContact O-CA 3.28Å; L397-A408 HydrophobicContact CD2-CB 3.46Å; L397-A408 VanDerWaalsContact CD2-CB 3.46Å; A408-L416 CarbonylContact O-C 3.54Å; A408-L416 WeakPolarHBondContact O-CA 3.35Å; A408-Y417 PolarHBondContact N-O 3.46Å; A408-Y417 PolarHBondContact O-N 3.3Å |
| 409 | T | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 139.4 | 171.7 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | I395 I396 V415 C464 F467 | I395-T409 CarbonylContact C-O 3.58Å; I395-T409 VanDerWaalsContact CA-O 3.25Å; I395-T409 WeakPolarHBondContact CA-O 3.34Å; I396-T409 HydrophobicContact CB-CG2 4.04Å; I396-T409 PolarHBondContact N-O 3.37Å; I396-T409 PolarHBondContact O-N 3.45Å; T409-V415 WeakPolarHBondContact CB-O 3.41Å; T409-V415 PolarHBondContact OG1-O 2.88Å; T409-C464 HydrophobicContact CG2-CB 3.85Å; T409-C464 WeakPolarHBondContact OG1-CB 3.2Å; T409-F467 HydrophobicContact CG2-CD1 3.84Å; T409-F467 HydrophobicContact CG2-CE1 3.74Å |
| 410 | D | 91.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.1 | 177 | -176.6 | -14.9 | 0 | 0 | 0 | 109.2 | R355 S394 I395 T412 R413 V415 | R355-D410 IonicContact CZ-OD2 3.2Å; R355-D410 IonicContact NH2-OD1 2.67Å; R355-D410 IonicContact NH2-OD2 2.72Å; R355-D410 PolarHBondContact NH2-OD2 3.26Å; S394-D410 CarbonylContact O-C 3.5Å; S394-D410 WeakPolarHBondContact O-CA 3.34Å; I395-D410 HydrophobicContact CG1-CB 4.03Å; D410-T412 VanDerWaalsContact CG-OG1 3.25Å; D410-T412 PolarHBondContact O-N 3.37Å; D410-T412 VanDerWaalsContact O-N 3.14Å; D410-T412 WeakPolarHBondContact OD1-CA 3.43Å; D410-T412 WeakPolarHBondContact OD1-CB 3.47Å; D410-T412 PolarHBondContact OD1-N 2.88Å; D410-T412 PolarHBondContact OD1-OG1 3.43Å; D410-T412 PolarHBondContact OD2-OG1 3.45Å; D410-R413 HydrophobicContact CB-CB 4.24Å; D410-R413 CarbonylContact O-C 3.55Å; D410-R413 PolarHBondContact O-N 3.24Å; D410-V415 HydrophobicContact CB-CG1 4.19Å |
| 411 | V | 87.5 | Confident | 93.3 | Very high | 13 Ų | 13 | 9.7 Ų | 9.7 | 8% | 0.079 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.9 | -179.6 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | Y58 I388 S394 I396 R413 | Y58-V411 HydrophobicContact CE1-CB 4.41Å; I388-V411 HydrophobicContact CG2-CG2 4.37Å; S394-V411 PolarHBondContact O-N 3.32Å; I396-V411 HydrophobicContact CD1-CG1 3.49Å; I396-V411 VanDerWaalsContact CD1-CG1 3.49Å; I396-V411 HydrophobicContact CG1-CG1 4.12Å; V411-R413 PolarHBondContact O-N 3.36Å |
| 412 | T | 87.1 | Confident | 93.5 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 8.5 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | L35 R355 L383 L390 D410 | L35-T412 WeakPolarHBondContact CD1-O 3.37Å; L35-T412 VanDerWaalsContact CG-O 3.24Å; L35-T412 WeakPolarHBondContact CG-O 3.5Å; R355-T412 PolarHBondContact NH2-OG1 2.88Å; L383-T412 HydrophobicContact CD2-CG2 4.23Å; L390-T412 HydrophobicContact CD2-CG2 4.15Å; D410-T412 VanDerWaalsContact CG-OG1 3.25Å; D410-T412 PolarHBondContact O-N 3.37Å; D410-T412 VanDerWaalsContact O-N 3.14Å; D410-T412 WeakPolarHBondContact OD1-CA 3.43Å; D410-T412 WeakPolarHBondContact OD1-CB 3.47Å; D410-T412 PolarHBondContact OD1-N 2.88Å; D410-T412 PolarHBondContact OD1-OG1 3.43Å; D410-T412 PolarHBondContact OD2-OG1 3.45Å |
| 413 | R | 91.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 8.8 Ų | 8.8 | 8% | 0.075 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | 172.4 | -178.9 | -69.3 | -175 | 174 | -83.8 | -16.4 | 111.8 | P29 S33 S375 V376 D410 V411 V415 P463 | P29-R413 VanDerWaalsContact CG-CZ 3.47Å; S33-R413 CarbonylContact O-C 3.52Å; S33-R413 WeakPolarHBondContact O-CA 3.35Å; S33-R413 WeakPolarHBondContact O-CB 3.42Å; S33-R413 WeakPolarHBondContact OG-CD 3.45Å; S33-R413 PolarHBondContact OG-NH1 3.48Å; S375-R413 PolarHBondContact OG-NE 3.45Å; S375-R413 PolarHBondContact OG-NH2 3.13Å; V376-R413 PolarHBondContact O-NH2 3.02Å; D410-R413 HydrophobicContact CB-CB 4.24Å; D410-R413 CarbonylContact O-C 3.55Å; D410-R413 PolarHBondContact O-N 3.24Å; V411-R413 PolarHBondContact O-N 3.36Å; R413-V415 HydrophobicContact CB-CB 4.45Å; R413-V415 HydrophobicContact CB-CG1 3.73Å; R413-P463 WeakPolarHBondContact O-CA 3.3Å; R413-P463 VanDerWaalsContact O-CB 3.26Å; R413-P463 WeakPolarHBondContact O-CB 3.45Å |
| 414 | R | 92.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 8.9 Ų | 8.9 | 8% | 0.075 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -103.7 | 64.2 | 172.9 | -59 | -178.4 | -67.9 | -116.6 | 3.1 | 110.3 | K32 S33 A34 L35 C37 L460 T461 P463 | K32-R414 PolarHBondContact O-NH2 2.88Å; K32-R414 VanDerWaalsContact O-NH2 3.16Å; S33-R414 PolarHBondContact O-N 3.43Å; A34-R414 VanDerWaalsContact O-CZ 3.23Å; A34-R414 PolarHBondContact O-NH2 3.29Å; L35-R414 HydrophobicContact CD2-CG 4.23Å; L35-R414 PolarHBondContact O-NH1 2.99Å; C37-R414 PolarHBondContact O-NH1 2.98Å; C37-R414 PolarHBondContact O-NH2 3.35Å; R414-L460 HydrophobicContact CB-CB 4.32Å; R414-L460 WeakPolarHBondContact CB-O 3.33Å; R414-L460 PolarHBondContact O-N 3.15Å; R414-T461 WeakPolarHBondContact CD-O 3.38Å; R414-P463 HydrophobicContact CG-CG 4.08Å |
| 415 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.6 | -169.7 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | T409 D410 R413 Y417 E457 L459 | T409-V415 WeakPolarHBondContact CB-O 3.41Å; T409-V415 PolarHBondContact OG1-O 2.88Å; D410-V415 HydrophobicContact CB-CG1 4.19Å; R413-V415 HydrophobicContact CB-CB 4.45Å; R413-V415 HydrophobicContact CB-CG1 3.73Å; V415-Y417 HydrophobicContact CB-CE2 4.44Å; V415-Y417 HydrophobicContact CG1-CD2 4.45Å; V415-Y417 HydrophobicContact CG1-CE2 3.63Å; V415-Y417 HydrophobicContact CG2-CE1 4.02Å; V415-Y417 HydrophobicContact CG2-CE2 3.92Å; V415-E457 HydrophobicContact CG2-CG 3.43Å; V415-E457 VanDerWaalsContact CG2-CG 3.43Å; V415-L459 HydrophobicContact CG2-CD2 4.46Å |
| 416 | L | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.6 | 168 | 177.9 | 152.8 | 0 | 0 | 0 | 108.9 | V407 A408 T418 F458 L460 I503 I516 | V407-L416 HydrophobicContact CG1-CD1 3.93Å; V407-L416 HydrophobicContact CG1-CD2 3.99Å; V407-L416 HydrophobicContact CG1-CG 3.93Å; A408-L416 CarbonylContact O-C 3.54Å; A408-L416 WeakPolarHBondContact O-CA 3.35Å; L416-T418 HydrophobicContact CD2-CG2 3.81Å; L416-F458 HydrophobicContact CD2-CD2 4Å; L416-F458 PolarHBondContact N-O 3.24Å; L416-F458 PolarHBondContact O-N 2.95Å; L416-L460 HydrophobicContact CB-CD1 4.46Å; L416-I503 HydrophobicContact CD1-CD1 3.5Å; L416-I503 VanDerWaalsContact CD1-CD1 3.5Å; L416-I516 HydrophobicContact CD1-CD1 3.76Å; L416-I516 HydrophobicContact CD2-CD1 3.63Å; L416-I516 HydrophobicContact CG-CD1 4.39Å |
| 417 | Y | 97.4 | Very high | 90 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146.1 | 174.3 | -61.2 | -75.6 | 0 | 0 | 0 | 111.2 | F9 V27 P29 F373 V407 A408 V415 I455 G456 E457 | F9-Y417 HydrophobicContact CD2-CE1 4.07Å; F9-Y417 HydrophobicContact CE2-CD1 4.25Å; F9-Y417 AromaticContact CE2-CE1 3.89Å; F9-Y417 HydrophobicContact CE2-CE1 3.89Å; V27-Y417 HydrophobicContact CG1-CE1 4.34Å; P29-Y417 VanDerWaalsContact CB-OH 3.27Å; P29-Y417 WeakPolarHBondContact CB-OH 3.3Å; F373-Y417 HydrophobicContact CD1-CD2 4.32Å; F373-Y417 HydrophobicContact CD1-CE2 4.15Å; F373-Y417 AromaticContact CE1-CD2 3.69Å; F373-Y417 HydrophobicContact CE1-CD2 3.69Å; F373-Y417 AromaticContact CE1-CE2 3.97Å; F373-Y417 HydrophobicContact CE1-CE2 3.97Å; F373-Y417 HydrophobicContact CE1-CG 4.05Å; V407-Y417 WeakPolarHBondContact CA-O 3.45Å; A408-Y417 PolarHBondContact N-O 3.46Å; A408-Y417 PolarHBondContact O-N 3.3Å; V415-Y417 HydrophobicContact CB-CE2 4.44Å; V415-Y417 HydrophobicContact CG1-CD2 4.45Å; V415-Y417 HydrophobicContact CG1-CE2 3.63Å; V415-Y417 HydrophobicContact CG2-CE1 4.02Å; V415-Y417 HydrophobicContact CG2-CE2 3.92Å; Y417-I455 HydrophobicContact CD1-CD1 4.12Å; Y417-I455 HydrophobicContact CD1-CG1 4.34Å; Y417-I455 HydrophobicContact CG-CD1 4.49Å; Y417-G456 WeakPolarHBondContact CA-O 3.41Å; Y417-G456 WeakPolarHBondContact CD1-O 3.13Å; Y417-E457 HydrophobicContact CD1-CB 4.01Å; Y417-E457 HydrophobicContact CD1-CG 4.23Å; Y417-E457 HydrophobicContact CE1-CB 3.67Å; Y417-E457 HydrophobicContact CE1-CG 3.55Å; Y417-E457 WeakPolarHBondContact CE1-OE1 3.36Å; Y417-E457 PolarHBondContact OH-OE1 3.48Å |
| 418 | T | 97.3 | Very high | 88 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.2 | 166.8 | 67.7 | 0 | 0 | 0 | 0 | 109.5 | V407 L416 I455 G456 F458 L501 F518 | V407-T418 HydrophobicContact CG2-CG2 4.36Å; L416-T418 HydrophobicContact CD2-CG2 3.81Å; T418-I455 CarbonylContact O-C 3.43Å; T418-I455 WeakPolarHBondContact O-CA 3.39Å; T418-G456 PolarHBondContact N-O 3.18Å; T418-G456 PolarHBondContact O-N 3.01Å; T418-F458 HydrophobicContact CG2-CD2 4.22Å; T418-F458 HydrophobicContact CG2-CE2 3.79Å; T418-F458 WeakPolarHBondContact OG1-CE2 2.85Å; T418-L501 HydrophobicContact CG2-CD1 4.01Å; T418-F518 HydrophobicContact CG2-CE1 4.16Å; T418-F518 HydrophobicContact CG2-CZ 4.29Å; T418-F518 WeakPolarHBondContact OG1-CZ 3.22Å |
| 419 | L | 97.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.5 | 177.9 | -63.7 | 79.4 | 0 | 0 | 0 | 109.3 | I371 F405 L406 L421 F452 S454 I455 | I371-L419 HydrophobicContact CD1-CD2 3.52Å; I371-L419 HydrophobicContact CG2-CD2 4.48Å; F405-L419 WeakPolarHBondContact CA-O 3.47Å; L406-L419 HydrophobicContact CB-CB 4.33Å; L406-L419 HydrophobicContact CD2-CD1 4.49Å; L406-L419 PolarHBondContact N-O 3.33Å; L406-L419 PolarHBondContact O-N 2.95Å; L419-L421 PolarHBondContact O-N 3.34Å; L419-F452 HydrophobicContact CB-CD1 3.6Å; L419-F452 HydrophobicContact CB-CE1 3.95Å; L419-F452 HydrophobicContact CB-CG 4.37Å; L419-F452 HydrophobicContact CD2-CD1 4.24Å; L419-F452 HydrophobicContact CD2-CG 4.33Å; L419-S454 CarbonylContact C-O 3.54Å; L419-S454 WeakPolarHBondContact CA-O 3.14Å; L419-I455 HydrophobicContact CD1-CD1 4.06Å; L419-I455 HydrophobicContact CD1-CG1 4.19Å; L419-I455 HydrophobicContact CD2-CD1 4.22Å; L419-I455 HydrophobicContact CG-CB 4.1Å; L419-I455 HydrophobicContact CG-CD1 3.93Å; L419-I455 HydrophobicContact CG-CG1 3.89Å |
| 420 | E | 96.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 116.9 | 176.2 | -176.4 | 179.1 | -146.7 | 0 | 0 | 109.7 | S404 F405 F452 I453 S454 R474 L520 R523 | S404-E420 WeakPolarHBondContact O-CA 3.2Å; F405-E420 HydrophobicContact CD1-CB 4.36Å; F405-E420 HydrophobicContact CE1-CB 3.92Å; F405-E420 HydrophobicContact CE1-CG 4.13Å; E420-F452 CarbonylContact O-C 3.43Å; E420-F452 VanDerWaalsContact O-CA 3.29Å; E420-F452 WeakPolarHBondContact O-CA 3.43Å; E420-I453 HydrophobicContact CB-CG1 4.32Å; E420-I453 HydrophobicContact CG-CD1 4.39Å; E420-I453 HydrophobicContact CG-CG1 4.06Å; E420-I453 PolarHBondContact O-N 2.95Å; E420-S454 WeakPolarHBondContact CB-OG 3.17Å; E420-S454 PolarHBondContact N-O 2.96Å; E420-S454 PolarHBondContact OE2-OG 3.47Å; E420-S454 VanDerWaalsContact OE2-OG 3.05Å; E420-R474 IonicContact OE1-CZ 3.83Å; E420-R474 VanDerWaalsContact OE1-CZ 3.28Å; E420-R474 IonicContact OE1-NH1 3.32Å; E420-R474 PolarHBondContact OE1-NH1 2.72Å; E420-R474 IonicContact OE1-NH2 3.83Å; E420-R474 PolarHBondContact OE1-NH2 2.8Å; E420-L520 HydrophobicContact CG-CD1 4.39Å; E420-R523 IonicContact OE1-NH1 2.71Å; E420-R523 IonicContact OE2-CZ 2.67Å; E420-R523 IonicContact OE2-NH1 3.89Å; E420-R523 PolarHBondContact OE2-NH1 2.71Å; E420-R523 IonicContact OE2-NH2 2.68Å |
| 421 | L | 94.4 | Very high | 80.8 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.1 | 170.4 | -161.1 | 78.7 | 0 | 0 | 0 | 109.2 | L332 L359 A403 S404 L419 V423 C450 F452 | L332-L421 HydrophobicContact CB-CD2 4.17Å; L332-L421 HydrophobicContact CD1-CD1 4.17Å; L332-L421 HydrophobicContact CD1-CD2 3.88Å; L332-L421 HydrophobicContact CG-CD2 4.49Å; L359-L421 HydrophobicContact CD2-CD1 4.47Å; A403-L421 VanDerWaalsContact O-CD2 3.24Å; A403-L421 WeakPolarHBondContact O-CD2 3.26Å; S404-L421 PolarHBondContact O-N 2.87Å; L419-L421 PolarHBondContact O-N 3.34Å; L421-V423 HydrophobicContact CD2-CG2 4.35Å; L421-C450 VanDerWaalsContact CD1-SG 3.58Å; L421-C450 VanDerWaalsContact CG-SG 3.59Å; L421-F452 HydrophobicContact CB-CD1 4.26Å; L421-F452 HydrophobicContact CB-CE1 4.24Å; L421-F452 HydrophobicContact CD1-CD1 3.59Å; L421-F452 HydrophobicContact CD1-CD2 4.17Å; L421-F452 HydrophobicContact CD1-CE1 3.45Å; L421-F452 VanDerWaalsContact CD1-CE1 3.45Å; L421-F452 HydrophobicContact CD1-CE2 4.05Å; L421-F452 HydrophobicContact CD1-CG 3.97Å; L421-F452 HydrophobicContact CD1-CZ 3.69Å; L421-F452 HydrophobicContact CG-CE1 4.45Å |
| 422 | A | 92.7 | Very high | 78.6 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C450 C451 I453 K528 I532 | A422-C450 WeakPolarHBondContact O-CA 3.16Å; A422-C451 PolarHBondContact N-O 3Å; A422-C451 PolarHBondContact O-N 2.93Å; A422-C451 VanDerWaalsContact O-N 3.14Å; A422-I453 HydrophobicContact CB-CD1 3.68Å; A422-I453 HydrophobicContact CB-CG1 3.9Å; A422-I453 HydrophobicContact CB-CG2 3.86Å; A422-K528 HydrophobicContact CB-CB 4.42Å; A422-K528 HydrophobicContact CB-CD 4.27Å; A422-K528 HydrophobicContact CB-CG 4.39Å; A422-I532 HydrophobicContact CB-CD1 4Å |
| 423 | V | 88.7 | Confident | 76.2 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 171.4 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | Y346 L421 K448 I449 C450 | Y346-V423 HydrophobicContact CE2-CG1 4.37Å; L421-V423 HydrophobicContact CD2-CG2 4.35Å; V423-K448 HydrophobicContact CG1-CB 4.13Å; V423-I449 VanDerWaalsContact CA-O 3.32Å; V423-I449 WeakPolarHBondContact CA-O 3.4Å; V423-C450 HydrophobicContact CG2-CB 4.1Å |
| 424 | V | 85.3 | Confident | 73.6 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 152.9 | 179.9 | -166.1 | 0 | 0 | 0 | 0 | 110 | K448 I449 E525 K528 L529 I532 | V424-K448 CarbonylContact O-C 3.53Å; V424-K448 VanDerWaalsContact O-CA 3.25Å; V424-K448 WeakPolarHBondContact O-CA 3.45Å; V424-I449 PolarHBondContact N-O 3.45Å; V424-I449 PolarHBondContact O-N 2.98Å; V424-E525 HydrophobicContact CG1-CB 4.12Å; V424-K528 HydrophobicContact CG2-CB 3.71Å; V424-L529 HydrophobicContact CG1-CB 4.11Å; V424-L529 HydrophobicContact CG1-CD1 4.14Å; V424-I532 HydrophobicContact CB-CD1 4.41Å; V424-I532 HydrophobicContact CG2-CD1 3.81Å |
| 425 | K | 79.2 | Confident | 70.9 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 131.9 | 172.8 | -69.3 | 176.2 | 179 | 177 | 0 | 110.3 | K448 L529 | K425-K448 HydrophobicContact CB-CG 4.44Å; K425-K448 HydrophobicContact CG-CD 4.37Å; K425-K448 HydrophobicContact CG-CG 3.8Å; K425-L529 WeakPolarHBondContact O-CD1 3.38Å |
| 426 | D | 69.5 | Low | 67.9 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | trans | -76.4 | 121.1 | 168.1 | -171.7 | -2 | 0 | 0 | 0 | 109.5 | S428 K447 I449 | D426-S428 VanDerWaalsContact CG-OG 3.3Å; D426-S428 WeakPolarHBondContact OD1-CB 3.28Å; D426-S428 PolarHBondContact OD1-N 3.38Å; D426-S428 PolarHBondContact OD1-OG 3.04Å; D426-S428 PolarHBondContact OD2-OG 2.87Å; D426-K447 WeakPolarHBondContact CB-O 3.25Å; D426-K447 PolarHBondContact N-O 3.45Å; D426-I449 HydrophobicContact CB-CD1 3.92Å; D426-I449 HydrophobicContact CB-CG1 4.13Å | ||
| 427 | V | 64 | Low | 64.8 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | trans | -103.6 | 0.3 | -178.5 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | N429 | V427-N429 VanDerWaalsContact C-N 3.28Å; V427-N429 PolarHBondContact O-N 2.98Å | ||
| 428 | S | 56.3 | Low | 61.7 | Low | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.6 | -170.6 | 63 | 0 | 0 | 0 | 0 | 114.9 | D426 | D426-S428 VanDerWaalsContact CG-OG 3.3Å; D426-S428 WeakPolarHBondContact OD1-CB 3.28Å; D426-S428 PolarHBondContact OD1-N 3.38Å; D426-S428 PolarHBondContact OD1-OG 3.04Å; D426-S428 PolarHBondContact OD2-OG 2.87Å |
| 429 | N | 44.2 | Very low | 58.5 | Low | 107 Ų | 107 | 85.7 Ų | 85.7 | 57% | 0.572 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -7.2 | -169.6 | -76 | -40.9 | 0 | 0 | 0 | 116 | V427 N431 | V427-N429 VanDerWaalsContact C-N 3.28Å; V427-N429 PolarHBondContact O-N 2.98Å; N429-N431 VanDerWaalsContact C-N 3.31Å; N429-N431 PolarHBondContact O-N 3.35Å |
| 430 | D | 44.9 | Very low | 55.2 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -23.3 | -175.5 | -75.4 | -30.9 | 0 | 0 | 0 | 113.2 | ||
| 431 | N | 39.9 | Very low | 51.9 | Low | 135 Ų | 135 | 97.3 Ų | 97.3 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -31.1 | -174 | -73.2 | -45.5 | 0 | 0 | 0 | 115 | N429 R433 | N429-N431 VanDerWaalsContact C-N 3.31Å; N429-N431 PolarHBondContact O-N 3.35Å; N431-R433 VanDerWaalsContact C-N 3.29Å; N431-R433 PolarHBondContact O-N 3.27Å |
| 432 | E | 40.7 | Very low | 48.8 | Very low | 167 Ų | 167 | 105.2 Ų | 105.2 | 78% | 0.78 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -76.4 | -18.2 | 178.5 | -67.8 | -156.2 | 141 | 0 | 0 | 113 | L434 | E432-L434 VanDerWaalsContact C-N 3.28Å; E432-L434 PolarHBondContact O-N 2.93Å |
| 433 | R | 37.1 | Very low | 45.8 | Very low | 149 Ų | 149 | 112.6 Ų | 112.6 | 56% | 0.562 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -79.1 | -6.1 | -167.4 | -139.4 | 170.7 | -173.4 | 173.2 | -2.1 | 115 | N431 L435 S444 | N431-R433 VanDerWaalsContact C-N 3.29Å; N431-R433 PolarHBondContact O-N 3.27Å; R433-L435 PolarHBondContact O-N 3.14Å; R433-S444 PolarHBondContact NH1-OG 3.41Å |
| 434 | L | 36.5 | Very low | 43 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -76 | -2.8 | 180 | -72 | 171 | 0 | 0 | 0 | 114.5 | E432 | E432-L434 VanDerWaalsContact C-N 3.28Å; E432-L434 PolarHBondContact O-N 2.93Å |
| 435 | L | 36.2 | Very low | 41 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 88% | 0.88 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -117.5 | 2.7 | -175 | -70.2 | 173.1 | 0 | 0 | 0 | 115.5 | R433 | R433-L435 PolarHBondContact O-N 3.14Š|
| 436 | S | 31.9 | Very low | 39.6 | Very low | 87 Ų | 87 | 115 Ų | 115 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | trans | -124.4 | 53 | -177 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | S438 | S436-S438 PolarHBondContact O-N 3.43Š| ||
| 437 | S | 29.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -73.3 | 78.1 | 179.2 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 438 | S | 32.5 | Very low | 40.1 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -159.1 | 115 | 162.9 | -80 | 0 | 0 | 0 | 0 | 114.1 | S436 | S436-S438 PolarHBondContact O-N 3.43Š|
| 439 | S | 29.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 87% | 0.867 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 63 | 60.3 | 144.6 | -51.7 | 0 | 0 | 0 | 0 | 120.5 | ||
| 440 | S | 30.1 | Very low | 43.6 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 81% | 0.811 | 62% | 0.615 | S | S | * | * | trans | -161.2 | 87.1 | 147.4 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | M442 | S440-M442 PolarHBondContact O-N 3.22Š| ||
| 441 | S | 26.5 | Very low | 46 | Very low | 130 Ų | 130 | 103.4 Ų | 103.4 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | trans | -88.2 | 73.7 | 179.8 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 442 | M | 29.2 | Very low | 48.7 | Very low | 178 Ų | 178 | 97.1 Ų | 97.1 | 88% | 0.877 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -129 | 138.6 | 161.6 | -86.7 | -163.8 | 155.5 | 0 | 0 | 111.2 | S440 S444 | S440-M442 PolarHBondContact O-N 3.22Å; M442-S444 PolarHBondContact O-N 2.92Å |
| 443 | L | 29.1 | Very low | 51.4 | Low | 159 Ų | 159 | 89.2 Ų | 89.2 | 83% | 0.832 | 52% | 0.519 | S | S | * | . | trans | -7.7 | 103.9 | -179.9 | -68.7 | 161.6 | 0 | 0 | 0 | 116.3 | V445 | L443-V445 HydrophobicContact CB-CG2 4.29Å; L443-V445 PolarHBondContact O-N 3.47Å | ||
| 444 | S | 31.1 | Very low | 54.2 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | trans | -74.2 | 76.5 | 165.6 | -179 | 0 | 0 | 0 | 0 | 110.6 | R433 M442 S446 | R433-S444 PolarHBondContact NH1-OG 3.41Å; M442-S444 PolarHBondContact O-N 2.92Å; S444-S446 PolarHBondContact O-N 3.44Å; S444-S446 VanDerWaalsContact O-N 3.15Å | ||
| 445 | V | 41.9 | Very low | 57.1 | Low | 98 Ų | 98 | 75.1 Ų | 75.1 | 59% | 0.594 | 46% | 0.456 | S | S | * | . | trans | -63.4 | 114.3 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | L443 K447 | L443-V445 HydrophobicContact CB-CG2 4.29Å; L443-V445 PolarHBondContact O-N 3.47Å; V445-K447 PolarHBondContact O-N 3.06Å; V445-K447 VanDerWaalsContact O-N 3.07Å | ||
| 446 | S | 50.9 | Low | 60 | Low | 47 Ų | 47 | 67.2 Ų | 67.2 | 33% | 0.329 | 41% | 0.414 | S | S | . | . | trans | -61.6 | 110.6 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 108.9 | S444 K448 | S444-S446 PolarHBondContact O-N 3.44Å; S444-S446 VanDerWaalsContact O-N 3.15Å; S446-K448 PolarHBondContact O-N 2.91Å; S446-K448 VanDerWaalsContact O-N 3.11Å | ||
| 447 | K | 65.8 | Low | 63.1 | Low | 107 Ų | 107 | 63.2 Ų | 63.2 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | trans | -58.3 | 120.8 | 179.3 | -167.4 | 169.8 | -173.4 | 175.1 | 0 | 107.6 | D364 D426 V445 | D364-K447 IonicContact OD2-NZ 3.2Å; D364-K447 PolarHBondContact OD2-NZ 2.99Å; D364-K447 VanDerWaalsContact OD2-NZ 3.14Å; D426-K447 WeakPolarHBondContact CB-O 3.25Å; D426-K447 PolarHBondContact N-O 3.45Å; V445-K447 PolarHBondContact O-N 3.06Å; V445-K447 VanDerWaalsContact O-N 3.07Å | ||
| 448 | K | 77 | Confident | 66.2 | Low | 21 Ų | 21 | 57.7 Ų | 57.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 163.4 | 169.8 | -76.6 | 160.3 | 175.1 | 166.2 | 0 | 108.6 | D339 S341 I342 Y346 V423 V424 K425 S446 | D339-K448 IonicContact OD1-NZ 3.65Å; D339-K448 IonicContact OD2-NZ 3.72Å; D339-K448 PolarHBondContact OD2-NZ 3.49Å; S341-K448 PolarHBondContact OG-NZ 3.39Å; I342-K448 HydrophobicContact CD1-CD 3.72Å; I342-K448 VanDerWaalsContact CD1-NZ 3.29Å; I342-K448 HydrophobicContact CG1-CD 3.68Å; Y346-K448 PolarHBondContact OH-O 2.9Å; V423-K448 HydrophobicContact CG1-CB 4.13Å; V424-K448 CarbonylContact O-C 3.53Å; V424-K448 VanDerWaalsContact O-CA 3.25Å; V424-K448 WeakPolarHBondContact O-CA 3.45Å; K425-K448 HydrophobicContact CB-CG 4.44Å; K425-K448 HydrophobicContact CG-CD 4.37Å; K425-K448 HydrophobicContact CG-CG 3.8Å; S446-K448 PolarHBondContact O-N 2.91Å; S446-K448 VanDerWaalsContact O-N 3.11Å |
| 449 | I | 84.8 | Confident | 69.2 | Low | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.7 | 175.6 | -49.9 | -179.8 | 0 | 0 | 0 | 108.4 | Y346 V423 V424 D426 I532 L536 | Y346-I449 VanDerWaalsContact OH-CA 3.28Å; Y346-I449 WeakPolarHBondContact OH-CA 3.49Å; Y346-I449 PolarHBondContact OH-N 2.7Å; Y346-I449 VanDerWaalsContact OH-N 3.16Å; V423-I449 VanDerWaalsContact CA-O 3.32Å; V423-I449 WeakPolarHBondContact CA-O 3.4Å; V424-I449 PolarHBondContact N-O 3.45Å; V424-I449 PolarHBondContact O-N 2.98Å; D426-I449 HydrophobicContact CB-CD1 3.92Å; D426-I449 HydrophobicContact CB-CG1 4.13Å; I449-I532 HydrophobicContact CB-CG2 3.94Å; I449-I532 HydrophobicContact CG2-CG2 3.32Å; I449-L536 HydrophobicContact CG2-CD1 3.33Å |
| 450 | C | 90.3 | Very high | 72.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.6 | -174.5 | -179 | 0 | 0 | 0 | 0 | 111.9 | Y346 L359 L421 A422 V423 | Y346-C450 HydrophobicContact CD1-CB 3.64Å; Y346-C450 HydrophobicContact CD2-CB 3.7Å; Y346-C450 HydrophobicContact CE1-CB 3.44Å; Y346-C450 VanDerWaalsContact CE1-CB 3.44Å; Y346-C450 HydrophobicContact CE2-CB 3.52Å; Y346-C450 HydrophobicContact CG-CB 3.76Å; L359-C450 WeakPolarHBondContact CD2-O 3.46Å; L421-C450 VanDerWaalsContact CD1-SG 3.58Å; L421-C450 VanDerWaalsContact CG-SG 3.59Å; A422-C450 WeakPolarHBondContact O-CA 3.16Å; V423-C450 HydrophobicContact CG2-CB 4.1Å |
| 451 | C | 95.3 | Very high | 75.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 160.6 | 168.7 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | A422 I532 I535 | A422-C451 PolarHBondContact N-O 3Å; A422-C451 PolarHBondContact O-N 2.93Å; A422-C451 VanDerWaalsContact O-N 3.14Å; C451-I532 HydrophobicContact CB-CG1 4.11Å; C451-I535 HydrophobicContact CB-CD1 4Å; C451-I535 HydrophobicContact CB-CG2 4.43Å |
| 452 | F | 97 | Very high | 78.2 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.9 | 160 | -61.8 | -77.8 | 0 | 0 | 0 | 110 | I20 L348 L359 Q369 I371 L406 L419 E420 L421 | I20-F452 HydrophobicContact CD1-CB 3.87Å; L348-F452 HydrophobicContact CD1-CE2 3.96Å; L348-F452 HydrophobicContact CD1-CZ 4.14Å; L359-F452 HydrophobicContact CD2-CD2 4.37Å; L359-F452 HydrophobicContact CD2-CE2 4.41Å; Q369-F452 PolarHBondContact NE2-O 3.39Å; Q369-F452 VanDerWaalsContact NE2-O 3.11Å; I371-F452 HydrophobicContact CD1-CB 4.09Å; I371-F452 HydrophobicContact CD1-CD2 3.59Å; I371-F452 HydrophobicContact CD1-CE2 4.26Å; I371-F452 HydrophobicContact CD1-CG 3.98Å; L406-F452 HydrophobicContact CB-CE1 3.7Å; L406-F452 HydrophobicContact CB-CZ 4.15Å; L406-F452 HydrophobicContact CD2-CE1 4.06Å; L406-F452 HydrophobicContact CD2-CZ 3.78Å; L419-F452 HydrophobicContact CB-CD1 3.6Å; L419-F452 HydrophobicContact CB-CE1 3.95Å; L419-F452 HydrophobicContact CB-CG 4.37Å; L419-F452 HydrophobicContact CD2-CD1 4.24Å; L419-F452 HydrophobicContact CD2-CG 4.33Å; E420-F452 CarbonylContact O-C 3.43Å; E420-F452 VanDerWaalsContact O-CA 3.29Å; E420-F452 WeakPolarHBondContact O-CA 3.43Å; L421-F452 HydrophobicContact CB-CD1 4.26Å; L421-F452 HydrophobicContact CB-CE1 4.24Å; L421-F452 HydrophobicContact CD1-CD1 3.59Å; L421-F452 HydrophobicContact CD1-CD2 4.17Å; L421-F452 HydrophobicContact CD1-CE1 3.45Å; L421-F452 VanDerWaalsContact CD1-CE1 3.45Å; L421-F452 HydrophobicContact CD1-CE2 4.05Å; L421-F452 HydrophobicContact CD1-CG 3.97Å; L421-F452 HydrophobicContact CD1-CZ 3.69Å; L421-F452 HydrophobicContact CG-CE1 4.45Å |
| 453 | I | 96.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -9.3 | -172.7 | 63.2 | 159.9 | 0 | 0 | 0 | 114.8 | I20 E420 A422 R523 K528 I531 I532 I535 | I20-I453 PolarHBondContact N-O 3.36Å; E420-I453 HydrophobicContact CB-CG1 4.32Å; E420-I453 HydrophobicContact CG-CD1 4.39Å; E420-I453 HydrophobicContact CG-CG1 4.06Å; E420-I453 PolarHBondContact O-N 2.95Å; A422-I453 HydrophobicContact CB-CD1 3.68Å; A422-I453 HydrophobicContact CB-CG1 3.9Å; A422-I453 HydrophobicContact CB-CG2 3.86Å; I453-R523 PolarHBondContact O-NH2 3.33Å; I453-K528 HydrophobicContact CD1-CG 4.04Å; I453-I531 HydrophobicContact CB-CG2 4.09Å; I453-I531 HydrophobicContact CG2-CG2 3.76Å; I453-I532 HydrophobicContact CG2-CG1 4.27Å; I453-I535 HydrophobicContact CG2-CD1 4.39Å |
| 454 | S | 96.2 | Very high | 84 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 159.4 | 164.6 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | R18 L419 E420 | R18-S454 CarbonylContact O-C 3.6Å; R18-S454 WeakPolarHBondContact O-CA 3.02Å; R18-S454 WeakPolarHBondContact O-CB 3.43Å; L419-S454 CarbonylContact C-O 3.54Å; L419-S454 WeakPolarHBondContact CA-O 3.14Å; E420-S454 WeakPolarHBondContact CB-OG 3.17Å; E420-S454 PolarHBondContact N-O 2.96Å; E420-S454 PolarHBondContact OE2-OG 3.47Å; E420-S454 VanDerWaalsContact OE2-OG 3.05Å |
| 455 | I | 97.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.9 | 175.6 | 179.3 | 169.3 | 0 | 0 | 0 | 110.1 | I7 F9 I17 R18 I20 V27 F373 Y417 T418 L419 | I7-I455 HydrophobicContact CD1-CG2 3.64Å; I7-I455 HydrophobicContact CG2-CG2 4.19Å; F9-I455 HydrophobicContact CE2-CD1 4.41Å; F9-I455 HydrophobicContact CE2-CG1 4.4Å; F9-I455 HydrophobicContact CZ-CG1 4.13Å; F9-I455 HydrophobicContact CZ-CG2 4.06Å; I17-I455 WeakPolarHBondContact CA-O 3.22Å; R18-I455 PolarHBondContact N-O 3.4Å; R18-I455 PolarHBondContact O-N 3.25Å; I20-I455 HydrophobicContact CD1-CB 4.21Å; I20-I455 HydrophobicContact CD1-CG2 4.14Å; I20-I455 HydrophobicContact CG1-CG2 4.1Å; V27-I455 HydrophobicContact CG1-CD1 3.94Å; V27-I455 HydrophobicContact CG2-CD1 3.8Å; F373-I455 HydrophobicContact CE1-CD1 4.37Å; Y417-I455 HydrophobicContact CD1-CD1 4.12Å; Y417-I455 HydrophobicContact CD1-CG1 4.34Å; Y417-I455 HydrophobicContact CG-CD1 4.49Å; T418-I455 CarbonylContact O-C 3.43Å; T418-I455 WeakPolarHBondContact O-CA 3.39Å; L419-I455 HydrophobicContact CD1-CD1 4.06Å; L419-I455 HydrophobicContact CD1-CG1 4.19Å; L419-I455 HydrophobicContact CD2-CD1 4.22Å; L419-I455 HydrophobicContact CG-CB 4.1Å; L419-I455 HydrophobicContact CG-CD1 3.93Å; L419-I455 HydrophobicContact CG-CG1 3.89Å |
| 456 | G | 96.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | N16 Y417 T418 | N16-G456 CarbonylContact O-C 3.54Å; N16-G456 WeakPolarHBondContact O-CA 3.36Å; Y417-G456 WeakPolarHBondContact CA-O 3.41Å; Y417-G456 WeakPolarHBondContact CD1-O 3.13Å; T418-G456 PolarHBondContact N-O 3.18Å; T418-G456 PolarHBondContact O-N 3.01Å |
| 457 | E | 96.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119 | 172.7 | -176.5 | 177.2 | -98.1 | 0 | 0 | 111.8 | F9 N16 P29 S30 V415 Y417 | F9-E457 HydrophobicContact CB-CB 4.18Å; F9-E457 VanDerWaalsContact CB-CD 3.46Å; F9-E457 HydrophobicContact CB-CG 4.4Å; F9-E457 VanDerWaalsContact CB-OE2 3.23Å; F9-E457 WeakPolarHBondContact CB-OE2 3.04Å; F9-E457 HydrophobicContact CD1-CB 3.67Å; F9-E457 HydrophobicContact CD2-CB 3.7Å; F9-E457 HydrophobicContact CD2-CG 4.3Å; F9-E457 HydrophobicContact CE1-CB 3.86Å; F9-E457 HydrophobicContact CE2-CB 3.87Å; F9-E457 HydrophobicContact CG-CB 3.58Å; F9-E457 HydrophobicContact CG-CG 4.25Å; F9-E457 HydrophobicContact CZ-CB 3.94Å; N16-E457 VanDerWaalsContact CB-O 3.28Å; N16-E457 WeakPolarHBondContact CB-O 3.49Å; N16-E457 PolarHBondContact O-N 3Å; P29-E457 WeakPolarHBondContact CA-OE1 3.39Å; S30-E457 WeakPolarHBondContact CB-OE2 3.25Å; S30-E457 PolarHBondContact N-OE1 3.21Å; S30-E457 VanDerWaalsContact N-OE1 3.09Å; S30-E457 PolarHBondContact N-OE2 3.23Å; V415-E457 HydrophobicContact CG2-CG 3.43Å; V415-E457 VanDerWaalsContact CG2-CG 3.43Å; Y417-E457 HydrophobicContact CD1-CB 4.01Å; Y417-E457 HydrophobicContact CD1-CG 4.23Å; Y417-E457 HydrophobicContact CE1-CB 3.67Å; Y417-E457 HydrophobicContact CE1-CG 3.55Å; Y417-E457 WeakPolarHBondContact CE1-OE1 3.36Å; Y417-E457 PolarHBondContact OH-OE1 3.48Å |
| 458 | F | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.2 | 177.7 | -53.2 | -85.4 | 0 | 0 | 0 | 110.4 | K45 I46 L416 T418 I516 F518 | K45-F458 HydrophobicContact CB-CD1 3.95Å; K45-F458 HydrophobicContact CB-CE1 3.91Å; K45-F458 HydrophobicContact CG-CD1 4.31Å; K45-F458 HydrophobicContact CG-CE1 4.1Å; I46-F458 HydrophobicContact CD1-CB 3.7Å; I46-F458 HydrophobicContact CG1-CB 4.22Å; L416-F458 HydrophobicContact CD2-CD2 4Å; L416-F458 PolarHBondContact N-O 3.24Å; L416-F458 PolarHBondContact O-N 2.95Å; T418-F458 HydrophobicContact CG2-CD2 4.22Å; T418-F458 HydrophobicContact CG2-CE2 3.79Å; T418-F458 WeakPolarHBondContact OG1-CE2 2.85Å; F458-I516 HydrophobicContact CD1-CG2 4.41Å; F458-I516 HydrophobicContact CD2-CG2 4.44Å; F458-I516 HydrophobicContact CE1-CG2 4.44Å; F458-I516 HydrophobicContact CE2-CG2 4.47Å; F458-I516 HydrophobicContact CG-CG2 4.41Å; F458-I516 HydrophobicContact CZ-CG2 4.47Å; F458-F518 HydrophobicContact CE1-CB 3.98Å; F458-F518 HydrophobicContact CE1-CD1 4.33Å; F458-F518 HydrophobicContact CE1-CG 4.28Å; F458-F518 HydrophobicContact CE2-CD1 4.38Å; F458-F518 HydrophobicContact CZ-CB 3.9Å; F458-F518 AromaticContact CZ-CD1 3.71Å; F458-F518 HydrophobicContact CZ-CD1 3.71Å; F458-F518 HydrophobicContact CZ-CD2 4.27Å; F458-F518 HydrophobicContact CZ-CE1 4.25Å; F458-F518 AromaticContact CZ-CG 3.71Å; F458-F518 HydrophobicContact CZ-CG 3.71Å |
| 459 | L | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 146.6 | 179.7 | -60.4 | -178.1 | 0 | 0 | 0 | 112.1 | K32 S41 A42 S43 V415 | K32-L459 HydrophobicContact CB-CD1 3.7Å; K32-L459 HydrophobicContact CD-CD1 4.03Å; S41-L459 WeakPolarHBondContact O-CB 3.37Å; A42-L459 WeakPolarHBondContact CA-O 3.46Å; S43-L459 PolarHBondContact N-O 3.36Å; V415-L459 HydrophobicContact CG2-CD2 4.46Å |
| 460 | L | 94.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 3% | 0.026 | 7% | 0.067 | C | C | . | . | trans | -115.5 | 160.8 | 177.1 | -59.3 | 171.7 | 0 | 0 | 0 | 110.4 | I46 R414 L416 T462 C464 | I46-L460 HydrophobicContact CD1-CD2 3.62Å; R414-L460 HydrophobicContact CB-CB 4.32Å; R414-L460 WeakPolarHBondContact CB-O 3.33Å; R414-L460 PolarHBondContact O-N 3.15Å; L416-L460 HydrophobicContact CB-CD1 4.46Å; L460-T462 VanDerWaalsContact CB-O 3.29Å; L460-T462 WeakPolarHBondContact CB-O 3.4Å; L460-C464 HydrophobicContact CD1-CB 4.05Å | ||
| 461 | T | 91.2 | Very high | 93.8 | Very high | 69 Ų | 69 | 13.6 Ų | 13.6 | 42% | 0.423 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -79.2 | -23.5 | 168.8 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | A42 R414 | A42-T461 HydrophobicContact CB-CG2 3.71Å; R414-T461 WeakPolarHBondContact CD-O 3.38Å |
| 462 | T | 89.3 | Confident | 93.6 | Very high | 46 Ų | 46 | 15.2 Ų | 15.2 | 28% | 0.282 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -143.9 | 154.5 | 179.8 | 53.1 | 0 | 0 | 0 | 0 | 111 | L460 H507 | L460-T462 VanDerWaalsContact CB-O 3.29Å; L460-T462 WeakPolarHBondContact CB-O 3.4Å; T462-H507 PolarHBondContact O-CE1 1.82Å; T462-H507 PolarHBondContact OG1-CD2 3.43Å; T462-H507 PolarHBondContact OG1-CE1 3.19Å; T462-H507 VanDerWaalsContact OG1-CG 3.25Å; T462-H507 PolarHBondContact OG1-ND1 2.84Å |
| 463 | P | 89.4 | Confident | 93.3 | Very high | 18 Ų | 18 | 17.5 Ų | 17.5 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | trans | -65.5 | 133.3 | -179.8 | -23.3 | 36.9 | 0 | 0 | 0 | 111.8 | L35 Y58 R413 R414 H507 | L35-P463 HydrophobicContact CD2-CB 4.46Å; L35-P463 HydrophobicContact CD2-CG 3.4Å; L35-P463 VanDerWaalsContact CD2-CG 3.4Å; Y58-P463 WeakPolarHBondContact OH-CB 3.34Å; Y58-P463 WeakPolarHBondContact OH-CG 3.32Å; R413-P463 WeakPolarHBondContact O-CA 3.3Å; R413-P463 VanDerWaalsContact O-CB 3.26Å; R413-P463 WeakPolarHBondContact O-CB 3.45Å; R414-P463 HydrophobicContact CG-CG 4.08Å; P463-H507 PolarHBondContact O-ND1 3.49Å | ||
| 464 | C | 91 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -72.5 | 124.9 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 109 | T409 L460 L466 I505 | T409-C464 HydrophobicContact CG2-CB 3.85Å; T409-C464 WeakPolarHBondContact OG1-CB 3.2Å; L460-C464 HydrophobicContact CD1-CB 4.05Å; C464-L466 PolarHBondContact SG-O 3.31Å; C464-L466 VanDerWaalsContact SG-O 3.35Å; C464-I505 HydrophobicContact CB-CG2 4.15Å | ||
| 465 | L | 89 | Confident | 92.7 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | trans | -86.3 | -37.6 | 176.6 | -56.2 | -170.6 | 0 | 0 | 0 | 112.1 | W56 Y58 I396 I506 N508 | W56-L465 HydrophobicContact CB-CD1 3.61Å; Y58-L465 HydrophobicContact CD1-CD2 3.34Å; Y58-L465 HydrophobicContact CD2-CD2 3.95Å; Y58-L465 HydrophobicContact CE1-CD2 3.11Å; Y58-L465 HydrophobicContact CE2-CD2 3.75Å; Y58-L465 HydrophobicContact CG-CD2 3.78Å; I396-L465 WeakPolarHBondContact CD1-O 3.43Å; L465-I506 HydrophobicContact CB-CG2 4.11Å; L465-I506 WeakPolarHBondContact CB-O 3.26Å; L465-I506 HydrophobicContact CD1-CG2 4.16Å; L465-I506 HydrophobicContact CG-CG2 4.46Å; L465-I506 PolarHBondContact N-O 3.14Å; L465-N508 HydrophobicContact CD1-CB 4.41Å | ||
| 466 | L | 91.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 153.8 | -179 | -79 | 178.3 | 0 | 0 | 0 | 108 | Y61 T63 L65 I66 I396 C464 I506 | Y61-L466 HydrophobicContact CD1-CD1 3.65Å; Y61-L466 HydrophobicContact CG-CD1 4.21Å; T63-L466 WeakPolarHBondContact O-CD2 3.36Å; L65-L466 HydrophobicContact CB-CD1 3.7Å; I66-L466 HydrophobicContact CG2-CB 3.85Å; I66-L466 HydrophobicContact CG2-CD1 4.44Å; I396-L466 HydrophobicContact CD1-CD2 4.23Å; I396-L466 HydrophobicContact CG2-CD2 4.46Å; C464-L466 PolarHBondContact SG-O 3.31Å; C464-L466 VanDerWaalsContact SG-O 3.35Å; L466-I506 HydrophobicContact CB-CB 4.28Å; L466-I506 HydrophobicContact CB-CD1 4.33Å; L466-I506 HydrophobicContact CD1-CD1 4.49Å; L466-I506 PolarHBondContact O-N 2.91Å |
| 467 | F | 94.3 | Very high | 91.5 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.9 | 170.5 | 67.2 | -78.4 | 0 | 0 | 0 | 112.6 | I396 A398 V407 T409 L469 I503 H504 I505 | I396-F467 HydrophobicContact CB-CE1 4.38Å; I396-F467 HydrophobicContact CG2-CD1 4.24Å; I396-F467 HydrophobicContact CG2-CE1 3.93Å; A398-F467 HydrophobicContact CB-CE2 3.64Å; A398-F467 HydrophobicContact CB-CZ 3.89Å; V407-F467 HydrophobicContact CB-CE2 3.84Å; V407-F467 HydrophobicContact CB-CZ 4.05Å; V407-F467 HydrophobicContact CG1-CD2 4.45Å; V407-F467 HydrophobicContact CG1-CE2 3.61Å; V407-F467 HydrophobicContact CG1-CZ 3.8Å; T409-F467 HydrophobicContact CG2-CD1 3.84Å; T409-F467 HydrophobicContact CG2-CE1 3.74Å; F467-L469 HydrophobicContact CD2-CD2 3.94Å; F467-L469 HydrophobicContact CD2-CG 4.23Å; F467-L469 HydrophobicContact CE2-CD2 3.86Å; F467-L469 HydrophobicContact CE2-CG 4.01Å; F467-I503 HydrophobicContact CB-CD1 4.05Å; F467-I503 HydrophobicContact CB-CG1 4.09Å; F467-I503 HydrophobicContact CD2-CD1 3.67Å; F467-I503 HydrophobicContact CD2-CG1 4.06Å; F467-I503 HydrophobicContact CE2-CD1 4.42Å; F467-I503 HydrophobicContact CG-CD1 4.05Å; F467-I503 HydrophobicContact CG-CG1 4.47Å; F467-H504 CarbonylContact C-O 3.6Å; F467-H504 WeakPolarHBondContact CA-O 3.45Å; F467-H504 VanDerWaalsContact CB-O 3.32Å; F467-H504 WeakPolarHBondContact CB-O 3.23Å; F467-I505 HydrophobicContact CB-CG1 4.37Å |
| 468 | A | 94.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I66 R68 H504 | I66-A468 HydrophobicContact CD1-CB 4.23Å; I66-A468 HydrophobicContact CG1-CB 3.98Å; I66-A468 HydrophobicContact CG2-CB 4.22Å; R68-A468 HydrophobicContact CB-CB 4.31Å; A468-H504 PolarHBondContact N-O 3.45Å; A468-H504 PolarHBondContact O-N 3.02Å |
| 469 | L | 94.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141 | 177 | -61.9 | 177.3 | 0 | 0 | 0 | 111 | A398 D400 V407 F467 I503 | A398-L469 HydrophobicContact CB-CD1 3.85Å; A398-L469 HydrophobicContact CB-CG 4.13Å; D400-L469 HydrophobicContact CB-CD1 4.42Å; V407-L469 HydrophobicContact CB-CD1 4.26Å; V407-L469 HydrophobicContact CB-CD2 4.23Å; V407-L469 HydrophobicContact CG1-CD2 4.41Å; V407-L469 HydrophobicContact CG2-CD1 3.94Å; V407-L469 HydrophobicContact CG2-CD2 3.91Å; F467-L469 HydrophobicContact CD2-CD2 3.94Å; F467-L469 HydrophobicContact CD2-CG 4.23Å; F467-L469 HydrophobicContact CE2-CD2 3.86Å; F467-L469 HydrophobicContact CE2-CG 4.01Å; L469-I503 HydrophobicContact CD2-CB 4.49Å; L469-I503 HydrophobicContact CD2-CD1 4.2Å; L469-I503 HydrophobicContact CD2-CG1 4.16Å |
| 470 | G | 92.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -146.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | R401 D502 | R401-G470 PolarHBondContact NH1-O 3.42Å; G470-D502 PolarHBondContact N-O 3.07Å |
| 471 | P | 89.1 | Confident | 84 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 147.5 | 163.7 | -22 | 34.2 | 0 | 0 | 0 | 112.9 | D502 | P471-D502 PolarHBondContact O-N 3.32Å; P471-D502 VanDerWaalsContact O-N 3.09Å |
| 472 | S | 91.5 | Very high | 81.7 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 150.8 | 165.3 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | D400 | D400-S472 WeakPolarHBondContact OD2-CB 3.21Å; D400-S472 PolarHBondContact OD2-OG 3.05Å |
| 473 | S | 90.9 | Very high | 79.2 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 145.8 | 169.1 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | I499 C500 | S473-I499 WeakPolarHBondContact O-CA 3.42Å; S473-C500 PolarHBondContact N-O 3.5Å; S473-C500 PolarHBondContact O-N 2.87Å |
| 474 | R | 91.5 | Very high | 76.9 | Confident | 79 Ų | 79 | 62 Ų | 62 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.8 | 175.4 | 177.7 | 179.5 | -68.1 | -115.2 | 7 | 107.8 | F405 E420 D497 Q498 I499 | F405-R474 VanDerWaalsContact CZ-NH2 3.29Å; E420-R474 IonicContact OE1-CZ 3.83Å; E420-R474 VanDerWaalsContact OE1-CZ 3.28Å; E420-R474 IonicContact OE1-NH1 3.32Å; E420-R474 PolarHBondContact OE1-NH1 2.72Å; E420-R474 IonicContact OE1-NH2 3.83Å; E420-R474 PolarHBondContact OE1-NH2 2.8Å; R474-D497 WeakPolarHBondContact CD-OD2 3.48Å; R474-D497 HydrophobicContact CG-CB 3.97Å; R474-D497 IonicContact CZ-OD2 3.04Å; R474-D497 IonicContact NE-OD2 2.62Å; R474-D497 IonicContact NH1-OD2 3.57Å; R474-D497 PolarHBondContact NH1-OD2 3.13Å; R474-Q498 CarbonylContact C-O 3.57Å; R474-Q498 WeakPolarHBondContact CA-O 3.3Å; R474-I499 HydrophobicContact CB-CD1 3.9Å; R474-I499 HydrophobicContact CG-CD1 3.67Å |
| 475 | K | 89.5 | Confident | 74.4 | Confident | 137 Ų | 137 | 69.5 Ų | 69.5 | 60% | 0.596 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117 | -179.2 | -67.6 | -179.3 | -178.7 | 176.6 | 0 | 110.3 | K477 Q498 | K475-K477 PolarHBondContact O-N 3.41Å; K475-Q498 PolarHBondContact N-O 3.41Å; K475-Q498 PolarHBondContact O-N 3.42Å |
| 476 | A | 86.2 | Confident | 72 | Confident | 63 Ų | 63 | 79 Ų | 79 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V494 | A476-V494 HydrophobicContact CB-CG1 3.74Å; A476-V494 HydrophobicContact CB-CG2 4.11Å |
| 477 | K | 80.9 | Confident | 69.6 | Low | 97 Ų | 97 | 86.8 Ų | 86.8 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 107.9 | -178.1 | -169 | -177.8 | -179.1 | -165.9 | 0 | 108.8 | K475 L495 T496 D519 | K475-K477 PolarHBondContact O-N 3.41Å; K477-L495 PolarHBondContact O-N 2.64Å; K477-T496 WeakPolarHBondContact CB-O 3.41Å; K477-T496 PolarHBondContact N-O 3.43Å; K477-D519 IonicContact NZ-OD2 3.81Å; K477-D519 PolarHBondContact NZ-OD2 2.95Å |
| 478 | I | 74.6 | Confident | 67.1 | Low | 84 Ų | 84 | 95 Ų | 95 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.3 | 175.4 | -58.5 | 169.8 | 0 | 0 | 0 | 108.3 | V480 V494 | I478-V480 HydrophobicContact CG2-CG2 4.19Å; I478-V480 PolarHBondContact O-N 3.09Å; I478-V480 VanDerWaalsContact O-N 3.12Å; I478-V494 HydrophobicContact CG1-CG2 4.14Å |
| 479 | G | 58.2 | Low | 64.8 | Low | 47 Ų | 47 | 100.8 Ų | 100.8 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | trans | -72.1 | 100.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 480 | V | 47.9 | Very low | 62.7 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 74% | 0.739 | 56% | 0.564 | S | S | * | * | trans | -114.9 | 93 | 170.2 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | I478 P482 | I478-V480 HydrophobicContact CG2-CG2 4.19Å; I478-V480 PolarHBondContact O-N 3.09Å; I478-V480 VanDerWaalsContact O-N 3.12Å; V480-P482 WeakPolarHBondContact O-CD 3.41Å | ||
| 481 | D | 45.8 | Very low | 60.5 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | trans | -89.4 | 112.4 | -178.6 | -168.9 | 20.2 | 0 | 0 | 0 | 109.9 | L483 S484 | D481-L483 PolarHBondContact O-N 3.19Å; D481-S484 VanDerWaalsContact OD2-CB 3.25Å; D481-S484 WeakPolarHBondContact OD2-CB 3.45Å; D481-S484 PolarHBondContact OD2-OG 3.36Å | ||
| 482 | P | 42.9 | Very low | 58.8 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 75% | 0.747 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -6.8 | -163.8 | -23 | 35.1 | 0 | 0 | 0 | 116.8 | V480 | V480-P482 WeakPolarHBondContact O-CD 3.41Š|
| 483 | L | 37.2 | Very low | 57.4 | Low | 156 Ų | 156 | 119.5 Ų | 119.5 | 82% | 0.817 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | -6.3 | -168.5 | -71.6 | 169.8 | 0 | 0 | 0 | 115.3 | D481 I485 | D481-L483 PolarHBondContact O-N 3.19Å; L483-I485 PolarHBondContact O-N 3.03Å; L483-I485 VanDerWaalsContact O-N 3.16Å |
| 484 | S | 42.1 | Very low | 56.1 | Low | 83 Ų | 83 | 118.6 Ų | 118.6 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | trans | -93.5 | 57.1 | -169.3 | -65.8 | 0 | 0 | 0 | 0 | 114.2 | D481 K486 | D481-S484 VanDerWaalsContact OD2-CB 3.25Å; D481-S484 WeakPolarHBondContact OD2-CB 3.45Å; D481-S484 PolarHBondContact OD2-OG 3.36Å; S484-K486 PolarHBondContact O-N 3.49Å | ||
| 485 | I | 37 | Very low | 55.5 | Low | 159 Ų | 159 | 119.6 Ų | 119.6 | 82% | 0.815 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 84.2 | 176.9 | -51.6 | 176.6 | 0 | 0 | 0 | 110.8 | L483 | L483-I485 PolarHBondContact O-N 3.03Å; L483-I485 VanDerWaalsContact O-N 3.16Å |
| 486 | K | 38.2 | Very low | 55.5 | Low | 203 Ų | 203 | 115 Ų | 115 | 88% | 0.883 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.2 | 39.6 | 148.3 | -103.5 | 164.3 | -174.2 | 176.3 | 0 | 117.6 | S484 | S484-K486 PolarHBondContact O-N 3.49Š|
| 487 | E | 42.3 | Very low | 55.7 | Low | 172 Ų | 172 | 112.3 Ų | 112.3 | 80% | 0.804 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -142.7 | 148.8 | 163.8 | -126.1 | 165.2 | -136.9 | 0 | 0 | 113.2 | I489 | E487-I489 VanDerWaalsContact C-N 3.25Å; E487-I489 PolarHBondContact O-N 3.48Å |
| 488 | K | 40.8 | Very low | 56.3 | Low | 188 Ų | 188 | 111 Ų | 111 | 82% | 0.817 | 59% | 0.586 | S | S | * | * | trans | -81 | 70.9 | -179.5 | -83.7 | -171.7 | 172.4 | -178.1 | 0 | 110.7 | ||||
| 489 | I | 46.5 | Very low | 57.3 | Low | 130 Ų | 130 | 107 Ų | 107 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | trans | -85 | 132.5 | 165.6 | -57.9 | 178.6 | 0 | 0 | 0 | 108.1 | E487 P491 | E487-I489 VanDerWaalsContact C-N 3.25Å; E487-I489 PolarHBondContact O-N 3.48Å; I489-P491 WeakPolarHBondContact O-CD 3.19Å | ||
| 490 | D | 50.9 | Low | 59 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | trans | -69 | 116.9 | -176.9 | -148.9 | -24.2 | 0 | 0 | 0 | 110 | H492 K493 | D490-H492 PolarHBondContact O-N 3.25Å; D490-K493 PolarHBondContact O-N 3.23Å; D490-K493 VanDerWaalsContact O-N 3.1Å | ||
| 491 | P | 46.8 | Very low | 61.3 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 8.1 | -164.9 | 28.2 | -37.2 | 0 | 0 | 0 | 115.3 | I489 | I489-P491 WeakPolarHBondContact O-CD 3.19Š|
| 492 | H | 53.6 | Low | 63.6 | Low | 149 Ų | 149 | 97 Ų | 97 | 69% | 0.69 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 1.5 | 176.6 | -64.5 | -58.8 | 0 | 0 | 0 | 114 | D490 V494 | D490-H492 PolarHBondContact O-N 3.25Å; H492-V494 PolarHBondContact O-N 3.1Å; H492-V494 VanDerWaalsContact O-N 3.08Å |
| 493 | K | 62.1 | Low | 66.2 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | trans | -74 | 103.1 | 179.9 | -162.2 | 171.3 | -174.1 | 179 | 0 | 111.3 | D490 L495 | D490-K493 PolarHBondContact O-N 3.23Å; D490-K493 VanDerWaalsContact O-N 3.1Å; K493-L495 HydrophobicContact CG-CD2 4.5Å; K493-L495 PolarHBondContact O-N 2.92Å | ||
| 494 | V | 63.9 | Low | 68.9 | Low | 35 Ų | 35 | 84.3 Ų | 84.3 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 128.9 | 166 | -179 | 0 | 0 | 0 | 0 | 108.4 | A476 I478 H492 H522 | A476-V494 HydrophobicContact CB-CG1 3.74Å; A476-V494 HydrophobicContact CB-CG2 4.11Å; I478-V494 HydrophobicContact CG1-CG2 4.14Å; H492-V494 PolarHBondContact O-N 3.1Å; H492-V494 VanDerWaalsContact O-N 3.08Å; V494-H522 HydrophobicContact CG1-CB 3.85Å |
| 495 | L | 78.5 | Confident | 71.4 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -38.3 | -178.9 | -64.8 | 177.8 | 0 | 0 | 0 | 112.1 | K477 K493 H522 | K477-L495 PolarHBondContact O-N 2.64Å; K493-L495 HydrophobicContact CG-CD2 4.5Å; K493-L495 PolarHBondContact O-N 2.92Å; L495-H522 PolarHBondContact O-N 2.82Å |
| 496 | T | 88.6 | Confident | 74.1 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151.6 | -173.6 | 44 | 0 | 0 | 0 | 0 | 112.1 | K477 D519 L520 | K477-T496 WeakPolarHBondContact CB-O 3.41Å; K477-T496 PolarHBondContact N-O 3.43Å; T496-D519 HydrophobicContact CG2-CB 4.44Å; T496-L520 CarbonylContact C-O 3.58Å; T496-L520 WeakPolarHBondContact CA-O 3.32Å; T496-L520 WeakPolarHBondContact CB-O 3.38Å; T496-L520 WeakPolarHBondContact CG2-O 3.4Å |
| 497 | D | 91 | Very high | 76.5 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.9 | 167.2 | -81.7 | -14 | 0 | 0 | 0 | 108.6 | R474 I499 L520 H522 | R474-D497 WeakPolarHBondContact CD-OD2 3.48Å; R474-D497 HydrophobicContact CG-CB 3.97Å; R474-D497 IonicContact CZ-OD2 3.04Å; R474-D497 IonicContact NE-OD2 2.62Å; R474-D497 IonicContact NH1-OD2 3.57Å; R474-D497 PolarHBondContact NH1-OD2 3.13Å; D497-I499 HydrophobicContact CB-CD1 4.23Å; D497-I499 PolarHBondContact O-N 3.33Å; D497-L520 HydrophobicContact CB-CB 4.44Å; D497-L520 PolarHBondContact N-O 3.38Å; D497-L520 PolarHBondContact O-N 3.48Å; D497-H522 IonicContact OD1-CE1 2.67Å; D497-H522 IonicContact OD1-CG 3.19Å; D497-H522 IonicContact OD1-ND1 2.72Å; D497-H522 PolarHBondContact OD1-ND1 2.84Å; D497-H522 IonicContact OD2-ND1 2.8Å |
| 498 | Q | 93.6 | Very high | 78.5 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.6 | 170.1 | 178.4 | 156.9 | 102.7 | 0 | 0 | 110.1 | R474 K475 D519 | R474-Q498 CarbonylContact C-O 3.57Å; R474-Q498 WeakPolarHBondContact CA-O 3.3Å; K475-Q498 PolarHBondContact N-O 3.41Å; K475-Q498 PolarHBondContact O-N 3.42Å; Q498-D519 WeakPolarHBondContact CA-OD1 3.35Å; Q498-D519 VanDerWaalsContact CB-OD1 3.28Å; Q498-D519 WeakPolarHBondContact CB-OD1 3.37Å; Q498-D519 VanDerWaalsContact CG-OD1 3.28Å; Q498-D519 WeakPolarHBondContact CG-OD1 3.36Å; Q498-D519 PolarHBondContact NE2-OD1 3.43Å |
| 499 | I | 95.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.4 | 176 | -47.9 | -53.9 | 0 | 0 | 0 | 109.1 | F405 S473 R474 D497 L501 R517 F518 L520 | F405-I499 HydrophobicContact CD2-CG2 4.42Å; F405-I499 HydrophobicContact CE2-CD1 4.06Å; F405-I499 HydrophobicContact CE2-CG1 4.36Å; F405-I499 HydrophobicContact CE2-CG2 3.72Å; F405-I499 HydrophobicContact CZ-CB 4.41Å; F405-I499 HydrophobicContact CZ-CD1 3.68Å; F405-I499 HydrophobicContact CZ-CG1 3.74Å; F405-I499 HydrophobicContact CZ-CG2 3.77Å; S473-I499 WeakPolarHBondContact O-CA 3.42Å; R474-I499 HydrophobicContact CB-CD1 3.9Å; R474-I499 HydrophobicContact CG-CD1 3.67Å; D497-I499 HydrophobicContact CB-CD1 4.23Å; D497-I499 PolarHBondContact O-N 3.33Å; I499-L501 HydrophobicContact CG2-CD2 4.01Å; I499-L501 HydrophobicContact CG2-CG 4.04Å; I499-R517 WeakPolarHBondContact O-CA 3.46Å; I499-F518 HydrophobicContact CB-CD1 4.23Å; I499-F518 HydrophobicContact CB-CD2 4.16Å; I499-F518 HydrophobicContact CB-CE1 3.91Å; I499-F518 HydrophobicContact CB-CE2 3.85Å; I499-F518 HydrophobicContact CB-CG 4.36Å; I499-F518 HydrophobicContact CB-CZ 3.72Å; I499-F518 HydrophobicContact CG1-CD2 4.16Å; I499-F518 HydrophobicContact CG1-CE2 3.73Å; I499-F518 HydrophobicContact CG1-CZ 4.02Å; I499-F518 HydrophobicContact CG2-CE1 3.8Å; I499-F518 HydrophobicContact CG2-CE2 4.23Å; I499-F518 HydrophobicContact CG2-CZ 3.63Å; I499-F518 PolarHBondContact N-O 2.69Å; I499-F518 PolarHBondContact O-N 3.42Å; I499-F518 VanDerWaalsContact O-N 3.14Å; I499-L520 HydrophobicContact CD1-CD1 4.07Å; I499-L520 HydrophobicContact CG1-CD1 3.73Å; I499-L520 HydrophobicContact CG1-CG 4.02Å |
| 500 | C | 95.2 | Very high | 82.9 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.142 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.3 | 166.7 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | S473 I516 R517 | S473-C500 PolarHBondContact N-O 3.5Å; S473-C500 PolarHBondContact O-N 2.87Å; C500-I516 WeakPolarHBondContact CA-O 3.24Å; C500-R517 HydrophobicContact CB-CG 3.88Å; C500-R517 WeakPolarHBondContact SG-CG 3.4Å |
| 501 | L | 95.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.6 | 175.7 | -55.8 | 178.8 | 0 | 0 | 0 | 109.3 | F405 V407 T418 I499 T515 I516 F518 | F405-L501 HydrophobicContact CD2-CD2 4.19Å; V407-L501 HydrophobicContact CG2-CD1 3.94Å; T418-L501 HydrophobicContact CG2-CD1 4.01Å; I499-L501 HydrophobicContact CG2-CD2 4.01Å; I499-L501 HydrophobicContact CG2-CG 4.04Å; L501-T515 CarbonylContact O-C 3.47Å; L501-T515 WeakPolarHBondContact O-CA 3.37Å; L501-I516 HydrophobicContact CB-CB 4.42Å; L501-I516 PolarHBondContact N-O 2.91Å; L501-I516 PolarHBondContact O-N 2.85Å; L501-F518 HydrophobicContact CD1-CE1 4.19Å; L501-F518 HydrophobicContact CG-CE1 4.47Å |
| 502 | D | 94.8 | Very high | 87.2 | Confident | 45 Ų | 45 | 43 Ų | 43 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.5 | 168.5 | -76.8 | 17.6 | 0 | 0 | 0 | 109.5 | R68 G470 P471 T515 | R68-D502 IonicContact NH1-OD2 2.77Å; G470-D502 PolarHBondContact N-O 3.07Å; P471-D502 PolarHBondContact O-N 3.32Å; P471-D502 VanDerWaalsContact O-N 3.09Å; D502-T515 WeakPolarHBondContact OD1-CG2 3.23Å |
| 503 | I | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.7 | -177.9 | -166.4 | 169.9 | 0 | 0 | 0 | 112.4 | L416 F467 L469 I505 G514 I516 | L416-I503 HydrophobicContact CD1-CD1 3.5Å; L416-I503 VanDerWaalsContact CD1-CD1 3.5Å; F467-I503 HydrophobicContact CB-CD1 4.05Å; F467-I503 HydrophobicContact CB-CG1 4.09Å; F467-I503 HydrophobicContact CD2-CD1 3.67Å; F467-I503 HydrophobicContact CD2-CG1 4.06Å; F467-I503 HydrophobicContact CE2-CD1 4.42Å; F467-I503 HydrophobicContact CG-CD1 4.05Å; F467-I503 HydrophobicContact CG-CG1 4.47Å; L469-I503 HydrophobicContact CD2-CB 4.49Å; L469-I503 HydrophobicContact CD2-CD1 4.2Å; L469-I503 HydrophobicContact CD2-CG1 4.16Å; I503-I505 HydrophobicContact CD1-CD1 4.18Å; I503-I505 HydrophobicContact CD1-CG1 3.97Å; I503-I505 HydrophobicContact CG1-CD1 4.42Å; I503-I505 HydrophobicContact CG1-CG1 3.87Å; I503-I505 HydrophobicContact CG2-CD1 4.18Å; I503-I505 HydrophobicContact CG2-CG1 4.3Å; I503-G514 PolarHBondContact N-O 2.88Å; I503-G514 PolarHBondContact O-N 3.28Å; I503-I516 HydrophobicContact CD1-CD1 4.12Å; I503-I516 HydrophobicContact CG2-CD1 4.16Å; I503-I516 HydrophobicContact CG2-CG1 3.93Å |
| 504 | H | 95.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.1 | 173.4 | -50.6 | -66.3 | 0 | 0 | 0 | 108.3 | I66 R68 I75 F467 A468 L512 N513 | I66-H504 HydrophobicContact CD1-CB 3.97Å; R68-H504 PolarHBondContact NH1-NE2 2.94Å; I75-H504 HydrophobicContact CD1-CB 4.06Å; I75-H504 VanDerWaalsContact CD1-CG 3.46Å; I75-H504 VanDerWaalsContact CD1-ND1 3.31Å; I75-H504 WeakPolarHBondContact CD1-ND1 3.31Å; F467-H504 CarbonylContact C-O 3.6Å; F467-H504 WeakPolarHBondContact CA-O 3.45Å; F467-H504 VanDerWaalsContact CB-O 3.32Å; F467-H504 WeakPolarHBondContact CB-O 3.23Å; A468-H504 PolarHBondContact N-O 3.45Å; A468-H504 PolarHBondContact O-N 3.02Å; H504-L512 CarbonylContact C-O 3.55Å; H504-L512 WeakPolarHBondContact CA-O 3.46Å; H504-N513 WeakPolarHBondContact CE1-CA 3.21Å; H504-N513 WeakPolarHBondContact CE1-CB 3.44Å; H504-N513 PolarHBondContact CE1-OD1 2.54Å; H504-N513 PolarHBondContact ND1-OD1 2.95Å; H504-N513 PolarHBondContact NE2-OD1 2.96Å |
| 505 | I | 94.3 | Very high | 92 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.7 | -169.5 | -63.2 | 175.5 | 0 | 0 | 0 | 109.3 | C464 F467 I503 H507 L511 L512 | C464-I505 HydrophobicContact CB-CG2 4.15Å; F467-I505 HydrophobicContact CB-CG1 4.37Å; I503-I505 HydrophobicContact CD1-CD1 4.18Å; I503-I505 HydrophobicContact CD1-CG1 3.97Å; I503-I505 HydrophobicContact CG1-CD1 4.42Å; I503-I505 HydrophobicContact CG1-CG1 3.87Å; I503-I505 HydrophobicContact CG2-CD1 4.18Å; I503-I505 HydrophobicContact CG2-CG1 4.3Å; I505-H507 VanDerWaalsContact CG2-CE1 3.44Å; I505-H507 WeakPolarHBondContact CG2-CE1 3.35Å; I505-H507 WeakPolarHBondContact CG2-NE2 3.43Å; I505-L511 CarbonylContact O-C 3.6Å; I505-L511 WeakPolarHBondContact O-CA 3.41Å; I505-L512 HydrophobicContact CB-CB 4.47Å; I505-L512 PolarHBondContact N-O 3.42Å; I505-L512 PolarHBondContact O-N 3.41Å |
| 506 | I | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.7 | 165.7 | -68 | 175.4 | 0 | 0 | 0 | 108.5 | W56 I66 L465 L466 L511 | W56-I506 HydrophobicContact CB-CG2 3.92Å; W56-I506 HydrophobicContact CD2-CG2 3.46Å; W56-I506 VanDerWaalsContact CD2-CG2 3.46Å; W56-I506 HydrophobicContact CE3-CG2 4.06Å; W56-I506 HydrophobicContact CG-CG2 3.39Å; W56-I506 HydrophobicContact CZ2-CD1 4.46Å; W56-I506 HydrophobicContact CZ2-CG1 4.43Å; I66-I506 HydrophobicContact CB-CD1 3.84Å; I66-I506 HydrophobicContact CD1-CD1 4.11Å; I66-I506 HydrophobicContact CD1-CG1 4.07Å; I66-I506 HydrophobicContact CG1-CD1 4.41Å; I66-I506 HydrophobicContact CG2-CD1 4.27Å; L465-I506 HydrophobicContact CB-CG2 4.11Å; L465-I506 WeakPolarHBondContact CB-O 3.26Å; L465-I506 HydrophobicContact CD1-CG2 4.16Å; L465-I506 HydrophobicContact CG-CG2 4.46Å; L465-I506 PolarHBondContact N-O 3.14Å; L466-I506 HydrophobicContact CB-CB 4.28Å; L466-I506 HydrophobicContact CB-CD1 4.33Å; L466-I506 HydrophobicContact CD1-CD1 4.49Å; L466-I506 PolarHBondContact O-N 2.91Å; I506-L511 HydrophobicContact CD1-CD1 4.48Å; I506-L511 HydrophobicContact CG1-CD1 3.65Å |
| 507 | H | 89 | Confident | 93.1 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | trans | -111.2 | 170.5 | 163.2 | -62.9 | -62.5 | 0 | 0 | 0 | 109.6 | W56 T462 P463 I505 R509 N510 L512 | W56-H507 VanDerWaalsContact CE3-O 3.25Å; T462-H507 PolarHBondContact O-CE1 1.82Å; T462-H507 PolarHBondContact OG1-CD2 3.43Å; T462-H507 PolarHBondContact OG1-CE1 3.19Å; T462-H507 VanDerWaalsContact OG1-CG 3.25Å; T462-H507 PolarHBondContact OG1-ND1 2.84Å; P463-H507 PolarHBondContact O-ND1 3.49Å; I505-H507 VanDerWaalsContact CG2-CE1 3.44Å; I505-H507 WeakPolarHBondContact CG2-CE1 3.35Å; I505-H507 WeakPolarHBondContact CG2-NE2 3.43Å; H507-R509 PolarHBondContact O-N 3.14Å; H507-N510 PolarHBondContact N-O 2.99Å; H507-N510 PolarHBondContact O-N 3.34Å; H507-L512 VanDerWaalsContact CD2-CD1 3.41Å; H507-L512 WeakPolarHBondContact CD2-CD1 3.44Å | ||
| 508 | N | 83.9 | Confident | 93.3 | Very high | 50 Ų | 50 | 29.3 Ų | 29.3 | 27% | 0.267 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -54.6 | -20.2 | -178 | 69.8 | -8 | 0 | 0 | 0 | 115.9 | F55 W56 L465 | F55-N508 WeakPolarHBondContact CA-O 3.49Å; F55-N508 WeakPolarHBondContact CD2-O 3.47Å; W56-N508 PolarHBondContact N-O 3.01Å; W56-N508 WeakPolarHBondContact O-CA 3.26Å; L465-N508 HydrophobicContact CD1-CB 4.41Å |
| 509 | R | 87.1 | Confident | 93.3 | Very high | 163 Ų | 163 | 28.6 Ų | 28.6 | 62% | 0.615 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -128.2 | -11.3 | -177.6 | -74 | -178.4 | 173.8 | -170.3 | -1.5 | 115.4 | Y54 F55 H507 | Y54-R509 PolarHBondContact N-O 2.77Å; Y54-R509 VanDerWaalsContact N-O 3.13Å; Y54-R509 CarbonylContact O-C 3.53Å; Y54-R509 WeakPolarHBondContact O-CA 3.37Å; F55-R509 HydrophobicContact CD2-CG 4.15Å; H507-R509 PolarHBondContact O-N 3.14Å |
| 510 | N | 92.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 28% | 0.283 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.6 | -174.7 | -57.8 | -71.9 | 0 | 0 | 0 | 112.4 | V52 H507 L512 | V52-N510 CarbonylContact O-C 3.58Å; V52-N510 VanDerWaalsContact O-CA 3.25Å; V52-N510 WeakPolarHBondContact O-CA 3.48Å; H507-N510 PolarHBondContact N-O 2.99Å; H507-N510 PolarHBondContact O-N 3.34Å; N510-L512 HydrophobicContact CB-CD2 3.69Å; N510-L512 HydrophobicContact CB-CG 4.47Å |
| 511 | L | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.9 | 152.4 | -178.9 | 74.4 | 0 | 0 | 0 | 107.3 | A51 V52 W56 I66 Y77 I505 I506 | A51-L511 HydrophobicContact CB-CD2 4.35Å; A51-L511 PolarHBondContact N-O 3.5Å; V52-L511 HydrophobicContact CB-CB 3.94Å; V52-L511 HydrophobicContact CB-CD2 4.42Å; V52-L511 HydrophobicContact CG2-CB 4.35Å; V52-L511 HydrophobicContact CG2-CD2 3.91Å; V52-L511 PolarHBondContact N-O 3.29Å; V52-L511 PolarHBondContact O-N 3.32Å; W56-L511 HydrophobicContact CH2-CB 3.75Å; W56-L511 HydrophobicContact CZ2-CB 4.35Å; W56-L511 HydrophobicContact CZ3-CB 4.46Å; W56-L511 VanDerWaalsContact CZ3-N 3.31Å; I66-L511 HydrophobicContact CD1-CD1 3.6Å; Y77-L511 HydrophobicContact CD1-CD2 4.08Å; Y77-L511 HydrophobicContact CE1-CD2 4.08Å; I505-L511 CarbonylContact O-C 3.6Å; I505-L511 WeakPolarHBondContact O-CA 3.41Å; I506-L511 HydrophobicContact CD1-CD1 4.48Å; I506-L511 HydrophobicContact CG1-CD1 3.65Å |
| 512 | L | 93.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140 | 172.7 | -51.3 | -172.4 | 0 | 0 | 0 | 110 | I48 Q49 P50 H504 I505 H507 N510 | I48-L512 HydrophobicContact CB-CB 4.42Å; I48-L512 HydrophobicContact CB-CD1 4.08Å; I48-L512 HydrophobicContact CD1-CD1 3.69Å; I48-L512 HydrophobicContact CG1-CD1 4.41Å; I48-L512 HydrophobicContact CG2-CB 4.34Å; I48-L512 HydrophobicContact CG2-CD1 4.33Å; Q49-L512 CarbonylContact O-C 3.6Å; Q49-L512 WeakPolarHBondContact O-CA 3.47Å; P50-L512 HydrophobicContact CB-CD2 4.05Å; P50-L512 HydrophobicContact CG-CD2 4.04Å; H504-L512 CarbonylContact C-O 3.55Å; H504-L512 WeakPolarHBondContact CA-O 3.46Å; I505-L512 HydrophobicContact CB-CB 4.47Å; I505-L512 PolarHBondContact N-O 3.42Å; I505-L512 PolarHBondContact O-N 3.41Å; H507-L512 VanDerWaalsContact CD2-CD1 3.41Å; H507-L512 WeakPolarHBondContact CD2-CD1 3.44Å; N510-L512 HydrophobicContact CB-CD2 3.69Å; N510-L512 HydrophobicContact CB-CG 4.47Å |
| 513 | N | 93.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137 | 164.6 | -176.3 | 15.4 | 0 | 0 | 0 | 108.3 | I48 Q49 A51 H504 | I48-N513 CarbonylContact C-O 3.58Å; I48-N513 WeakPolarHBondContact CA-O 3.29Å; Q49-N513 PolarHBondContact N-O 3.13Å; Q49-N513 PolarHBondContact O-N 3.01Å; A51-N513 HydrophobicContact CB-CB 4.3Å; H504-N513 WeakPolarHBondContact CE1-CA 3.21Å; H504-N513 WeakPolarHBondContact CE1-CB 3.44Å; H504-N513 PolarHBondContact CE1-OD1 2.54Å; H504-N513 PolarHBondContact ND1-OD1 2.95Å; H504-N513 PolarHBondContact NE2-OD1 2.96Å |
| 514 | G | 91.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S47 I503 | S47-G514 CarbonylContact O-C 3.58Å; S47-G514 WeakPolarHBondContact O-CA 3.38Å; I503-G514 PolarHBondContact N-O 2.88Å; I503-G514 PolarHBondContact O-N 3.28Å |
| 515 | T | 95.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.172 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.3 | -179.9 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | S47 L501 D502 R517 | S47-T515 PolarHBondContact N-O 3.24Å; S47-T515 PolarHBondContact O-N 2.95Å; L501-T515 CarbonylContact O-C 3.47Å; L501-T515 WeakPolarHBondContact O-CA 3.37Å; D502-T515 WeakPolarHBondContact OD1-CG2 3.23Å; T515-R517 PolarHBondContact OG1-NH1 2.91Å |
| 516 | I | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.8 | 173.2 | -44.7 | 172 | 0 | 0 | 0 | 106.7 | I46 L416 F458 C500 L501 I503 F518 | I46-I516 HydrophobicContact CG1-CG1 4.4Å; I46-I516 HydrophobicContact CG1-CG2 4.19Å; L416-I516 HydrophobicContact CD1-CD1 3.76Å; L416-I516 HydrophobicContact CD2-CD1 3.63Å; L416-I516 HydrophobicContact CG-CD1 4.39Å; F458-I516 HydrophobicContact CD1-CG2 4.41Å; F458-I516 HydrophobicContact CD2-CG2 4.44Å; F458-I516 HydrophobicContact CE1-CG2 4.44Å; F458-I516 HydrophobicContact CE2-CG2 4.47Å; F458-I516 HydrophobicContact CG-CG2 4.41Å; F458-I516 HydrophobicContact CZ-CG2 4.47Å; C500-I516 WeakPolarHBondContact CA-O 3.24Å; L501-I516 HydrophobicContact CB-CB 4.42Å; L501-I516 PolarHBondContact N-O 2.91Å; L501-I516 PolarHBondContact O-N 2.85Å; I503-I516 HydrophobicContact CD1-CD1 4.12Å; I503-I516 HydrophobicContact CG2-CD1 4.16Å; I503-I516 HydrophobicContact CG2-CG1 3.93Å; I516-F518 HydrophobicContact CG2-CD1 4Å; I516-F518 HydrophobicContact CG2-CE1 4.3Å |
| 517 | R | 95.6 | Very high | 90.6 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 112.9 | -178.1 | -80.7 | -170.5 | -70.3 | -80.5 | -5.3 | 112.1 | K45 I499 C500 T515 | K45-R517 WeakPolarHBondContact CB-O 3.25Å; K45-R517 PolarHBondContact O-N 2.84Å; I499-R517 WeakPolarHBondContact O-CA 3.46Å; C500-R517 HydrophobicContact CB-CG 3.88Å; C500-R517 WeakPolarHBondContact SG-CG 3.4Å; T515-R517 PolarHBondContact OG1-NH1 2.91Å |
| 518 | F | 94.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152 | -178 | 60.8 | -83.8 | 0 | 0 | 0 | 110.9 | I17 F405 T418 F458 I499 L501 I516 L520 | I17-F518 HydrophobicContact CD1-CB 4.21Å; I17-F518 HydrophobicContact CD1-CD2 3.77Å; I17-F518 HydrophobicContact CD1-CG 4.38Å; F405-F518 HydrophobicContact CE1-CE2 4.39Å; F405-F518 HydrophobicContact CE1-CZ 4.14Å; T418-F518 HydrophobicContact CG2-CE1 4.16Å; T418-F518 HydrophobicContact CG2-CZ 4.29Å; T418-F518 WeakPolarHBondContact OG1-CZ 3.22Å; F458-F518 HydrophobicContact CE1-CB 3.98Å; F458-F518 HydrophobicContact CE1-CD1 4.33Å; F458-F518 HydrophobicContact CE1-CG 4.28Å; F458-F518 HydrophobicContact CE2-CD1 4.38Å; F458-F518 HydrophobicContact CZ-CB 3.9Å; F458-F518 AromaticContact CZ-CD1 3.71Å; F458-F518 HydrophobicContact CZ-CD1 3.71Å; F458-F518 HydrophobicContact CZ-CD2 4.27Å; F458-F518 HydrophobicContact CZ-CE1 4.25Å; F458-F518 AromaticContact CZ-CG 3.71Å; F458-F518 HydrophobicContact CZ-CG 3.71Å; I499-F518 HydrophobicContact CB-CD1 4.23Å; I499-F518 HydrophobicContact CB-CD2 4.16Å; I499-F518 HydrophobicContact CB-CE1 3.91Å; I499-F518 HydrophobicContact CB-CE2 3.85Å; I499-F518 HydrophobicContact CB-CG 4.36Å; I499-F518 HydrophobicContact CB-CZ 3.72Å; I499-F518 HydrophobicContact CG1-CD2 4.16Å; I499-F518 HydrophobicContact CG1-CE2 3.73Å; I499-F518 HydrophobicContact CG1-CZ 4.02Å; I499-F518 HydrophobicContact CG2-CE1 3.8Å; I499-F518 HydrophobicContact CG2-CE2 4.23Å; I499-F518 HydrophobicContact CG2-CZ 3.63Å; I499-F518 PolarHBondContact N-O 2.69Å; I499-F518 PolarHBondContact O-N 3.42Å; I499-F518 VanDerWaalsContact O-N 3.14Å; L501-F518 HydrophobicContact CD1-CE1 4.19Å; L501-F518 HydrophobicContact CG-CE1 4.47Å; I516-F518 HydrophobicContact CG2-CD1 4Å; I516-F518 HydrophobicContact CG2-CE1 4.3Å; F518-L520 HydrophobicContact CD2-CD2 4.27Å; F518-L520 HydrophobicContact CD2-CG 4.07Å; F518-L520 HydrophobicContact CE2-CD1 4.08Å; F518-L520 HydrophobicContact CE2-CD2 4.06Å; F518-L520 HydrophobicContact CE2-CG 3.84Å |
| 519 | D | 93.3 | Very high | 91 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.1 | 178.9 | -66.2 | -8.8 | 0 | 0 | 0 | 108.9 | K477 T496 Q498 | K477-D519 IonicContact NZ-OD2 3.81Å; K477-D519 PolarHBondContact NZ-OD2 2.95Å; T496-D519 HydrophobicContact CG2-CB 4.44Å; Q498-D519 WeakPolarHBondContact CA-OD1 3.35Å; Q498-D519 VanDerWaalsContact CB-OD1 3.28Å; Q498-D519 WeakPolarHBondContact CB-OD1 3.37Å; Q498-D519 VanDerWaalsContact CG-OD1 3.28Å; Q498-D519 WeakPolarHBondContact CG-OD1 3.36Å; Q498-D519 PolarHBondContact NE2-OD1 3.43Å |
| 520 | L | 92.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.1 | 172.7 | -73.4 | 174.3 | 0 | 0 | 0 | 110.8 | I17 F405 E420 T496 D497 I499 F518 H522 | I17-L520 HydrophobicContact CD1-CD2 4.18Å; I17-L520 HydrophobicContact CG2-CD2 3.92Å; F405-L520 HydrophobicContact CE1-CD1 3.93Å; F405-L520 HydrophobicContact CZ-CD1 3.89Å; E420-L520 HydrophobicContact CG-CD1 4.39Å; T496-L520 CarbonylContact C-O 3.58Å; T496-L520 WeakPolarHBondContact CA-O 3.32Å; T496-L520 WeakPolarHBondContact CB-O 3.38Å; T496-L520 WeakPolarHBondContact CG2-O 3.4Å; D497-L520 HydrophobicContact CB-CB 4.44Å; D497-L520 PolarHBondContact N-O 3.38Å; D497-L520 PolarHBondContact O-N 3.48Å; I499-L520 HydrophobicContact CD1-CD1 4.07Å; I499-L520 HydrophobicContact CG1-CD1 3.73Å; I499-L520 HydrophobicContact CG1-CG 4.02Å; F518-L520 HydrophobicContact CD2-CD2 4.27Å; F518-L520 HydrophobicContact CD2-CG 4.07Å; F518-L520 HydrophobicContact CE2-CD1 4.08Å; F518-L520 HydrophobicContact CE2-CD2 4.06Å; F518-L520 HydrophobicContact CE2-CG 3.84Å; L520-H522 PolarHBondContact O-N 3.48Å |
| 521 | P | 87.4 | Confident | 91.2 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 129.3 | 164 | -20.9 | 32.9 | 0 | 0 | 0 | 110.2 | R523 | P521-R523 PolarHBondContact O-N 3.02Å |
| 522 | H | 88 | Confident | 91.1 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -67 | 133.3 | 173.3 | -175.4 | 76.5 | 0 | 0 | 0 | 109.2 | V494 L495 D497 L520 | V494-H522 HydrophobicContact CG1-CB 3.85Å; L495-H522 PolarHBondContact O-N 2.82Å; D497-H522 IonicContact OD1-CE1 2.67Å; D497-H522 IonicContact OD1-CG 3.19Å; D497-H522 IonicContact OD1-ND1 2.72Å; D497-H522 PolarHBondContact OD1-ND1 2.84Å; D497-H522 IonicContact OD2-ND1 2.8Å; L520-H522 PolarHBondContact O-N 3.48Å |
| 523 | R | 88.3 | Confident | 90.9 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | trans | -136.4 | 124.3 | 179.7 | -56.3 | -171.6 | -160.6 | 88.9 | -25 | 110.7 | E420 I453 P521 E527 K528 | E420-R523 IonicContact OE1-NH1 2.71Å; E420-R523 IonicContact OE2-CZ 2.67Å; E420-R523 IonicContact OE2-NH1 3.89Å; E420-R523 PolarHBondContact OE2-NH1 2.71Å; E420-R523 IonicContact OE2-NH2 2.68Å; I453-R523 PolarHBondContact O-NH2 3.33Å; P521-R523 PolarHBondContact O-N 3.02Å; R523-E527 HydrophobicContact CB-CB 4.32Å; R523-K528 HydrophobicContact CB-CG 3.99Å; R523-K528 VanDerWaalsContact O-CE 3.27Å; R523-K528 WeakPolarHBondContact O-CE 3.38Å | ||
| 524 | S | 87.8 | Confident | 90.7 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | trans | -63.2 | 166.1 | 170.3 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | S526 E527 K528 | S524-S526 PolarHBondContact O-N 3.41Å; S524-E527 VanDerWaalsContact CB-OE2 3.23Å; S524-E527 WeakPolarHBondContact CB-OE2 3.42Å; S524-E527 PolarHBondContact N-OE2 3.01Å; S524-E527 PolarHBondContact O-N 2.84Å; S524-E527 WeakPolarHBondContact OG-CG 3.32Å; S524-E527 PolarHBondContact OG-N 2.83Å; S524-E527 PolarHBondContact OG-OE2 2.92Å; S524-K528 WeakPolarHBondContact O-CG 3.38Å; S524-K528 PolarHBondContact O-N 2.69Å | ||
| 525 | E | 84.9 | Confident | 90.7 | Very high | 133 Ų | 133 | 51.1 Ų | 51.1 | 62% | 0.621 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.6 | -35.5 | 172.4 | -70.4 | -162.6 | 137.9 | 0 | 0 | 112.1 | V424 K528 L529 | V424-E525 HydrophobicContact CG1-CB 4.12Å; E525-K528 PolarHBondContact O-N 3.29Å; E525-L529 VanDerWaalsContact O-CB 3.31Å; E525-L529 WeakPolarHBondContact O-CB 3.49Å; E525-L529 PolarHBondContact O-N 3.16Å |
| 526 | S | 85.5 | Confident | 90.2 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | S524 K528 L529 E530 | S524-S526 PolarHBondContact O-N 3.41Å; S526-K528 VanDerWaalsContact C-N 3.35Å; S526-L529 PolarHBondContact O-N 2.85Å; S526-E530 PolarHBondContact O-N 2.92Å |
| 527 | E | 89.5 | Confident | 89.5 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 177.2 | -69.5 | 157.9 | 124.9 | 0 | 0 | 111.4 | R523 S524 E530 I531 | R523-E527 HydrophobicContact CB-CB 4.32Å; S524-E527 VanDerWaalsContact CB-OE2 3.23Å; S524-E527 WeakPolarHBondContact CB-OE2 3.42Å; S524-E527 PolarHBondContact N-OE2 3.01Å; S524-E527 PolarHBondContact O-N 2.84Å; S524-E527 WeakPolarHBondContact OG-CG 3.32Å; S524-E527 PolarHBondContact OG-N 2.83Å; S524-E527 PolarHBondContact OG-OE2 2.92Å; E527-E530 PolarHBondContact O-N 3.42Å; E527-I531 VanDerWaalsContact O-CG1 3.3Å; E527-I531 WeakPolarHBondContact O-CG1 3.25Å; E527-I531 PolarHBondContact O-N 3.49Å |
| 528 | K | 91.3 | Very high | 88.1 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 173.1 | -71 | 174.8 | 179.3 | 173.8 | 0 | 111.6 | A422 V424 I453 R523 S524 E525 S526 I531 I532 | A422-K528 HydrophobicContact CB-CB 4.42Å; A422-K528 HydrophobicContact CB-CD 4.27Å; A422-K528 HydrophobicContact CB-CG 4.39Å; V424-K528 HydrophobicContact CG2-CB 3.71Å; I453-K528 HydrophobicContact CD1-CG 4.04Å; R523-K528 HydrophobicContact CB-CG 3.99Å; R523-K528 VanDerWaalsContact O-CE 3.27Å; R523-K528 WeakPolarHBondContact O-CE 3.38Å; S524-K528 WeakPolarHBondContact O-CG 3.38Å; S524-K528 PolarHBondContact O-N 2.69Å; E525-K528 PolarHBondContact O-N 3.29Å; S526-K528 VanDerWaalsContact C-N 3.35Å; K528-I531 PolarHBondContact O-N 3.48Å; K528-I532 WeakPolarHBondContact O-CB 3.32Å; K528-I532 WeakPolarHBondContact O-CD1 3.32Å; K528-I532 VanDerWaalsContact O-CG1 3.23Å; K528-I532 WeakPolarHBondContact O-CG1 3.28Å; K528-I532 PolarHBondContact O-N 2.94Å |
| 529 | L | 89.8 | Confident | 86.2 | Confident | 63 Ų | 63 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.4 | -173.8 | 146.4 | 0 | 0 | 0 | 111.6 | V424 K425 E525 S526 I532 A533 | V424-L529 HydrophobicContact CG1-CB 4.11Å; V424-L529 HydrophobicContact CG1-CD1 4.14Å; K425-L529 WeakPolarHBondContact O-CD1 3.38Å; E525-L529 VanDerWaalsContact O-CB 3.31Å; E525-L529 WeakPolarHBondContact O-CB 3.49Å; E525-L529 PolarHBondContact O-N 3.16Å; S526-L529 PolarHBondContact O-N 2.85Å; L529-I532 PolarHBondContact O-N 3.28Å; L529-A533 WeakPolarHBondContact O-CB 3.33Å; L529-A533 PolarHBondContact O-N 2.62Å |
| 530 | E | 90.3 | Very high | 83.9 | Confident | 119 Ų | 119 | 57.9 Ų | 57.9 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.3 | -46.4 | 175.3 | -177.3 | 171.7 | -170.3 | 0 | 0 | 112 | S526 E527 A533 N534 | S526-E530 PolarHBondContact O-N 2.92Å; E527-E530 PolarHBondContact O-N 3.42Å; E530-A533 PolarHBondContact O-N 2.96Å; E530-N534 WeakPolarHBondContact O-CB 3.27Å; E530-N534 PolarHBondContact O-N 3.34Å; E530-N534 PolarHBondContact O-ND2 3.14Å |
| 531 | I | 91.9 | Very high | 81 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 175.9 | -66.3 | 163.6 | 0 | 0 | 0 | 110.5 | I453 E527 K528 A533 N534 I535 | I453-I531 HydrophobicContact CB-CG2 4.09Å; I453-I531 HydrophobicContact CG2-CG2 3.76Å; E527-I531 VanDerWaalsContact O-CG1 3.3Å; E527-I531 WeakPolarHBondContact O-CG1 3.25Å; E527-I531 PolarHBondContact O-N 3.49Å; K528-I531 PolarHBondContact O-N 3.48Å; I531-A533 PolarHBondContact O-N 3.5Å; I531-N534 PolarHBondContact O-N 3.17Å; I531-N534 VanDerWaalsContact O-N 3.14Å; I531-I535 HydrophobicContact CG2-CD1 3.88Å; I531-I535 WeakPolarHBondContact O-CG1 3.3Å; I531-I535 PolarHBondContact O-N 3.09Å |
| 532 | I | 92.3 | Very high | 78.5 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59 | -45 | 177.6 | -72.5 | 167.4 | 0 | 0 | 0 | 111.3 | A422 V424 I449 C451 I453 K528 L529 N534 I535 L536 | A422-I532 HydrophobicContact CB-CD1 4Å; V424-I532 HydrophobicContact CB-CD1 4.41Å; V424-I532 HydrophobicContact CG2-CD1 3.81Å; I449-I532 HydrophobicContact CB-CG2 3.94Å; I449-I532 HydrophobicContact CG2-CG2 3.32Å; C451-I532 HydrophobicContact CB-CG1 4.11Å; I453-I532 HydrophobicContact CG2-CG1 4.27Å; K528-I532 WeakPolarHBondContact O-CB 3.32Å; K528-I532 WeakPolarHBondContact O-CD1 3.32Å; K528-I532 VanDerWaalsContact O-CG1 3.23Å; K528-I532 WeakPolarHBondContact O-CG1 3.28Å; K528-I532 PolarHBondContact O-N 2.94Å; L529-I532 PolarHBondContact O-N 3.28Å; I532-N534 VanDerWaalsContact C-N 3.29Å; I532-N534 PolarHBondContact O-N 2.97Å; I532-I535 PolarHBondContact O-N 3.47Å; I532-L536 HydrophobicContact CG2-CD1 4.16Å; I532-L536 WeakPolarHBondContact O-CG 3.2Å; I532-L536 PolarHBondContact O-N 2.91Å |
| 533 | A | 89.2 | Confident | 75.7 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L529 E530 I531 K537 | L529-A533 WeakPolarHBondContact O-CB 3.33Å; L529-A533 PolarHBondContact O-N 2.62Å; E530-A533 PolarHBondContact O-N 2.96Å; I531-A533 PolarHBondContact O-N 3.5Å; A533-K537 WeakPolarHBondContact O-CB 3.43Å; A533-K537 WeakPolarHBondContact O-CD 3.17Å; A533-K537 WeakPolarHBondContact O-CG 3.36Å; A533-K537 PolarHBondContact O-N 2.74Å |
| 534 | N | 89 | Confident | 72.7 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.2 | -32.1 | 177.7 | -67.8 | -20 | 0 | 0 | 0 | 112.8 | E530 I531 I532 K537 Q538 | E530-N534 WeakPolarHBondContact O-CB 3.27Å; E530-N534 PolarHBondContact O-N 3.34Å; E530-N534 PolarHBondContact O-ND2 3.14Å; I531-N534 PolarHBondContact O-N 3.17Å; I531-N534 VanDerWaalsContact O-N 3.14Å; I532-N534 VanDerWaalsContact C-N 3.29Å; I532-N534 PolarHBondContact O-N 2.97Å; N534-K537 PolarHBondContact OD1-NZ 3.26Å; N534-Q538 PolarHBondContact O-NE2 3.47Å |
| 535 | I | 91.9 | Very high | 69.8 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 168.2 | -72.2 | 165.4 | 0 | 0 | 0 | 110.5 | C451 I453 I531 I532 Q538 | C451-I535 HydrophobicContact CB-CD1 4Å; C451-I535 HydrophobicContact CB-CG2 4.43Å; I453-I535 HydrophobicContact CG2-CD1 4.39Å; I531-I535 HydrophobicContact CG2-CD1 3.88Å; I531-I535 WeakPolarHBondContact O-CG1 3.3Å; I531-I535 PolarHBondContact O-N 3.09Å; I532-I535 PolarHBondContact O-N 3.47Å; I535-Q538 WeakPolarHBondContact O-CB 3.38Å; I535-Q538 PolarHBondContact O-N 3.46Å |
| 536 | L | 86.4 | Confident | 67.1 | Low | 37 Ų | 37 | 73.6 Ų | 73.6 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -80.5 | -23.7 | -174.1 | -65.6 | 178.9 | 0 | 0 | 0 | 114.8 | L368 I449 I532 Q538 S539 S540 | L368-L536 HydrophobicContact CB-CD2 4.27Å; L368-L536 HydrophobicContact CD2-CD2 4.26Å; I449-L536 HydrophobicContact CG2-CD1 3.33Å; I532-L536 HydrophobicContact CG2-CD1 4.16Å; I532-L536 WeakPolarHBondContact O-CG 3.2Å; I532-L536 PolarHBondContact O-N 2.91Å; L536-Q538 PolarHBondContact O-N 3.23Å; L536-Q538 VanDerWaalsContact O-N 3.16Å; L536-S539 PolarHBondContact O-N 2.92Å; L536-S539 PolarHBondContact O-OG 2.87Å; L536-S539 VanDerWaalsContact O-OG 3.11Å; L536-S540 PolarHBondContact O-N 2.91Å |
| 537 | K | 79.8 | Confident | 64.3 | Low | 130 Ų | 130 | 78.8 Ų | 78.8 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.4 | -22.6 | 167.4 | -77.5 | 163.1 | -158.4 | 167 | 0 | 112.7 | A533 N534 S540 | A533-K537 WeakPolarHBondContact O-CB 3.43Å; A533-K537 WeakPolarHBondContact O-CD 3.17Å; A533-K537 WeakPolarHBondContact O-CG 3.36Å; A533-K537 PolarHBondContact O-N 2.74Å; N534-K537 PolarHBondContact OD1-NZ 3.26Å; K537-S540 PolarHBondContact O-OG 3.04Å |
| 538 | Q | 65.5 | Low | 61.3 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 28% | 0.276 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -83.7 | -31.4 | 178.2 | -68.2 | 169.3 | 51.6 | 0 | 0 | 112.8 | T2 Y21 S22 N534 I535 L536 | T2-Q538 HydrophobicContact CG2-CB 4Å; T2-Q538 WeakPolarHBondContact CG2-O 3.46Å; Y21-Q538 PolarHBondContact O-NE2 3.24Å; S22-Q538 VanDerWaalsContact CB-OE1 3.31Å; S22-Q538 PolarHBondContact OG-OE1 2.64Å; N534-Q538 PolarHBondContact O-NE2 3.47Å; I535-Q538 WeakPolarHBondContact O-CB 3.38Å; I535-Q538 PolarHBondContact O-N 3.46Å; L536-Q538 PolarHBondContact O-N 3.23Å; L536-Q538 VanDerWaalsContact O-N 3.16Å |
| 539 | S | 56 | Low | 58.3 | Low | 36 Ų | 36 | 90.6 Ų | 90.6 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -82.2 | -27.6 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | L536 M541 E542 | L536-S539 PolarHBondContact O-N 2.92Å; L536-S539 PolarHBondContact O-OG 2.87Å; L536-S539 VanDerWaalsContact O-OG 3.11Å; S539-M541 PolarHBondContact O-N 2.98Å; S539-M541 VanDerWaalsContact O-N 3.08Å; S539-E542 PolarHBondContact O-N 3.43Å; S539-E542 VanDerWaalsContact O-N 3.1Å |
| 540 | S | 44.2 | Very low | 55.3 | Low | 74 Ų | 74 | 94.8 Ų | 94.8 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.6 | -179.6 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | L536 K537 S543 | L536-S540 PolarHBondContact O-N 2.91Å; K537-S540 PolarHBondContact O-OG 3.04Å; S540-S543 PolarHBondContact O-OG 3.11Å |
| 541 | M | 31.7 | Very low | 52.3 | Low | 155 Ų | 155 | 95.8 Ų | 95.8 | 76% | 0.764 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17 | 175.1 | -67.9 | -99.9 | 71.7 | 0 | 0 | 114.3 | S539 | S539-M541 PolarHBondContact O-N 2.98Å; S539-M541 VanDerWaalsContact O-N 3.08Å |
| 542 | E | 35.2 | Very low | 49.3 | Very low | 86 Ų | 86 | 100.8 Ų | 100.8 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -101.7 | -6.9 | -178.1 | -64.6 | -145.6 | 145.4 | 0 | 0 | 114.7 | S539 S544 K1076 | S539-E542 PolarHBondContact O-N 3.43Å; S539-E542 VanDerWaalsContact O-N 3.1Å; E542-S544 VanDerWaalsContact C-N 3.29Å; E542-S544 PolarHBondContact O-N 3.02Å; E542-K1076 IonicContact OE1-NZ 2.67Å; E542-K1076 PolarHBondContact OE1-NZ 3.47Å; E542-K1076 IonicContact OE2-NZ 2.62Å; E542-K1076 PolarHBondContact OE2-NZ 2.92Å |
| 543 | S | 30.1 | Very low | 46.1 | Very low | 93 Ų | 93 | 107.8 Ų | 107.8 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | trans | -75.4 | -4.1 | -169.7 | 63.4 | 0 | 0 | 0 | 0 | 116.4 | S540 V545 | S540-S543 PolarHBondContact O-OG 3.11Å; S543-V545 PolarHBondContact O-N 3.16Å | ||
| 544 | S | 24.3 | Very low | 43.2 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | trans | -94.2 | 32.1 | -170 | -63.3 | 0 | 0 | 0 | 0 | 115.1 | E542 | E542-S544 VanDerWaalsContact C-N 3.29Å; E542-S544 PolarHBondContact O-N 3.02Å | ||
| 545 | V | 26.6 | Very low | 40.4 | Very low | 107 Ų | 107 | 113.6 Ų | 113.6 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -136.6 | 125.6 | 174.6 | -176 | 0 | 0 | 0 | 0 | 111.7 | S543 | S543-V545 PolarHBondContact O-N 3.16Š|
| 546 | H | 28.8 | Very low | 37.3 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 61% | 0.606 | 63% | 0.633 | S | S | * | * | trans | 56.1 | 65.4 | 166.3 | -74.1 | -59 | 0 | 0 | 0 | 120 | ||||
| 547 | H | 25.9 | Very low | 34.9 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 93% | 0.926 | 65% | 0.654 | S | S | * | * | trans | -83.9 | 88.4 | 131.9 | -83.1 | -48.1 | 0 | 0 | 0 | 109.5 | ||||
| 548 | Q | 27.1 | Very low | 32.4 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 62% | 0.621 | 66% | 0.664 | S | S | * | * | trans | -91.1 | 122.6 | 172.2 | -161.6 | 160.7 | 7.2 | 0 | 0 | 110 | ||||
| 549 | R | 28.7 | Very low | 30.5 | Very low | 246 Ų | 246 | 125.5 Ų | 125.5 | 93% | 0.928 | 68% | 0.682 | S | S | * | * | trans | -113.7 | 84.8 | -163.8 | -171.8 | -175.9 | -172.3 | 177.4 | 3.9 | 111.1 | ||||
| 550 | E | 26.1 | Very low | 29.3 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | trans | -138.9 | 143.2 | 173.1 | -69.8 | -173.7 | 116.6 | 0 | 0 | 108.8 | ||||
| 551 | L | 28.6 | Very low | 28.4 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | cis | -154.1 | 120 | -6.8 | -118.9 | 162.1 | 0 | 0 | 0 | 107.7 | ||||
| 552 | T | 27.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | -88.6 | 115.6 | 167.5 | 49 | 0 | 0 | 0 | 0 | 108.8 | P554 | T552-P554 WeakPolarHBondContact O-CD 3.27Š| ||
| 553 | D | 24.6 | Very low | 28 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -64.6 | 116.8 | -176.3 | -166.9 | -3.7 | 0 | 0 | 0 | 112 | ||||
| 554 | P | 29.3 | Very low | 28 | Very low | 94 Ų | 94 | 133 Ų | 133 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | trans | -115.1 | 86.8 | -173.6 | 36.6 | -21.5 | 0 | 0 | 0 | 112.4 | T552 | T552-P554 WeakPolarHBondContact O-CD 3.27Š| ||
| 555 | T | 29.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -118.8 | 105.4 | 154.5 | 36.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 556 | L | 27.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 74.3 | 146.9 | 63.6 | -69.8 | 172.8 | 0 | 0 | 0 | 113.1 | |||||
| 557 | P | 34.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -143.7 | -165.2 | -13.5 | 31.4 | -7.1 | 0 | 0 | 0 | 115.1 | ||||
| 558 | I | 28.6 | Very low | 28.1 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 96.8 | 130.1 | 153.9 | -63.3 | 154.9 | 0 | 0 | 0 | 117 | ||||
| 559 | A | 25.4 | Very low | 28 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | cis | 172.7 | -170.1 | -42.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 560 | I | 30.1 | Very low | 27.9 | Very low | 150 Ų | 150 | 128 Ų | 128 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 77.1 | 124.1 | 163.1 | -56.2 | 169.2 | 0 | 0 | 0 | 113.2 | ||||
| 561 | D | 26.6 | Very low | 27.9 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | cis | -166.6 | 178.3 | -10.3 | -121.5 | -32.2 | 0 | 0 | 0 | 107.4 | ||||
| 562 | S | 30.4 | Very low | 27.8 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | cis | -161.6 | 153.7 | 10.1 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 563 | S | 26.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 14 | 154 | 145.5 | 69.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 564 | S | 31.4 | Very low | 27.7 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -163.7 | 151.1 | 21.5 | 42.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 565 | N | 25.8 | Very low | 27.5 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | cis | 96.4 | 139.1 | 35.5 | -157.3 | 2.2 | 0 | 0 | 0 | 114.1 | ||||
| 566 | K | 28.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 87.1 | 148.4 | -177.1 | -66.4 | -175.6 | 158.8 | -140.8 | 0 | 118.7 | ||||
| 567 | D | 27.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -149.2 | 176.7 | 4.6 | -114.3 | -25.9 | 0 | 0 | 0 | 114.1 | ||||
| 568 | L | 25.5 | Very low | 26.8 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | -42.3 | 169.4 | 176.1 | -86.1 | 64.9 | 0 | 0 | 0 | 119.7 | ||||
| 569 | S | 24.9 | Very low | 26.9 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | cis | -179.8 | 168.9 | -9.2 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 570 | T | 25.3 | Very low | 26.9 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 155.2 | 163.3 | 69.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 571 | S | 27 | Very low | 26.8 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | cis | -146.5 | 172.4 | 9.1 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 572 | L | 25.9 | Very low | 26.8 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -110.8 | 153.6 | 167.3 | -112.7 | 160.6 | 0 | 0 | 0 | 109 | ||||
| 573 | P | 26.8 | Very low | 26.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | -149.9 | 166.2 | 107.5 | 39.1 | -23.3 | 0 | 0 | 0 | 115.9 | |||||
| 574 | S | 24.8 | Very low | 26.5 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 161.4 | 172.5 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 575 | F | 25.2 | Very low | 26 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -166.9 | 175.8 | 130.7 | -104.6 | -61.6 | 0 | 0 | 0 | 112.5 | ||||
| 576 | T | 23.4 | Very low | 26 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -124.8 | 150.6 | -154 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 577 | S | 26.6 | Very low | 25.9 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -164.9 | 145.3 | 142 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 578 | S | 26.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -105.1 | 174.1 | 166.6 | -49.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 579 | P | 31.5 | Very low | 25.7 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | -137.7 | 177.2 | 116.1 | 38.4 | -27.7 | 0 | 0 | 0 | 114.1 | |||||
| 580 | N | 23.8 | Very low | 25.5 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -124.7 | 159.6 | -172.1 | -169.8 | 7.9 | 0 | 0 | 0 | 109.7 | ||||
| 581 | I | 29.2 | Very low | 25.5 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 175.2 | 126 | 152.7 | -95.2 | 151.7 | 0 | 0 | 0 | 110.4 | ||||
| 582 | N | 26.2 | Very low | 25.5 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 33.4 | 149.6 | 147.8 | -46.7 | -9.6 | 0 | 0 | 0 | 121.2 | ||||
| 583 | A | 26.7 | Very low | 25.4 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | cis | -156.4 | 158.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 584 | T | 24.7 | Very low | 25.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | trans | 50.4 | 108.9 | 144.1 | -39.5 | 0 | 0 | 0 | 0 | 120.7 | Q586 | T584-Q586 HydrophobicContact CG2-CB 3.87Š| ||
| 585 | V | 21.1 | Very low | 25.5 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -82.5 | 137.2 | 138.9 | 171.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 586 | Q | 24.8 | Very low | 25.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -142.1 | 138.8 | 165.2 | -162.5 | 156.4 | 1.5 | 0 | 0 | 111.8 | T584 | T584-Q586 HydrophobicContact CG2-CB 3.87Š| ||
| 587 | E | 26 | Very low | 25.8 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -60.3 | 158.6 | -173.4 | -80.7 | 159.4 | 124.2 | 0 | 0 | 115.3 | ||||
| 588 | K | 21.9 | Very low | 25.8 | Very low | 207 Ų | 207 | 143 Ų | 143 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -97.8 | 107.2 | 168.8 | 178.7 | -162.3 | 176.5 | -165.3 | 0 | 108.8 | ||||
| 589 | V | 26.6 | Very low | 25.8 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -129.6 | 98.2 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 590 | E | 21.8 | Very low | 25.7 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 15.7 | 116.8 | 132.4 | -162.5 | 154.5 | -106 | 0 | 0 | 120 | ||||
| 591 | S | 25.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -177.2 | 124.9 | 130.5 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 592 | D | 27.1 | Very low | 25.8 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 48.9 | 113.8 | 137.5 | -53.1 | -17.5 | 0 | 0 | 0 | 123.6 | ||||
| 593 | E | 23.5 | Very low | 25.7 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | 54.7 | 148.5 | 120.4 | -94.9 | -164.4 | 174.4 | 0 | 0 | 125.8 | |||||
| 594 | V | 25.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | trans | 88.3 | 107.8 | 139.8 | 157.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 595 | L | 28 | Very low | 26.5 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 72.4 | 101.3 | 139.9 | -64.3 | 179.7 | 0 | 0 | 0 | 123.5 | ||||
| 596 | D | 25.9 | Very low | 27 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 87.6 | 140.9 | 108.3 | -99.6 | -17.7 | 0 | 0 | 0 | 126.5 | |||||
| 597 | E | 27.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 138 Ų | 138 | 52% | 0.519 | 75% | 0.745 | S | S | . | * | trans | 70.2 | 114.3 | 144.2 | -70.7 | -164.7 | -179.6 | 0 | 0 | 125.7 | ||||
| 598 | R | 28 | Very low | 27.3 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | 71.3 | 153.3 | 125.2 | -64.4 | 179.5 | -172.3 | 145.9 | 12.3 | 119.3 | |||||
| 599 | N | 26.7 | Very low | 27.6 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -165.6 | 164.8 | -10.6 | -110.6 | -11.2 | 0 | 0 | 0 | 111.5 | ||||
| 600 | S | 27.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 70 | 157.7 | 153 | -63.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 601 | A | 25.5 | Very low | 28 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -171.5 | 177.9 | -24.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 602 | E | 29.8 | Very low | 28 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | 72.2 | 119.4 | 167.7 | -52.8 | -175.9 | 175.9 | 0 | 0 | 117.1 | ||||
| 603 | T | 25.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | 82.1 | 159.6 | 17.6 | 88.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 604 | P | 38.4 | Very low | 27.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | cis | -132.1 | -172.2 | -13.3 | 36.1 | -16.4 | 0 | 0 | 0 | 114.4 | ||||
| 605 | G | 28.6 | Very low | 27.8 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -161.6 | 28.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 606 | H | 31.9 | Very low | 27.6 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 49 | 134.6 | 156.4 | -73.9 | -85.8 | 0 | 0 | 0 | 121.2 | ||||
| 607 | N | 29.7 | Very low | 28.1 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | cis | -154.9 | 151.4 | 21.7 | -87.9 | -49.1 | 0 | 0 | 0 | 112.3 | ||||
| 608 | S | 28.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 56.1 | 142.5 | 147.9 | -64 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 609 | L | 26.6 | Very low | 27.6 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | cis | -161.9 | 126.9 | -0.2 | -121.7 | 168.7 | 0 | 0 | 0 | 111.6 | ||||
| 610 | M | 26.7 | Very low | 27.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | trans | 60.2 | 160.6 | 159.8 | -72.1 | -85 | 95.3 | 0 | 0 | 120.7 | ||||
| 611 | P | 31.8 | Very low | 27.5 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | trans | -137.4 | 170.5 | -155.5 | 43.1 | -24.7 | 0 | 0 | 0 | 118.2 | ||||
| 612 | N | 25.3 | Very low | 27.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 66.3 | 142.3 | 147.4 | -75.4 | -1.8 | 0 | 0 | 0 | 123 | ||||
| 613 | L | 22.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | 80.1 | 127.8 | 155.2 | -74.5 | 161.3 | 0 | 0 | 0 | 120.8 | ||||
| 614 | L | 22.5 | Very low | 27.5 | Very low | 147 Ų | 147 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 82.2 | 156.5 | 150.4 | -115 | 70.5 | 0 | 0 | 0 | 121.6 | ||||
| 615 | E | 25.3 | Very low | 26.9 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 73.6 | 114.5 | 161.7 | -69 | -179.5 | -172.1 | 0 | 0 | 122.3 | ||||
| 616 | N | 24.3 | Very low | 26.7 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 42.5 | 144.2 | 131 | -68.6 | -21.4 | 0 | 0 | 0 | 123.7 | ||||
| 617 | P | 35.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 148 Ų | 148 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -89.5 | 154.2 | 175.7 | 37.5 | -34.5 | 0 | 0 | 0 | 113 | ||||
| 618 | L | 23.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -155 | 128.8 | 150.9 | -111.4 | 174.6 | 0 | 0 | 0 | 113 | ||||
| 619 | I | 23.1 | Very low | 26.2 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | 4.7 | 131.2 | 156.9 | -63.8 | 166.6 | 0 | 0 | 0 | 120 | E621 | I619-E621 HydrophobicContact CG2-CB 4.06Š| ||
| 620 | M | 27.3 | Very low | 26.3 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -152 | 97.2 | 138.7 | -157 | -176.3 | -51.3 | 0 | 0 | 106.5 | ||||
| 621 | E | 23.4 | Very low | 26.1 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | 76.4 | 106.1 | 66.8 | -166.2 | -176.4 | -152.7 | 0 | 0 | 114.3 | I619 | I619-E621 HydrophobicContact CG2-CB 4.06Š| |||
| 622 | I | 26.8 | Very low | 25.8 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 178.6 | 100.3 | 152.6 | -93.5 | 150.7 | 0 | 0 | 0 | 104.4 | ||||
| 623 | K | 25.5 | Very low | 25.8 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 81.9 | 97.5 | 76 | -84.2 | -167.4 | 172.1 | -173 | 0 | 115.2 | |||||
| 624 | T | 28.5 | Very low | 25.8 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 166.7 | 143.4 | 134.8 | 36.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 625 | E | 26.7 | Very low | 26 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | cis | -158.7 | 145.2 | -24.1 | -137.6 | 158.9 | -139.8 | 0 | 0 | 107.6 | ||||
| 626 | I | 24.4 | Very low | 25.9 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | -139.7 | 131.8 | 172 | -63.7 | 177.3 | 0 | 0 | 0 | 106.6 | ||||
| 627 | E | 27.5 | Very low | 25.9 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | 164.4 | 153.5 | 154.2 | -94.4 | 172.4 | -156.2 | 0 | 0 | 108.5 | ||||
| 628 | D | 26.3 | Very low | 25.2 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | cis | -170.8 | 173.3 | -32.1 | -159.1 | 6.8 | 0 | 0 | 0 | 109.7 | ||||
| 629 | N | 26.6 | Very low | 25.4 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | 66.3 | 154.5 | 155 | -72.7 | -58.1 | 0 | 0 | 0 | 120 | ||||
| 630 | S | 26.8 | Very low | 25.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -161.7 | 178.3 | -15.2 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 631 | S | 24 | Very low | 25.6 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | -54.9 | 163.6 | -177.9 | 55.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 632 | F | 25 | Very low | 25.6 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | -178.8 | 129.9 | 112.9 | -102.2 | -70.2 | 0 | 0 | 0 | 117.6 | |||||
| 633 | H | 24.8 | Very low | 25.5 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 55 | 113.8 | 143.7 | -90.9 | -137.2 | 0 | 0 | 0 | 127 | ||||
| 634 | L | 23.8 | Very low | 25.4 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | 52.6 | 117.9 | 112.8 | -83.9 | 164.8 | 0 | 0 | 0 | 124.8 | |||||
| 635 | N | 26.5 | Very low | 25.4 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 177.6 | 139.5 | 115 | -89.9 | -12.3 | 0 | 0 | 0 | 110.3 | |||||
| 636 | M | 22.3 | Very low | 25.4 | Very low | 155 Ų | 155 | 139 Ų | 139 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | 62 | 126.2 | 81.9 | -142.4 | 161.2 | 173.5 | 0 | 0 | 112 | |||||
| 637 | E | 24.1 | Very low | 25.6 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -159.4 | 164.5 | 23.8 | -152 | 167.3 | -158.5 | 0 | 0 | 113.1 | ||||
| 638 | T | 22.8 | Very low | 25.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 21 | 133.3 | 161.6 | 49.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 639 | I | 27 | Very low | 25.5 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | -175.1 | 145.3 | 117.5 | -96.2 | 157 | 0 | 0 | 0 | 111.1 | |||||
| 640 | S | 25 | Very low | 25.4 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -114.8 | 152.4 | 166.7 | -46.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 641 | P | 30.3 | Very low | 25.3 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -155.4 | 174 | 55.9 | 43 | -22.1 | 0 | 0 | 0 | 118.6 | |||||
| 642 | S | 22.8 | Very low | 25.4 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 45.7 | 138.8 | 139.6 | 69.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 643 | Q | 24.3 | Very low | 25.4 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 93.1 | 146.2 | 157.8 | -58.1 | -158.7 | -35.7 | 0 | 0 | 118.7 | ||||
| 644 | N | 24.9 | Very low | 25.4 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 72.9 | 107.4 | 171 | -58.2 | -2.7 | 0 | 0 | 0 | 118.6 | ||||
| 645 | E | 27.2 | Very low | 25.5 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 22.3 | 114.7 | 139.7 | -60.5 | 174.5 | 127.8 | 0 | 0 | 119.2 | ||||
| 646 | P | 26 | Very low | 25.3 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 128.3 | 164.6 | 32.9 | -30.3 | 0 | 0 | 0 | 111.5 | ||||
| 647 | P | 29.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 165 | 172.3 | 36.7 | -35.6 | 0 | 0 | 0 | 113 | ||||
| 648 | E | 26.6 | Very low | 25.4 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 61.6 | 156.2 | 159.6 | -70.1 | -176.2 | 138.2 | 0 | 0 | 119.6 | ||||
| 649 | A | 25 | Very low | 25.4 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 63% | 0.628 | 80% | 0.804 | S | S | * | * | trans | -122.9 | 119.6 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 650 | E | 24.9 | Very low | 25.2 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -155 | 161.4 | 154.5 | -127 | -175.1 | -152.9 | 0 | 0 | 111.2 | ||||
| 651 | K | 24.8 | Very low | 25.1 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | 63.6 | 74.3 | 173.8 | -57.3 | 170.7 | -174.2 | 167.8 | 0 | 117.7 | ||||
| 652 | L | 26.3 | Very low | 24.8 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -138.5 | 61.5 | 138.4 | -91.9 | -169.1 | 0 | 0 | 0 | 111.9 | V655 | L652-V655 HydrophobicContact CD2-CG2 4.48Š| ||
| 653 | Q | 24.5 | Very low | 24.9 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -98.5 | 65.3 | 162.2 | -171.3 | -178.7 | 10.5 | 0 | 0 | 108.7 | ||||
| 654 | N | 24.6 | Very low | 24.8 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | -177.3 | 64.8 | 169.1 | -99.1 | -22.1 | 0 | 0 | 0 | 113.4 | ||||
| 655 | V | 25.4 | Very low | 25 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -140 | 73 | 157.9 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | L652 | L652-V655 HydrophobicContact CD2-CG2 4.48Š| ||
| 656 | L | 22.7 | Very low | 25.1 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -144.5 | 38.1 | 169.9 | -137.4 | 176.3 | 0 | 0 | 0 | 111.9 | ||
| 657 | S | 23.6 | Very low | 25 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -170.7 | 96.4 | 170 | -83.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 658 | V | 24.6 | Very low | 24.8 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -167.1 | 80.7 | 133.7 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 659 | T | 23.7 | Very low | 24.7 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -168.5 | 44.4 | 148.3 | 9.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 660 | L | 21.8 | Very low | 24.7 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -90 | 161.2 | 146.1 | -97.7 | 166 | 0 | 0 | 0 | 108.1 | ||||
| 661 | L | 23.1 | Very low | 24.6 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 75.8 | -175 | -51.1 | 176 | 0 | 0 | 0 | 115.8 | ||||
| 662 | N | 24.8 | Very low | 24.6 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | -143.6 | 160.9 | 123.5 | -154.6 | -7.9 | 0 | 0 | 0 | 110.1 | |||||
| 663 | M | 24.5 | Very low | 24.7 | Very low | 165 Ų | 165 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 64.1 | 67.3 | -177.7 | -54.1 | -143.3 | -62.7 | 0 | 0 | 115.6 | ||
| 664 | N | 22.7 | Very low | 24.8 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | -150 | 91.4 | 119.2 | -112.7 | -2.8 | 0 | 0 | 0 | 110.9 | |||||
| 665 | N | 28.3 | Very low | 24.9 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 121.5 | 148.1 | -89.2 | 4.3 | 0 | 0 | 0 | 105.7 | ||||
| 666 | Q | 28.8 | Very low | 24.9 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 59 | 126.8 | 96 | -68.8 | -173.6 | -31.9 | 0 | 0 | 114.1 | |||||
| 667 | S | 25.7 | Very low | 25 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -168.9 | 178.7 | -9.8 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 668 | T | 24.1 | Very low | 25.2 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | 10.5 | 115.8 | 145.2 | 55 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 669 | E | 25.7 | Very low | 25.3 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -172 | 169.3 | 52.8 | -94 | 136 | -143.7 | 0 | 0 | 108.1 | |||||
| 670 | E | 23.1 | Very low | 25.5 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | cis | -168.1 | 128.1 | -18.1 | 170.2 | 177.3 | -139.8 | 0 | 0 | 107.9 | ||||
| 671 | L | 23.2 | Very low | 25.7 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | 54.8 | -170.8 | 166.9 | -75 | 165.7 | 0 | 0 | 0 | 118.4 | ||||
| 672 | V | 25.1 | Very low | 25.9 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | 64.7 | 82.1 | 173.9 | -164 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 673 | V | 29.6 | Very low | 26 | Very low | 139 Ų | 139 | 139 Ų | 139 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 135.1 | 144.8 | 168.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 674 | E | 26 | Very low | 26 | Very low | 118 Ų | 118 | 137 Ų | 137 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | trans | -158.8 | 129.3 | 138.4 | -132.3 | -179.2 | -130.2 | 0 | 0 | 114.5 | I676 T677 K678 | E674-I676 VanDerWaalsContact C-N 3.26Å; E674-I676 PolarHBondContact O-N 3.45Å; E674-T677 PolarHBondContact OE2-N 2.9Å; E674-K678 PolarHBondContact OE2-N 3.34Å | ||
| 675 | S | 27 | Very low | 26.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -79.1 | 83 | 146.9 | -71.3 | 0 | 0 | 0 | 0 | 108.3 | T677 | S675-T677 PolarHBondContact O-N 3.29Š|
| 676 | I | 24.4 | Very low | 26.2 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 23.4 | 83.8 | 165.9 | -45.7 | 174.1 | 0 | 0 | 0 | 116.3 | E674 | E674-I676 VanDerWaalsContact C-N 3.26Å; E674-I676 PolarHBondContact O-N 3.45Å |
| 677 | T | 25.5 | Very low | 26 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -159 | 67.5 | 154.1 | 33.5 | 0 | 0 | 0 | 0 | 115.7 | E674 S675 | E674-T677 PolarHBondContact OE2-N 2.9Å; S675-T677 PolarHBondContact O-N 3.29Å | ||
| 678 | K | 27.2 | Very low | 26 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | 57.9 | 109.3 | 137.6 | -65.9 | -178.6 | 176.2 | 178.1 | 0 | 120.1 | E674 | E674-K678 PolarHBondContact OE2-N 3.34Š| ||
| 679 | T | 27 | Very low | 26.3 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | 72.1 | 117.6 | 128.3 | 59.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 680 | A | 28.2 | Very low | 26.7 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | 89.8 | 102.9 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 681 | D | 26.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | 76.1 | 131.4 | 119.8 | -55.9 | -19.7 | 0 | 0 | 0 | 124.9 | |||||
| 682 | E | 27 | Very low | 27 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 76.7 | 114.4 | 144.2 | -75.5 | -166.6 | 154.9 | 0 | 0 | 124.5 | ||||
| 683 | T | 25.6 | Very low | 27 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 87.7 | 112.1 | 131.9 | 59 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 684 | T | 26.2 | Very low | 26.8 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 77.6 | 159.7 | 133.1 | 61.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 685 | I | 29.2 | Very low | 26.8 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | 90 | 152.8 | 167.9 | -52.8 | -174.6 | 0 | 0 | 0 | 115.6 | ||||
| 686 | S | 25.4 | Very low | 26.9 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -113 | 167.4 | -149.8 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 687 | D | 24.5 | Very low | 27 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 44.5 | 117.3 | 150.2 | -51.5 | -26.3 | 0 | 0 | 0 | 120.7 | ||||
| 688 | F | 24.8 | Very low | 27.2 | Very low | 210 Ų | 210 | 138.8 Ų | 138.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -150.6 | 134.7 | 144.1 | -100.8 | -72.7 | 0 | 0 | 0 | 112 | ||||
| 689 | P | 31.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -105.6 | -151.7 | 178.7 | 46.5 | -38.8 | 0 | 0 | 0 | 110.9 | ||||
| 690 | P | 33.5 | Very low | 27.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | -122.9 | 167.2 | -122.5 | 26 | -1.5 | 0 | 0 | 0 | 117.6 | |||||
| 691 | M | 25.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 63.5 | 118 | 155.7 | -75 | -77 | -93.3 | 0 | 0 | 120.8 | ||||
| 692 | N | 27.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 150 | 154.7 | -65 | -19.6 | 0 | 0 | 0 | 118 | ||||
| 693 | C | 25.2 | Very low | 27.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | cis | -144 | -164.4 | -0.1 | -130.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 694 | L | 26.3 | Very low | 27.5 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -56.1 | 128.5 | -167.1 | -80 | 161.8 | 0 | 0 | 0 | 117 | ||||
| 695 | Q | 27 | Very low | 27.6 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | 64.7 | 94.2 | 129.5 | -157 | 167.6 | -0.1 | 0 | 0 | 120.9 | |||||
| 696 | L | 28.1 | Very low | 27.9 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 99.2 | 145.8 | -88.2 | 72.6 | 0 | 0 | 0 | 121.1 | ||||
| 697 | L | 26.6 | Very low | 27.8 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | 81.4 | 142.5 | 122.1 | -73.8 | 170.1 | 0 | 0 | 0 | 122.8 | |||||
| 698 | C | 29.6 | Very low | 27.9 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | 81.8 | 69 | 154.8 | -68.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 699 | S | 27.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 63.2 | 118.1 | 115.3 | 63.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 700 | T | 26.8 | Very low | 27.6 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | 58.9 | 107.8 | 136.6 | 59.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 701 | N | 29 | Very low | 27.4 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | -175.8 | 168.2 | 87.5 | -111 | 7.9 | 0 | 0 | 0 | 112.5 | |||||
| 702 | D | 27.9 | Very low | 27.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -87.9 | 154.1 | -174.3 | -62.1 | -59 | 0 | 0 | 0 | 116.2 | ||||
| 703 | N | 27.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 82.2 | 146.3 | 142.9 | -77.4 | -41.5 | 0 | 0 | 0 | 123.3 | ||||
| 704 | Y | 29.1 | Very low | 27.8 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 154.7 | 166.4 | -76 | -73.3 | 0 | 0 | 0 | 121.1 | ||||
| 705 | T | 27.7 | Very low | 28 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | -123.4 | -164.2 | -155.7 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 706 | P | 34.8 | Very low | 28.1 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | -126.9 | 177 | -84.7 | 40.5 | -25.3 | 0 | 0 | 0 | 115.4 | |||||
| 707 | Q | 24.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 72.2 | 134.2 | 158.5 | -77.9 | -172.2 | -16.9 | 0 | 0 | 122.1 | ||||
| 708 | T | 25.7 | Very low | 28.4 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 60.9 | 149.4 | 144.9 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 709 | E | 24.4 | Very low | 28.4 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | -165 | 160.5 | -3.9 | -119.9 | -175.1 | 156.1 | 0 | 0 | 111.3 | ||||
| 710 | I | 26.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 64% | 0.641 | 74% | 0.744 | S | S | * | * | trans | 58.3 | 132.2 | 147.4 | -59 | 162 | 0 | 0 | 0 | 117.8 | ||||
| 711 | T | 27.8 | Very low | 28.4 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | -175.4 | 139.3 | 56.6 | -11.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 712 | T | 27.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 49 | 154.8 | 143.9 | 62.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 713 | R | 30 | Very low | 28.3 | Very low | 212 Ų | 212 | 144.8 Ų | 144.8 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | cis | -171.3 | 143.2 | 42.6 | -145.7 | -166.9 | 178.5 | 113.1 | 0.1 | 113.2 | ||||
| 714 | T | 30.3 | Very low | 28.2 | Very low | 99 Ų | 99 | 144 Ų | 144 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | 39.4 | 139.3 | 142.3 | 54.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 715 | D | 29.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | cis | -153.5 | 146.4 | -1 | -76.2 | -43.7 | 0 | 0 | 0 | 107.9 | ||||
| 716 | Q | 29.5 | Very low | 28.3 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | 177.5 | 153.4 | 82.4 | -83 | -172.5 | 19.9 | 0 | 0 | 106.2 | |||||
| 717 | Q | 31.1 | Very low | 28.1 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -151.3 | 153.6 | 8.4 | -112.2 | 166.6 | 19.7 | 0 | 0 | 108.4 | ||||
| 718 | H | 29.5 | Very low | 28.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 33.5 | 111.6 | 159.7 | -57.1 | -66.2 | 0 | 0 | 0 | 119.5 | ||||
| 719 | H | 28.6 | Very low | 28.6 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | 62.2 | 131.6 | 28 | -108.7 | 34.4 | 0 | 0 | 0 | 113.6 | ||||
| 720 | R | 28 | Very low | 29 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | cis | -166.8 | 163.3 | -0.6 | -173.7 | 171.7 | 171.9 | 155.6 | -4.5 | 110.7 | ||||
| 721 | S | 26.7 | Very low | 29.4 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -65 | 156.9 | 170.6 | -42.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 722 | D | 25.5 | Very low | 29.8 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | 155.5 | 157.8 | 117.2 | -74.2 | -32.2 | 0 | 0 | 0 | 114.6 | |||||
| 723 | V | 29.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 80.7 | 105.6 | 162.7 | -163.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 724 | V | 26.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | 19 | 145.5 | 133.2 | -153.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 725 | V | 28.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | 105.4 | 136.4 | 158.8 | -174.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 726 | G | 30.1 | Very low | 30.8 | Very low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | 89.7 | 107.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 727 | E | 29.3 | Very low | 30.8 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | 70 | 126.1 | 66.8 | -64.9 | -170.7 | 146.9 | 0 | 0 | 113.3 | |||||
| 728 | N | 27.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -87.4 | 164.7 | -174.5 | -56.8 | -34.1 | 0 | 0 | 0 | 111.6 | ||||
| 729 | D | 33.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | 159.4 | 114.8 | 128.6 | -82 | -4.7 | 0 | 0 | 0 | 108.5 | |||||
| 730 | N | 33.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | 85.3 | 150.2 | 97.1 | -57.7 | -18.6 | 0 | 0 | 0 | 111.7 | |||||
| 731 | D | 35.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -147.5 | -165 | 16.2 | -115.8 | -38 | 0 | 0 | 0 | 111.4 | ||||
| 732 | D | 36.5 | Very low | 30.6 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 130 | 174 | -55 | -18.7 | 0 | 0 | 0 | 115.8 | ||||
| 733 | D | 36.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | S | Bend | cis | -171.6 | 138.3 | -4.8 | 167.8 | 82.4 | 0 | 0 | 0 | 106.6 | ||
| 734 | N | 36.1 | Very low | 31.2 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -155.1 | 176.6 | -20.4 | -119.9 | -61.5 | 0 | 0 | 0 | 107.1 | ||||
| 735 | G | 33.1 | Very low | 31.2 | Very low | 57 Ų | 57 | 134.2 Ų | 134.2 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | cis | 176.9 | 172.4 | 2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 736 | E | 32.8 | Very low | 31.2 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | 47.1 | 129.8 | 164.9 | -61.9 | -179.3 | 133.2 | 0 | 0 | 120.6 | ||||
| 737 | I | 28.6 | Very low | 31 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | 103.3 | 143.9 | 31.5 | -71.4 | 169.7 | 0 | 0 | 0 | 113.6 | ||||
| 738 | D | 30.7 | Very low | 31 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 77.1 | 166.3 | 168 | -75.9 | -10.6 | 0 | 0 | 0 | 120.9 | ||||
| 739 | S | 26.7 | Very low | 31.2 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -123.7 | -175.8 | -139.1 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 740 | E | 26.9 | Very low | 30.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 104.2 | 159.6 | -75.2 | -177 | 173.1 | 0 | 0 | 118.8 | ||||
| 741 | D | 27.3 | Very low | 30.6 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | 87.1 | 152.7 | 116.3 | -139.8 | 31.8 | 0 | 0 | 0 | 120.7 | |||||
| 742 | N | 28.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 76.5 | 114.5 | 165.3 | -67.9 | -71.9 | 0 | 0 | 0 | 122.5 | ||||
| 743 | A | 28.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | 92.2 | 157.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 744 | P | 39.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -125.4 | -165.6 | -154.6 | 42.2 | -25.7 | 0 | 0 | 0 | 114.7 | ||||
| 745 | D | 27.6 | Very low | 29 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 92.3 | 116.3 | 145.5 | -108.3 | -45.5 | 0 | 0 | 0 | 121.8 | ||||
| 746 | S | 27.4 | Very low | 28.8 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 91.4 | 121.9 | 123 | -92 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 747 | V | 27 | Very low | 28.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 43.4 | 110.6 | 149.5 | -82.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 748 | D | 29.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | -170.1 | 154.7 | 112.1 | -112.9 | -17.3 | 0 | 0 | 0 | 108.9 | |||||
| 749 | K | 30.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | cis | -154.2 | 160.7 | 1.2 | -151.6 | 161 | -155.3 | 73.6 | 0 | 111.5 | ||||
| 750 | L | 26.5 | Very low | 28.5 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -30 | 141.6 | 167.4 | -70.7 | 147.3 | 0 | 0 | 0 | 117.4 | ||||
| 751 | L | 27.1 | Very low | 28.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -143 | 113.7 | 133 | -124.2 | 174.1 | 0 | 0 | 0 | 110.3 | ||||
| 752 | S | 27.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -141 | 109.3 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 753 | D | 29.2 | Very low | 28.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | -161.1 | 109.7 | 159.1 | -133.9 | -23.8 | 0 | 0 | 0 | 112.8 | T755 | D753-T755 PolarHBondContact OD1-OG1 3.05Š| ||
| 754 | T | 28.5 | Very low | 28.4 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -147 | 102.3 | 138 | -46.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 755 | T | 27.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -113.3 | 128.8 | -178.1 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | D753 | D753-T755 PolarHBondContact OD1-OG1 3.05Š| ||
| 756 | T | 29.1 | Very low | 28.2 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -141.9 | 91.1 | 166 | 17.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 757 | N | 27.9 | Very low | 28 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -15.2 | 133.4 | 158.8 | -53.7 | -79.9 | 0 | 0 | 0 | 117.3 | ||||
| 758 | K | 28.4 | Very low | 28.1 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | -175.4 | 123.7 | 97.4 | -99.3 | 173.6 | -176.6 | 177.9 | 0 | 116 | |||||
| 759 | I | 25.9 | Very low | 28 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -79.2 | 144.9 | 143.8 | -72.4 | 169.1 | 0 | 0 | 0 | 105.4 | ||||
| 760 | P | 29.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | -150.1 | 169.8 | 62.5 | 42.6 | -22.4 | 0 | 0 | 0 | 119.9 | |||||
| 761 | L | 25.6 | Very low | 27.7 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -61.2 | 140.3 | 158.9 | -67.6 | 153.2 | 0 | 0 | 0 | 111.9 | ||||
| 762 | N | 27.1 | Very low | 27.7 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -175.7 | 105.9 | 142.4 | -95.7 | -6.7 | 0 | 0 | 0 | 106.5 | ||||
| 763 | S | 27.1 | Very low | 27.6 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | 74.7 | 89.3 | 69.3 | 79.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 764 | S | 27.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | trans | -102 | 115.6 | 144.5 | 55.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 765 | S | 26.4 | Very low | 27.4 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -105.7 | -164.8 | -159.9 | -43.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 766 | P | 36.6 | Very low | 27.2 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | -133.7 | -166.3 | -117.4 | 34.5 | -9.9 | 0 | 0 | 0 | 114.7 | |||||
| 767 | S | 24.5 | Very low | 27 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 52.3 | 123.8 | 143 | 63.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 768 | H | 28.5 | Very low | 26.8 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | -143.8 | 116.9 | 141.1 | -114 | -64.5 | 0 | 0 | 0 | 111.7 | ||||
| 769 | D | 27.3 | Very low | 26.6 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 40.3 | 111.6 | 139.1 | -55 | -24.8 | 0 | 0 | 0 | 123.7 | ||||
| 770 | S | 24.4 | Very low | 26.6 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | 85.2 | 145.9 | 115.4 | 80.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 771 | N | 26 | Very low | 26.3 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | 62 | 136.5 | 151.3 | -59.5 | -24.8 | 0 | 0 | 0 | 117.5 | ||||
| 772 | N | 27.6 | Very low | 26.3 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | cis | -165.1 | 155.4 | 13.2 | -150.5 | 3.1 | 0 | 0 | 0 | 111.4 | ||||
| 773 | N | 25.4 | Very low | 26.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | 41.1 | 118.9 | 143.4 | -75.6 | -3 | 0 | 0 | 0 | 123.1 | ||||
| 774 | N | 25.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | 106.2 | 139.1 | 115.5 | -74.4 | 1.4 | 0 | 0 | 0 | 122.1 | |||||
| 775 | N | 26.7 | Very low | 26 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | 78 | 99.2 | 150 | -64.2 | -2.3 | 0 | 0 | 0 | 119.8 | ||||
| 776 | N | 24.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | 113.5 | 137.5 | 104.4 | -89.8 | 0.7 | 0 | 0 | 0 | 120.2 | |||||
| 777 | L | 24.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | 73.3 | 95.1 | 145.2 | -65.7 | 163.1 | 0 | 0 | 0 | 119.8 | ||||
| 778 | N | 23.4 | Very low | 25.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | 85.1 | 142.3 | 126.7 | -61.1 | -3.1 | 0 | 0 | 0 | 121.3 | |||||
| 779 | N | 24.8 | Very low | 25.7 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | 67.6 | 84.9 | 152.8 | -62.3 | 0.6 | 0 | 0 | 0 | 119.8 | ||||
| 780 | E | 25 | Very low | 25.6 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -141.5 | 119.2 | 142 | -99.6 | 159.4 | -158.1 | 0 | 0 | 106.8 | ||||
| 781 | A | 24.2 | Very low | 25.8 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | 75.3 | 92.2 | 69.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T783 | A781-T783 VanDerWaalsContact C-N 3.31Å; A781-T783 PolarHBondContact O-N 3.03Å | |||
| 782 | Y | 24.2 | Very low | 25.9 | Very low | 232 Ų | 232 | 139 Ų | 139 | 91% | 0.91 | 73% | 0.732 | S | S | * | * | trans | -73.3 | 80 | 174.1 | -100.3 | -83.2 | 0 | 0 | 0 | 111.3 | ||||
| 783 | T | 23.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | -104.9 | 88.9 | 174 | -49.6 | 0 | 0 | 0 | 0 | 109.7 | A781 T785 | A781-T783 VanDerWaalsContact C-N 3.31Å; A781-T783 PolarHBondContact O-N 3.03Å; T783-T785 HydrophobicContact CG2-CG2 4.23Å; T783-T785 PolarHBondContact O-N 3.31Å | ||
| 784 | I | 27.6 | Very low | 25.9 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 93.9 | 177.2 | -59.4 | -179.7 | 0 | 0 | 0 | 109.7 | N786 | I784-N786 WeakPolarHBondContact CG2-OD1 3.48Å; I784-N786 PolarHBondContact O-N 2.95Å; I784-N786 VanDerWaalsContact O-N 3.08Å | ||
| 785 | T | 25.1 | Very low | 25.9 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 75 | 175.2 | 39.2 | 0 | 0 | 0 | 0 | 112 | T783 H787 | T783-T785 HydrophobicContact CG2-CG2 4.23Å; T783-T785 PolarHBondContact O-N 3.31Å; T785-H787 PolarHBondContact O-N 3.36Å; T785-H787 VanDerWaalsContact O-N 3.08Å | ||
| 786 | N | 28.6 | Very low | 25.8 | Very low | 122 Ų | 122 | 148 Ų | 148 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | trans | -73.5 | 100.4 | 167.9 | -78.4 | 2.6 | 0 | 0 | 0 | 110.6 | I784 V788 | I784-N786 WeakPolarHBondContact CG2-OD1 3.48Å; I784-N786 PolarHBondContact O-N 2.95Å; I784-N786 VanDerWaalsContact O-N 3.08Å; N786-V788 PolarHBondContact O-N 2.95Å | ||
| 787 | H | 25.5 | Very low | 25.8 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -56 | 129.8 | 152.7 | -95.7 | -100.3 | 0 | 0 | 0 | 109.1 | T785 | T785-H787 PolarHBondContact O-N 3.36Å; T785-H787 VanDerWaalsContact O-N 3.08Å | ||
| 788 | V | 27.4 | Very low | 25.7 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -140.1 | 121.7 | 165.1 | -178.5 | 0 | 0 | 0 | 0 | 105.9 | N786 | N786-V788 PolarHBondContact O-N 2.95Š| ||
| 789 | D | 27.5 | Very low | 25.8 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -70.1 | 157.1 | -177.1 | -73.3 | -56.4 | 0 | 0 | 0 | 112.6 | N791 | D789-N791 PolarHBondContact O-N 2.88Å; D789-N791 VanDerWaalsContact O-N 3.13Å | ||
| 790 | E | 27 | Very low | 25.8 | Very low | 146 Ų | 146 | 147 Ų | 147 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -77.7 | 93.6 | 176.6 | -66.8 | -179 | 179.5 | 0 | 0 | 110.3 | K106 | K106-E790 IonicContact NZ-OE1 3.71Š|
| 791 | N | 27.9 | Very low | 25.8 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -178.9 | 166.1 | 137.6 | -88.5 | -42.4 | 0 | 0 | 0 | 112.1 | D789 | D789-N791 PolarHBondContact O-N 2.88Å; D789-N791 VanDerWaalsContact O-N 3.13Å | ||
| 792 | D | 27.2 | Very low | 25.8 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 56.1 | 109.5 | 169.7 | -59.2 | -20.2 | 0 | 0 | 0 | 119.2 | ||||
| 793 | L | 27.1 | Very low | 26 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -150.4 | 82.7 | 157.7 | -119.9 | 169.2 | 0 | 0 | 0 | 110.8 | ||||
| 794 | I | 26.7 | Very low | 26.1 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | -112 | 143.4 | 162.1 | -64 | 177.9 | 0 | 0 | 0 | 106.9 | ||||
| 795 | F | 25 | Very low | 26.1 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -17 | 125.9 | 177.4 | -74.5 | -96.7 | 0 | 0 | 0 | 117.8 | ||||
| 796 | L | 24.9 | Very low | 26.2 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | -157.1 | 179.7 | 105.8 | -133.7 | 79.3 | 0 | 0 | 0 | 113.1 | |||||
| 797 | T | 24.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 169.8 | -168.3 | 45.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 798 | T | 23.7 | Very low | 26.8 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -62.3 | 142.9 | 179.1 | 38.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 799 | T | 25.5 | Very low | 26.9 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -133.6 | 131 | 150 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 800 | T | 23.5 | Very low | 26.8 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -89.1 | 127 | 173.5 | 35.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 801 | T | 25.8 | Very low | 27 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -128.5 | 96.1 | 166.3 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 802 | T | 23.9 | Very low | 27 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -77.7 | 126.7 | 166.2 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 803 | S | 27.9 | Very low | 27.1 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -138.9 | 103.2 | 165.3 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 804 | S | 25 | Very low | 27.8 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -119.2 | 128.6 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 805 | V | 28.7 | Very low | 28 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 126 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 806 | S | 26.2 | Very low | 28.1 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -158.7 | 152.9 | -14.3 | -88.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 807 | P | 37 | Very low | 28.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 173.8 | 166.1 | 36.9 | -35.6 | 0 | 0 | 0 | 111.8 | ||||
| 808 | P | 30.6 | Very low | 29 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -151.5 | 173 | 112.4 | 39.2 | -23 | 0 | 0 | 0 | 116.8 | |||||
| 809 | S | 29 | Very low | 29.2 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 108.1 | 162.6 | -53.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 810 | V | 26.3 | Very low | 29.4 | Very low | 135 Ų | 135 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 76.1 | 100.9 | 50 | -177.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 811 | L | 30 | Very low | 29.4 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -172.5 | 114.9 | 140.6 | -112.7 | 138.9 | 0 | 0 | 0 | 114.7 | ||||
| 812 | L | 27.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 31.2 | 133.6 | 150.8 | -74.4 | 157.1 | 0 | 0 | 0 | 124.5 | ||||
| 813 | P | 30 | Very low | 29.6 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -104.1 | -163 | 161.2 | 40.8 | -31.3 | 0 | 0 | 0 | 112.6 | ||||
| 814 | P | 42.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | -125.7 | -166.9 | -73.1 | 42 | -26.5 | 0 | 0 | 0 | 112.1 | |||||
| 815 | P | 29.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -135.4 | 140 | 155.7 | 36.1 | -21.3 | 0 | 0 | 0 | 116.7 | ||||
| 816 | L | 27.3 | Very low | 29.7 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -98.1 | 178.2 | 157 | -106.3 | 78.4 | 0 | 0 | 0 | 108.8 | ||||
| 817 | P | 36.3 | Very low | 29.8 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | cis | -138.6 | -155 | 31 | 35.6 | -8.6 | 0 | 0 | 0 | 113 | ||||
| 818 | S | 31.7 | Very low | 29.5 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | cis | -168.7 | 139.5 | 22.5 | 53.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 819 | Q | 29.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 64.2 | 155.5 | 146.4 | -61.9 | -174.9 | 1.9 | 0 | 0 | 119.3 | ||||
| 820 | L | 28.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -139.4 | 132.9 | 25.2 | -82.4 | 166.8 | 0 | 0 | 0 | 115.2 | ||||
| 821 | S | 25.2 | Very low | 29.2 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 27 | 142.7 | 133.1 | 64.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 822 | L | 27.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | -158.6 | 140.3 | 59.9 | -87 | 166.4 | 0 | 0 | 0 | 115.8 | |||||
| 823 | T | 24.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | 27.3 | 141.1 | 143.7 | 61.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 824 | M | 23.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 132 Ų | 132 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | cis | -137.8 | -175 | 35.8 | -76.5 | -93.6 | 70 | 0 | 0 | 114.1 | ||||
| 825 | S | 24.3 | Very low | 27.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -162 | -170.9 | -167.1 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 826 | P | 37 | Very low | 27.1 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | cis | -143.8 | -167 | -2.8 | 42 | -21.4 | 0 | 0 | 0 | 116.7 | ||||
| 827 | T | 27.7 | Very low | 27 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 70 | 139.8 | 152.7 | 51.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 828 | N | 29.8 | Very low | 26.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | cis | -151.8 | 142.3 | 12.4 | -118.3 | 16.6 | 0 | 0 | 0 | 114 | ||||
| 829 | D | 27.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | 52 | 148.2 | 133.1 | -56.6 | -16.8 | 0 | 0 | 0 | 123.4 | ||||
| 830 | T | 28.5 | Very low | 25.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | cis | -157.6 | -179.3 | -10.7 | 18.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 831 | T | 23.7 | Very low | 25.8 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -109.6 | 154.3 | -165.8 | 54.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 832 | L | 21.9 | Very low | 25.9 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 24.8 | 128 | 143.6 | -85.1 | 154.9 | 0 | 0 | 0 | 120.9 | ||||
| 833 | W | 25.5 | Very low | 25.8 | Very low | 255 Ų | 255 | 127.5 Ų | 127.5 | 97% | 0.966 | 75% | 0.748 | S | S | * | * | -166.4 | 173.6 | 119.3 | -93.6 | -33.6 | 0 | 0 | 0 | 112.9 | |||||
| 834 | S | 21.6 | Very low | 26 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -130.1 | -177.4 | -169.9 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 835 | T | 23.5 | Very low | 26 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 115.9 | 96.8 | 151.6 | -48.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 836 | T | 23 | Very low | 26 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | 57.8 | 119.5 | 128 | -46.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 837 | A | 26 | Very low | 25.5 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | 172.4 | 133.3 | 121.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 838 | T | 23.7 | Very low | 25.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | cis | 79.8 | 104 | 28.5 | 67.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 839 | T | 26.9 | Very low | 24.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | -176.4 | 111.4 | 144.8 | 17.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 840 | T | 24.7 | Very low | 24.7 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | 66.1 | 136 | 94.5 | 60.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 841 | T | 24.8 | Very low | 24.3 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -157.9 | -157.1 | 3.5 | 10.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 842 | T | 28.5 | Very low | 24.3 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | cis | -158.9 | 135.2 | 23.3 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 843 | T | 25.1 | Very low | 24.3 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | 48.1 | 116.2 | 139 | 64.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 844 | A | 27.5 | Very low | 24.2 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | 167.8 | 116.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 845 | K | 24 | Very low | 24.3 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 57.4 | 131.1 | 92.7 | -76.3 | 178.5 | 151.6 | -84.9 | 0 | 114.4 | |||||
| 846 | E | 25 | Very low | 24.1 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | -170.4 | 160.2 | 1.6 | -105.5 | 155.6 | 151 | 0 | 0 | 108.2 | ||||
| 847 | D | 25.4 | Very low | 24.2 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | cis | -171.3 | -171.3 | -32.1 | -133.2 | 99.7 | 0 | 0 | 0 | 112.8 | ||||
| 848 | H | 23.8 | Very low | 23.9 | Very low | 153 Ų | 153 | 131 Ų | 131 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | 69.4 | 108.7 | 162.2 | -80.4 | -66.7 | 0 | 0 | 0 | 123.7 | ||||
| 849 | L | 21.8 | Very low | 23.9 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | 77.1 | 142.2 | 126.2 | -76.1 | 170.5 | 0 | 0 | 0 | 125.8 | |||||
| 850 | Q | 23 | Very low | 23.7 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | 86.1 | 109.6 | 145.9 | -82.2 | 172.6 | -11.6 | 0 | 0 | 123.4 | ||||
| 851 | N | 21.8 | Very low | 23.6 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 60.6 | 143 | 129.7 | -65.9 | 2.6 | 0 | 0 | 0 | 123.5 | |||||
| 852 | S | 22.8 | Very low | 23.5 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | 65.2 | 152.8 | 153.7 | 38.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 853 | S | 22.4 | Very low | 23.3 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | cis | -160.9 | 176.9 | -15.4 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 854 | S | 22.4 | Very low | 23.3 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | -53.4 | 142.4 | 165.9 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 855 | L | 23.5 | Very low | 23 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | -119.9 | 128.5 | 148.4 | -90.7 | 81.8 | 0 | 0 | 0 | 106.2 | ||||
| 856 | D | 20.5 | Very low | 23 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | 75.6 | 113.3 | 62.7 | -74.2 | -42.3 | 0 | 0 | 0 | 114 | |||||
| 857 | I | 23.8 | Very low | 22.8 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | trans | -130.5 | 106.7 | 157.5 | -63 | -178.3 | 0 | 0 | 0 | 107 | ||||
| 858 | T | 20.3 | Very low | 22.7 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -132.1 | 105.9 | -174.3 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 859 | S | 24.8 | Very low | 22.5 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 177.9 | 122 | 161.1 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 860 | A | 20.9 | Very low | 22.7 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 56% | 0.562 | 75% | 0.746 | S | S | * | * | cis | 71.8 | 80 | -4.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | K384 | K384-A860 HydrophobicContact CD-CB 4.02Š| ||
| 861 | S | 24.3 | Very low | 22.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -141.7 | 150.8 | 146.2 | -166.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 862 | L | 22.1 | Very low | 22.9 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 51% | 0.508 | 75% | 0.747 | S | S | . | * | trans | -159.2 | 147.9 | -165.9 | -99 | 146.4 | 0 | 0 | 0 | 112 | T380 | T380-L862 HydrophobicContact CG2-CB 3.82Å; T380-L862 HydrophobicContact CG2-CD1 3.77Å; T380-L862 HydrophobicContact CG2-CD2 4.25Å; T380-L862 HydrophobicContact CG2-CG 4.14Å; T380-L862 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 863 | N | 23.6 | Very low | 23 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | 59.5 | 177 | 166.7 | -56.4 | -18.8 | 0 | 0 | 0 | 114.3 | ||||
| 864 | T | 25.1 | Very low | 23.3 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | cis | -147.8 | 178.3 | 19.5 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 865 | C | 21.8 | Very low | 23.6 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | cis | -158.7 | 178.9 | -31.4 | -100.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 866 | N | 24.7 | Very low | 23.8 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -100.1 | 146.4 | -179.6 | -105.1 | -4.3 | 0 | 0 | 0 | 113.6 | ||||
| 867 | F | 21.1 | Very low | 24.2 | Very low | 191 Ų | 191 | 124.8 Ų | 124.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 52.4 | 139 | 150.9 | -84 | -89.7 | 0 | 0 | 0 | 121.8 | ||||
| 868 | V | 22 | Very low | 24.5 | Very low | 138 Ų | 138 | 120.7 Ų | 120.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -129.6 | 154.7 | 156.3 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 869 | V | 20.3 | Very low | 25 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | -96.9 | 149.4 | -179.5 | 172.9 | 0 | 0 | 0 | 0 | 110 | V871 | V869-V871 HydrophobicContact CG1-CG2 4.33Š| ||
| 870 | V | 24.5 | Very low | 25.2 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -110.4 | 132.1 | 168.7 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 871 | V | 21.2 | Very low | 25.8 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -144.7 | 131.1 | 162.5 | 177.2 | 0 | 0 | 0 | 0 | 105.7 | V869 | V869-V871 HydrophobicContact CG1-CG2 4.33Š| ||
| 872 | D | 28.5 | Very low | 26 | Very low | 160 Ų | 160 | 128 Ų | 128 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -155.8 | 144.1 | 161.5 | -89.3 | -46.8 | 0 | 0 | 0 | 108.2 | ||||
| 873 | D | 25.6 | Very low | 26.3 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -113.8 | 148.5 | -179.2 | -81.6 | -47.3 | 0 | 0 | 0 | 111.6 | ||||
| 874 | D | 27.5 | Very low | 26.5 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | trans | 52.8 | 150.7 | 154.2 | -83.6 | -23.8 | 0 | 0 | 0 | 123.6 | ||||
| 875 | G | 29.2 | Very low | 26.6 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | 128.4 | 51.9 | 151 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 876 | G | 27.9 | Very low | 27 | Very low | 87 Ų | 87 | 130 Ų | 130 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | trans | -80.7 | -177.9 | -179 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 877 | G | 29.1 | Very low | 27.2 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | trans | 170.5 | 87.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 878 | G | 30.3 | Very low | 27.5 | Very low | 89 Ų | 89 | 124 Ų | 124 | 92% | 0.918 | 84% | 0.838 | S | S | * | * | trans | 73.9 | 154.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 879 | G | 31.4 | Very low | 27.8 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | cis | 175.2 | 155.9 | -9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 880 | E | 28.9 | Very low | 28.2 | Very low | 208 Ų | 208 | 124.2 Ų | 124.2 | 97% | 0.972 | 83% | 0.83 | S | S | * | * | trans | 67.9 | 141.8 | 158.6 | -55.9 | -171.4 | 174.1 | 0 | 0 | 122.6 | ||||
| 881 | G | 31.9 | Very low | 28.4 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 152.3 | 119.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 882 | E | 28.7 | Very low | 28.8 | Very low | 206 Ų | 206 | 125 Ų | 125 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | -101.9 | 166.8 | -174.5 | -56.3 | -177.1 | 112.5 | 0 | 0 | 114.8 | ||||
| 883 | G | 28.3 | Very low | 28.8 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 142 | 21.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 884 | G | 27.8 | Very low | 29 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | trans | 61 | 165.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 885 | G | 29.1 | Very low | 29.1 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 140.6 | 70.6 | 153 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 886 | R | 29.2 | Very low | 29.2 | Very low | 260 Ų | 260 | 124 Ų | 124 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | trans | 63.5 | 161.4 | 148.5 | -83.2 | -178.8 | 167.3 | 168.5 | -3.8 | 122.6 | ||||
| 887 | A | 27.9 | Very low | 29.5 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -100.7 | -173.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 888 | V | 28.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | cis | -163.6 | 170 | 37.8 | -140.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 889 | D | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | 79.4 | 102.2 | 147.3 | -72.2 | -47.6 | 0 | 0 | 0 | 124.8 | ||||
| 890 | N | 28.7 | Very low | 29.3 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | 50.6 | 135.2 | 109.2 | -66.8 | -51.8 | 0 | 0 | 0 | 124.3 | |||||
| 891 | V | 29.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | 152.8 | 110.1 | 116.7 | 171.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 892 | N | 28.7 | Very low | 29 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 47.4 | 160.9 | 137.9 | -55 | 2.6 | 0 | 0 | 0 | 128 | ||||
| 893 | E | 29.7 | Very low | 29 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 92.4 | 141.5 | 152.2 | -55.3 | -164.3 | 173 | 0 | 0 | 120.1 | ||||
| 894 | Q | 28.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -169.4 | 141.5 | -26.1 | -178.4 | 60.3 | 29 | 0 | 0 | 111.1 | ||||
| 895 | G | 31.3 | Very low | 28.9 | Very low | 56 Ų | 56 | 148.7 Ų | 148.7 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | trans | 80.4 | 166.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 896 | D | 30.5 | Very low | 29 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -166.9 | 179.1 | -16.7 | -93.9 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 897 | D | 34.3 | Very low | 29 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 79.8 | 105.2 | 166.4 | -59.5 | -14.6 | 0 | 0 | 0 | 121.8 | ||||
| 898 | D | 30.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 32.5 | 148.8 | 132.8 | -54.9 | -16.4 | 0 | 0 | 0 | 122.2 | ||||
| 899 | D | 28.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | cis | -163.9 | 168.9 | 37.3 | -151 | -10.7 | 0 | 0 | 0 | 114.7 | ||||
| 900 | D | 27.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | trans | 2.6 | 130.3 | 172.9 | -151.2 | 4.9 | 0 | 0 | 0 | 123.2 | ||||
| 901 | Y | 27.5 | Very low | 29.6 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 88% | 0.882 | 70% | 0.701 | S | S | * | * | -174.3 | 140.4 | 118.8 | -115.3 | -79.2 | 0 | 0 | 0 | 114.5 | |||||
| 902 | R | 27.4 | Very low | 30 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | trans | -82.8 | 120.8 | 175.4 | -67.5 | 179.2 | 173.6 | -163.8 | -1.2 | 114.6 | ||||
| 903 | N | 27.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | -176.8 | 174.3 | 126.2 | -113.8 | -51 | 0 | 0 | 0 | 114.3 | |||||
| 904 | Y | 27.3 | Very low | 30.4 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | 73.3 | 48.2 | 171.6 | -66.3 | -75.3 | 0 | 0 | 0 | 118.2 | S906 Q1397 | Y904-S906 PolarHBondContact O-N 2.7Å; Y904-Q1397 PolarHBondContact OH-NE2 3Å | ||
| 905 | Q | 26.7 | Very low | 30.7 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 38.3 | 166 | -151.4 | 69 | 30.9 | 0 | 0 | 113.8 | ||
| 906 | S | 31.6 | Very low | 31 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 52% | 0.517 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.1 | -2.3 | -168.5 | -170.2 | 0 | 0 | 0 | 0 | 114.6 | Y904 | Y904-S906 PolarHBondContact O-N 2.7Š|
| 907 | F | 30 | Very low | 31.3 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -123.8 | -25.3 | -170 | -144.5 | -94.3 | 0 | 0 | 0 | 114.6 | ||
| 908 | E | 31.6 | Very low | 31.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.4 | -23.4 | 175.5 | -78.3 | -67.4 | 151.8 | 0 | 0 | 113 | L910 K911 S912 | E908-L910 PolarHBondContact O-N 3.05Å; E908-K911 VanDerWaalsContact CD-CD 3.42Å; E908-K911 WeakPolarHBondContact O-CA 3.4Å; E908-K911 WeakPolarHBondContact O-CB 3.39Å; E908-K911 PolarHBondContact O-N 3.12Å; E908-K911 WeakPolarHBondContact OE1-CD 3.37Å; E908-K911 IonicContact OE1-NZ 2.6Å; E908-K911 PolarHBondContact OE1-NZ 3.31Å; E908-K911 WeakPolarHBondContact OE2-CD 3.49Å; E908-S912 PolarHBondContact O-N 2.67Å; E908-S912 VanDerWaalsContact O-N 3.07Å |
| 909 | D | 31.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.5 | -22.1 | 173.8 | -70.3 | -5.5 | 0 | 0 | 0 | 112.9 | S912 I913 | D909-S912 PolarHBondContact O-OG 3.38Å; D909-I913 WeakPolarHBondContact O-CD1 3.47Å; D909-I913 WeakPolarHBondContact O-CG1 3.47Å |
| 910 | L | 30.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.9 | -27.2 | 169.2 | -93.9 | 164.2 | 0 | 0 | 0 | 112.5 | E908 L914 | E908-L910 PolarHBondContact O-N 3.05Å; L910-L914 PolarHBondContact O-N 3.14Å |
| 911 | K | 32.4 | Very low | 33.3 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -83.4 | -27.5 | -175.5 | -135.8 | 178.8 | -170.8 | 168.8 | 0 | 112.3 | E908 K915 | E908-K911 VanDerWaalsContact CD-CD 3.42Å; E908-K911 WeakPolarHBondContact O-CA 3.4Å; E908-K911 WeakPolarHBondContact O-CB 3.39Å; E908-K911 PolarHBondContact O-N 3.12Å; E908-K911 WeakPolarHBondContact OE1-CD 3.37Å; E908-K911 IonicContact OE1-NZ 2.6Å; E908-K911 PolarHBondContact OE1-NZ 3.31Å; E908-K911 WeakPolarHBondContact OE2-CD 3.49Å; K911-K915 WeakPolarHBondContact O-CG 3.32Å; K911-K915 PolarHBondContact O-N 2.84Å |
| 912 | S | 36.2 | Very low | 34.1 | Very low | 62 Ų | 62 | 110.8 Ų | 110.8 | 43% | 0.434 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -41.7 | 167 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | E908 D909 L914 K915 E916 | E908-S912 PolarHBondContact O-N 2.67Å; E908-S912 VanDerWaalsContact O-N 3.07Å; D909-S912 PolarHBondContact O-OG 3.38Å; S912-L914 PolarHBondContact O-N 2.93Å; S912-K915 PolarHBondContact O-N 3.08Å; S912-K915 VanDerWaalsContact O-N 3.16Å; S912-E916 PolarHBondContact O-N 3.41Å; S912-E916 VanDerWaalsContact O-N 3.11Å |
| 913 | I | 34.1 | Very low | 34.8 | Very low | 70 Ų | 70 | 103.5 Ų | 103.5 | 36% | 0.359 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.9 | -69.4 | 171.2 | 0 | 0 | 0 | 111.8 | D909 E916 E917 | D909-I913 WeakPolarHBondContact O-CD1 3.47Å; D909-I913 WeakPolarHBondContact O-CG1 3.47Å; I913-E916 PolarHBondContact O-N 3.01Å; I913-E917 PolarHBondContact O-N 2.91Å |
| 914 | L | 32.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 174.7 | -80 | 160.4 | 0 | 0 | 0 | 112.9 | L910 S912 E916 E917 D918 | L910-L914 PolarHBondContact O-N 3.14Å; S912-L914 PolarHBondContact O-N 2.93Å; L914-E916 VanDerWaalsContact C-N 3.32Å; L914-E916 PolarHBondContact O-N 3.13Å; L914-E917 VanDerWaalsContact O-CB 3.27Å; L914-E917 WeakPolarHBondContact O-CB 3.29Å; L914-E917 PolarHBondContact O-N 2.6Å; L914-E917 VanDerWaalsContact O-N 3.09Å; L914-D918 PolarHBondContact O-N 3.34Å |
| 915 | K | 35.7 | Very low | 36.4 | Very low | 147 Ų | 147 | 97.1 Ų | 97.1 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.9 | -25.9 | 175.4 | -78.2 | 178.5 | 175.9 | 177.7 | 0 | 113.7 | K911 S912 E917 A919 | K911-K915 WeakPolarHBondContact O-CG 3.32Å; K911-K915 PolarHBondContact O-N 2.84Å; S912-K915 PolarHBondContact O-N 3.08Å; S912-K915 VanDerWaalsContact O-N 3.16Å; K915-E917 VanDerWaalsContact C-N 3.32Å; K915-A919 PolarHBondContact O-N 3.42Å |
| 916 | E | 37.6 | Very low | 37.3 | Very low | 100 Ų | 100 | 97.6 Ų | 97.6 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69 | -32.6 | 167.9 | -70.4 | -171.1 | 145.9 | 0 | 0 | 112 | S912 I913 L914 A919 L920 K974 | S912-E916 PolarHBondContact O-N 3.41Å; S912-E916 VanDerWaalsContact O-N 3.11Å; I913-E916 PolarHBondContact O-N 3.01Å; L914-E916 VanDerWaalsContact C-N 3.32Å; L914-E916 PolarHBondContact O-N 3.13Å; E916-A919 PolarHBondContact O-N 3.36Å; E916-L920 VanDerWaalsContact O-CB 3.31Å; E916-L920 WeakPolarHBondContact O-CB 3.09Å; E916-L920 PolarHBondContact O-N 2.86Å; E916-K974 IonicContact OE2-NZ 3.9Å |
| 917 | E | 36.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 98 Ų | 98 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 179.4 | -161.4 | 174 | 158.8 | 0 | 0 | 111.3 | I913 L914 K915 A919 L920 N921 | I913-E917 PolarHBondContact O-N 2.91Å; L914-E917 VanDerWaalsContact O-CB 3.27Å; L914-E917 WeakPolarHBondContact O-CB 3.29Å; L914-E917 PolarHBondContact O-N 2.6Å; L914-E917 VanDerWaalsContact O-N 3.09Å; K915-E917 VanDerWaalsContact C-N 3.32Å; E917-A919 VanDerWaalsContact C-N 3.33Å; E917-A919 PolarHBondContact O-N 3.18Å; E917-L920 PolarHBondContact O-N 3.04Å; E917-N921 WeakPolarHBondContact O-CB 3.31Å; E917-N921 PolarHBondContact O-N 3.45Å; E917-N921 PolarHBondContact O-ND2 2.93Å |
| 918 | D | 37.9 | Very low | 38.2 | Very low | 114 Ų | 114 | 94 Ų | 94 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 170.8 | -78.2 | -33 | 0 | 0 | 0 | 112.2 | L914 A922 | L914-D918 PolarHBondContact O-N 3.34Å; D918-A922 WeakPolarHBondContact O-CB 3.37Å; D918-A922 PolarHBondContact O-N 2.93Å |
| 919 | A | 39.5 | Very low | 38.6 | Very low | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K915 E916 E917 T923 | K915-A919 PolarHBondContact O-N 3.42Å; E916-A919 PolarHBondContact O-N 3.36Å; E917-A919 VanDerWaalsContact C-N 3.33Å; E917-A919 PolarHBondContact O-N 3.18Å; A919-T923 WeakPolarHBondContact O-CB 3.48Å; A919-T923 PolarHBondContact O-N 3.41Å; A919-T923 VanDerWaalsContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.3Å |
| 920 | L | 39.5 | Very low | 39 | Very low | 93 Ų | 93 | 96.3 Ų | 96.3 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.9 | -45.2 | 176.9 | -167.1 | 67.9 | 0 | 0 | 0 | 110.8 | E916 E917 A922 T923 I924 | E916-L920 VanDerWaalsContact O-CB 3.31Å; E916-L920 WeakPolarHBondContact O-CB 3.09Å; E916-L920 PolarHBondContact O-N 2.86Å; E917-L920 PolarHBondContact O-N 3.04Å; L920-A922 PolarHBondContact O-N 3.16Å; L920-T923 CarbonylContact O-C 3.53Å; L920-T923 WeakPolarHBondContact O-CA 3.41Å; L920-T923 WeakPolarHBondContact O-CB 3.49Å; L920-T923 PolarHBondContact O-N 3.14Å; L920-I924 HydrophobicContact CG-CD1 4.27Å; L920-I924 WeakPolarHBondContact O-CG1 3.4Å; L920-I924 PolarHBondContact O-N 2.96Å |
| 921 | N | 44.7 | Very low | 39.4 | Very low | 71 Ų | 71 | 95.6 Ų | 95.6 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 174.9 | -73.4 | -31.3 | 0 | 0 | 0 | 112 | E917 T923 I924 N925 | E917-N921 WeakPolarHBondContact O-CB 3.31Å; E917-N921 PolarHBondContact O-N 3.45Å; E917-N921 PolarHBondContact O-ND2 2.93Å; N921-T923 PolarHBondContact O-N 2.87Å; N921-I924 PolarHBondContact O-N 3.23Å; N921-N925 WeakPolarHBondContact O-CB 3.37Å; N921-N925 PolarHBondContact O-N 3.16Å; N921-N925 PolarHBondContact O-ND2 3.12Å |
| 922 | A | 46 | Very low | 39.5 | Very low | 45 Ų | 45 | 98.1 Ų | 98.1 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -17.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D918 L920 R926 | D918-A922 WeakPolarHBondContact O-CB 3.37Å; D918-A922 PolarHBondContact O-N 2.93Å; L920-A922 PolarHBondContact O-N 3.16Å; A922-R926 WeakPolarHBondContact O-CG 3.42Å |
| 923 | T | 41.9 | Very low | 39.4 | Very low | 71 Ų | 71 | 101 Ų | 101 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -89.2 | -41 | 174.7 | -59 | 0 | 0 | 0 | 0 | 111.4 | A919 L920 N921 R926 I927 | A919-T923 WeakPolarHBondContact O-CB 3.48Å; A919-T923 PolarHBondContact O-N 3.41Å; A919-T923 VanDerWaalsContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.3Å; L920-T923 CarbonylContact O-C 3.53Å; L920-T923 WeakPolarHBondContact O-CA 3.41Å; L920-T923 WeakPolarHBondContact O-CB 3.49Å; L920-T923 PolarHBondContact O-N 3.14Å; N921-T923 PolarHBondContact O-N 2.87Å; T923-R926 WeakPolarHBondContact O-CB 3.36Å; T923-R926 PolarHBondContact O-N 2.9Å; T923-R926 VanDerWaalsContact O-N 3.17Å; T923-I927 WeakPolarHBondContact O-CG1 3.23Å; T923-I927 PolarHBondContact O-N 3.15Å |
| 924 | I | 44.4 | Very low | 39.5 | Very low | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -51 | 172.5 | -66.8 | 164.9 | 0 | 0 | 0 | 110 | L920 N921 R926 I927 D928 | L920-I924 HydrophobicContact CG-CD1 4.27Å; L920-I924 WeakPolarHBondContact O-CG1 3.4Å; L920-I924 PolarHBondContact O-N 2.96Å; N921-I924 PolarHBondContact O-N 3.23Å; I924-R926 PolarHBondContact O-N 3.24Å; I924-I927 WeakPolarHBondContact O-CB 3.37Å; I924-I927 PolarHBondContact O-N 3.12Å; I924-D928 PolarHBondContact O-N 2.86Å |
| 925 | N | 43.2 | Very low | 39.4 | Very low | 108 Ų | 108 | 104 Ų | 104 | 58% | 0.578 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.4 | -16.2 | 176.7 | -74.4 | -45.3 | 0 | 0 | 0 | 114.3 | N921 | N921-N925 WeakPolarHBondContact O-CB 3.37Å; N921-N925 PolarHBondContact O-N 3.16Å; N921-N925 PolarHBondContact O-ND2 3.12Å |
| 926 | R | 44.9 | Very low | 39.2 | Very low | 179 Ų | 179 | 105 Ų | 105 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -84.5 | -28.8 | 170.1 | -87 | 179.5 | 172.9 | 131.2 | -2.7 | 113.2 | A922 T923 I924 V930 | A922-R926 WeakPolarHBondContact O-CG 3.42Å; T923-R926 WeakPolarHBondContact O-CB 3.36Å; T923-R926 PolarHBondContact O-N 2.9Å; T923-R926 VanDerWaalsContact O-N 3.17Å; I924-R926 PolarHBondContact O-N 3.24Å; R926-V930 WeakPolarHBondContact O-CG2 3.48Å; R926-V930 PolarHBondContact O-N 3.39Å |
| 927 | I | 42.2 | Very low | 39.1 | Very low | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.415 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.9 | -40.4 | 179.1 | -70.3 | 166.4 | 0 | 0 | 0 | 110.2 | T923 I924 V930 N931 | T923-I927 WeakPolarHBondContact O-CG1 3.23Å; T923-I927 PolarHBondContact O-N 3.15Å; I924-I927 WeakPolarHBondContact O-CB 3.37Å; I924-I927 PolarHBondContact O-N 3.12Å; I927-V930 PolarHBondContact O-N 3.09Å; I927-N931 PolarHBondContact O-ND2 3.31Å; I927-N931 VanDerWaalsContact O-ND2 3.15Å |
| 928 | D | 39.6 | Very low | 38.9 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.7 | -36.5 | 179.6 | -65.8 | -38.7 | 0 | 0 | 0 | 112.7 | I924 V930 N931 E932 | I924-D928 PolarHBondContact O-N 2.86Å; D928-V930 PolarHBondContact O-N 3.12Å; D928-V930 VanDerWaalsContact O-N 3.09Å; D928-N931 WeakPolarHBondContact O-CB 3.15Å; D928-N931 PolarHBondContact O-N 3.28Å; D928-E932 PolarHBondContact O-N 2.92Å |
| 929 | K | 40.1 | Very low | 38.6 | Very low | 150 Ų | 150 | 111.5 Ų | 111.5 | 65% | 0.652 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -9.3 | 170.6 | -83.5 | -170.8 | 171.2 | -178.9 | 0 | 115.4 | ||
| 930 | V | 39.8 | Very low | 38.3 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -16.8 | 170.4 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | R926 I927 D928 | R926-V930 WeakPolarHBondContact O-CG2 3.48Å; R926-V930 PolarHBondContact O-N 3.39Å; I927-V930 PolarHBondContact O-N 3.09Å; D928-V930 PolarHBondContact O-N 3.12Å; D928-V930 VanDerWaalsContact O-N 3.09Å |
| 931 | N | 39.2 | Very low | 38 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 47% | 0.465 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -29.6 | 176.6 | -61.9 | -50.2 | 0 | 0 | 0 | 112.6 | I927 D928 T933 | I927-N931 PolarHBondContact O-ND2 3.31Å; I927-N931 VanDerWaalsContact O-ND2 3.15Å; D928-N931 WeakPolarHBondContact O-CB 3.15Å; D928-N931 PolarHBondContact O-N 3.28Å; N931-T933 VanDerWaalsContact C-N 3.33Å; N931-T933 PolarHBondContact O-N 3Å |
| 932 | E | 34.3 | Very low | 37.6 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -14.3 | -179.1 | -66 | -174.7 | 132 | 0 | 0 | 114.5 | D928 A934 | D928-E932 PolarHBondContact O-N 2.92Å; E932-A934 VanDerWaalsContact C-N 3.33Å; E932-A934 PolarHBondContact O-N 3.16Å |
| 933 | T | 33.4 | Very low | 37.2 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 31.4 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | N931 | N931-T933 VanDerWaalsContact C-N 3.33Å; N931-T933 PolarHBondContact O-N 3Å |
| 934 | A | 36.7 | Very low | 37.1 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 63% | 0.628 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -111 | -28.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E932 | E932-A934 VanDerWaalsContact C-N 3.33Å; E932-A934 PolarHBondContact O-N 3.16Å |
| 935 | D | 31.2 | Very low | 36.6 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -110.6 | 73.1 | -171.4 | -77.3 | -54.7 | 0 | 0 | 0 | 112.8 | ||
| 936 | L | 31.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 70% | 0.704 | S | S | * | * | trans | -167 | 73.7 | 166.1 | -115.2 | 169 | 0 | 0 | 0 | 113.4 | ||||
| 937 | D | 35.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | trans | -166.3 | 173.9 | 137.8 | -128.9 | -35.5 | 0 | 0 | 0 | 114.9 | ||||
| 938 | N | 31.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -94.8 | 167.2 | -152.1 | -123.9 | -53.6 | 0 | 0 | 0 | 118.7 | ||||
| 939 | H | 32 | Very low | 36.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -24 | 129 | 173.3 | -68.1 | -77.5 | 0 | 0 | 0 | 118.6 | ||||
| 940 | N | 32.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | -174.2 | 170.5 | 103.5 | -107.8 | -72.2 | 0 | 0 | 0 | 116.2 | |||||
| 941 | N | 33.5 | Very low | 37.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -67.4 | 133.1 | -175.3 | -61.4 | -80.8 | 0 | 0 | 0 | 114.8 | ||||
| 942 | N | 36.5 | Very low | 37.7 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | -176 | 141.1 | 115.6 | -92.4 | -37.4 | 0 | 0 | 0 | 113.5 | |||||
| 943 | K | 36.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | -82.4 | 166.6 | 162.2 | -116.2 | -179.1 | 175.8 | 177.4 | 0 | 109.3 | ||||
| 944 | P | 40.3 | Very low | 39.1 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | cis | -138 | 158.1 | 0.2 | 39.8 | -22.8 | 0 | 0 | 0 | 116.7 | ||||
| 945 | N | 34 | Very low | 39.7 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | -173.8 | 112.8 | 123.5 | -104.6 | -4 | 0 | 0 | 0 | 110.7 | |||||
| 946 | T | 37.4 | Very low | 40.8 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | -100.6 | 109.5 | 174.4 | 48 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 947 | N | 44.5 | Very low | 41.6 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -173.7 | -22.8 | 163.9 | -96.3 | -19.2 | 0 | 0 | 0 | 113.4 | ||
| 948 | D | 44.8 | Very low | 42.2 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -91.7 | -24.1 | -174.9 | -71.5 | -56.1 | 0 | 0 | 0 | 114.9 | R952 | D948-R952 PolarHBondContact O-N 3.4Š|
| 949 | D | 45.3 | Very low | 43.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 60% | 0.599 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.6 | -36.4 | -175.1 | -73.4 | -50.8 | 0 | 0 | 0 | 113.9 | N951 R952 K953 | D949-N951 PolarHBondContact O-N 3.28Å; D949-R952 WeakPolarHBondContact O-CA 3.35Å; D949-R952 WeakPolarHBondContact O-CB 3.18Å; D949-R952 PolarHBondContact O-N 2.9Å; D949-K953 PolarHBondContact O-N 2.95Å |
| 950 | D | 48 | Very low | 44.4 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.9 | -37.4 | 179.9 | -67.2 | -43.7 | 0 | 0 | 0 | 111.8 | R952 K953 N954 | D950-R952 PolarHBondContact O-N 3.41Å; D950-K953 PolarHBondContact O-N 3.06Å; D950-N954 WeakPolarHBondContact O-CB 3.39Å; D950-N954 PolarHBondContact O-N 2.73Å; D950-N954 PolarHBondContact O-ND2 2.74Å |
| 951 | N | 46.9 | Very low | 45.3 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.4 | -33.4 | 170.9 | -84.9 | -37.9 | 0 | 0 | 0 | 111.9 | D949 N955 | D949-N951 PolarHBondContact O-N 3.28Å; N951-N955 WeakPolarHBondContact O-CB 3.36Å; N951-N955 PolarHBondContact O-N 3.32Å; N951-N955 VanDerWaalsContact O-N 3.15Å; N951-N955 PolarHBondContact O-ND2 2.86Å |
| 952 | R | 45 | Very low | 46.1 | Very low | 184 Ų | 184 | 122 Ų | 122 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.7 | -37.3 | 179.8 | -150.6 | 172.9 | -171.6 | -176.8 | 0.5 | 112.1 | D948 D949 D950 N956 | D948-R952 PolarHBondContact O-N 3.4Å; D949-R952 WeakPolarHBondContact O-CA 3.35Å; D949-R952 WeakPolarHBondContact O-CB 3.18Å; D949-R952 PolarHBondContact O-N 2.9Å; D950-R952 PolarHBondContact O-N 3.41Å; R952-N956 VanDerWaalsContact O-CG 3.25Å; R952-N956 PolarHBondContact O-N 2.76Å |
| 953 | K | 47.6 | Very low | 47 | Very low | 151 Ų | 151 | 118.3 Ų | 118.3 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -49.2 | 169.9 | -85.7 | -174.6 | 172.5 | 179.8 | 0 | 112.3 | D949 D950 N955 N956 E957 | D949-K953 PolarHBondContact O-N 2.95Å; D950-K953 PolarHBondContact O-N 3.06Å; K953-N955 VanDerWaalsContact C-N 3.35Å; K953-N955 PolarHBondContact O-N 2.99Å; K953-N956 WeakPolarHBondContact O-CB 3.4Å; K953-N956 PolarHBondContact O-N 3.44Å; K953-E957 PolarHBondContact O-N 2.77Å |
| 954 | N | 48.7 | Very low | 47.6 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.8 | -39.8 | -177.5 | -71.2 | -13.8 | 0 | 0 | 0 | 112.7 | D950 N956 E957 M958 | D950-N954 WeakPolarHBondContact O-CB 3.39Å; D950-N954 PolarHBondContact O-N 2.73Å; D950-N954 PolarHBondContact O-ND2 2.74Å; N954-N956 VanDerWaalsContact C-N 3.35Å; N954-E957 PolarHBondContact O-N 2.95Å; N954-M958 WeakPolarHBondContact O-CB 3.32Å; N954-M958 PolarHBondContact O-N 3.39Å |
| 955 | N | 50.4 | Low | 47.8 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -36.9 | 173.5 | -79.4 | -26.4 | 0 | 0 | 0 | 112.4 | N951 K953 M958 N959 | N951-N955 WeakPolarHBondContact O-CB 3.36Å; N951-N955 PolarHBondContact O-N 3.32Å; N951-N955 VanDerWaalsContact O-N 3.15Å; N951-N955 PolarHBondContact O-ND2 2.86Å; K953-N955 VanDerWaalsContact C-N 3.35Å; K953-N955 PolarHBondContact O-N 2.99Å; N955-M958 PolarHBondContact O-N 3.43Å; N955-N959 WeakPolarHBondContact O-CB 3.18Å; N955-N959 PolarHBondContact O-N 3.45Å; N955-N959 PolarHBondContact O-ND2 3.38Å |
| 956 | N | 53.5 | Low | 48.5 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.2 | -36.7 | 177.5 | -73.4 | -4.9 | 0 | 0 | 0 | 112.4 | R952 K953 N954 R960 | R952-N956 VanDerWaalsContact O-CG 3.25Å; R952-N956 PolarHBondContact O-N 2.76Å; K953-N956 WeakPolarHBondContact O-CB 3.4Å; K953-N956 PolarHBondContact O-N 3.44Å; N954-N956 VanDerWaalsContact C-N 3.35Å; N956-R960 PolarHBondContact O-N 2.98Å |
| 957 | E | 48.9 | Very low | 49.2 | Very low | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.6 | -43.5 | 171.6 | -70.9 | -156.9 | 137.2 | 0 | 0 | 112.5 | K953 N954 N959 R960 I961 | K953-E957 PolarHBondContact O-N 2.77Å; N954-E957 PolarHBondContact O-N 2.95Å; E957-N959 VanDerWaalsContact C-N 3.31Å; E957-N959 PolarHBondContact O-N 3.47Å; E957-R960 WeakPolarHBondContact O-CB 3.44Å; E957-R960 PolarHBondContact O-N 3.25Å; E957-R960 VanDerWaalsContact O-N 3.14Å; E957-I961 WeakPolarHBondContact O-CG1 3.27Å; E957-I961 PolarHBondContact O-N 2.83Å |
| 958 | M | 48.4 | Very low | 49.1 | Very low | 83 Ų | 83 | 109.9 Ų | 109.9 | 41% | 0.409 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.9 | -179.4 | 166.6 | -85.7 | 0 | 0 | 111.8 | N954 N955 I961 L962 | N954-M958 WeakPolarHBondContact O-CB 3.32Å; N954-M958 PolarHBondContact O-N 3.39Å; N955-M958 PolarHBondContact O-N 3.43Å; M958-I961 PolarHBondContact O-N 2.91Å; M958-L962 HydrophobicContact CG-CD1 4.45Å; M958-L962 PolarHBondContact O-N 2.88Å |
| 959 | N | 57.5 | Low | 49.1 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 173.3 | -71.3 | -24.3 | 0 | 0 | 0 | 112.2 | N955 E957 I961 L962 N963 | N955-N959 WeakPolarHBondContact O-CB 3.18Å; N955-N959 PolarHBondContact O-N 3.45Å; N955-N959 PolarHBondContact O-ND2 3.38Å; E957-N959 VanDerWaalsContact C-N 3.31Å; E957-N959 PolarHBondContact O-N 3.47Å; N959-I961 VanDerWaalsContact C-N 3.31Å; N959-I961 PolarHBondContact O-N 2.85Å; N959-L962 PolarHBondContact O-N 3.02Å; N959-N963 WeakPolarHBondContact O-CB 3.41Å; N959-N963 PolarHBondContact O-N 2.91Å; N959-N963 PolarHBondContact O-OD1 2.86Å; N959-N963 VanDerWaalsContact O-OD1 3.13Å |
| 960 | R | 52 | Low | 49.3 | Very low | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 173.1 | -86 | 179.5 | 159.2 | 163.7 | -4.1 | 112 | N956 E957 H964 | N956-R960 PolarHBondContact O-N 2.98Å; E957-R960 WeakPolarHBondContact O-CB 3.44Å; E957-R960 PolarHBondContact O-N 3.25Å; E957-R960 VanDerWaalsContact O-N 3.14Å; R960-H964 PolarHBondContact O-N 3.25Å |
| 961 | I | 50.3 | Low | 49.2 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 42% | 0.415 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 177.3 | -66.7 | 166.3 | 0 | 0 | 0 | 111.3 | E957 M958 N959 H964 L965 | E957-I961 WeakPolarHBondContact O-CG1 3.27Å; E957-I961 PolarHBondContact O-N 2.83Å; M958-I961 PolarHBondContact O-N 2.91Å; N959-I961 VanDerWaalsContact C-N 3.31Å; N959-I961 PolarHBondContact O-N 2.85Å; I961-H964 PolarHBondContact O-N 2.89Å; I961-L965 HydrophobicContact CG2-CD1 4.05Å; I961-L965 WeakPolarHBondContact O-CG 3.49Å; I961-L965 PolarHBondContact O-N 2.83Å |
| 962 | L | 51 | Low | 49 | Very low | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.1 | -51 | 175.7 | -116.2 | 74.9 | 0 | 0 | 0 | 111.3 | M958 N959 H964 L965 E966 | M958-L962 HydrophobicContact CG-CD1 4.45Å; M958-L962 PolarHBondContact O-N 2.88Å; N959-L962 PolarHBondContact O-N 3.02Å; L962-H964 VanDerWaalsContact C-N 3.25Å; L962-H964 PolarHBondContact O-N 3.07Å; L962-L965 PolarHBondContact O-N 3.34Å; L962-L965 VanDerWaalsContact O-N 3.08Å; L962-E966 WeakPolarHBondContact O-CB 3.42Å; L962-E966 PolarHBondContact O-N 2.86Å |
| 963 | N | 55.3 | Low | 49.1 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | -179.7 | -65.5 | 7.8 | 0 | 0 | 0 | 112 | N959 M967 | N959-N963 WeakPolarHBondContact O-CB 3.41Å; N959-N963 PolarHBondContact O-N 2.91Å; N959-N963 PolarHBondContact O-OD1 2.86Å; N959-N963 VanDerWaalsContact O-OD1 3.13Å; N963-M967 VanDerWaalsContact O-CB 3.32Å; N963-M967 WeakPolarHBondContact O-CB 3.32Å; N963-M967 PolarHBondContact O-N 2.94Å |
| 964 | H | 49.2 | Very low | 49.2 | Very low | 126 Ų | 126 | 94.1 Ų | 94.1 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | 174.9 | -115.1 | 57.4 | 0 | 0 | 0 | 112.7 | R960 I961 L962 L968 | R960-H964 PolarHBondContact O-N 3.25Å; I961-H964 PolarHBondContact O-N 2.89Å; L962-H964 VanDerWaalsContact C-N 3.25Å; L962-H964 PolarHBondContact O-N 3.07Å; H964-L968 WeakPolarHBondContact O-CB 3.28Å; H964-L968 VanDerWaalsContact O-CG 3.27Å; H964-L968 WeakPolarHBondContact O-CG 3.45Å; H964-L968 PolarHBondContact O-N 2.88Å |
| 965 | L | 44.9 | Very low | 48.9 | Very low | 72 Ų | 72 | 93.4 Ų | 93.4 | 38% | 0.377 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 175.9 | -71 | 168.9 | 0 | 0 | 0 | 111.8 | I961 L962 L968 S969 | I961-L965 HydrophobicContact CG2-CD1 4.05Å; I961-L965 WeakPolarHBondContact O-CG 3.49Å; I961-L965 PolarHBondContact O-N 2.83Å; L962-L965 PolarHBondContact O-N 3.34Å; L962-L965 VanDerWaalsContact O-N 3.08Å; L965-L968 PolarHBondContact O-N 2.67Å; L965-S969 WeakPolarHBondContact O-CB 3.48Å; L965-S969 PolarHBondContact O-N 3.36Å |
| 966 | E | 49.9 | Very low | 48.7 | Very low | 135 Ų | 135 | 91.5 Ų | 91.5 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 177.2 | -166.8 | 165 | -122.2 | 0 | 0 | 111.5 | L962 S969 M970 | L962-E966 WeakPolarHBondContact O-CB 3.42Å; L962-E966 PolarHBondContact O-N 2.86Å; E966-S969 PolarHBondContact O-N 3.39Å; E966-M970 WeakPolarHBondContact O-CB 3.32Å; E966-M970 WeakPolarHBondContact O-CG 3.32Å; E966-M970 PolarHBondContact O-N 2.68Å |
| 967 | M | 50.4 | Low | 48.4 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 42% | 0.424 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 173.7 | -166.4 | -75 | -70.2 | 0 | 0 | 112.1 | N963 S969 M970 N971 | N963-M967 VanDerWaalsContact O-CB 3.32Å; N963-M967 WeakPolarHBondContact O-CB 3.32Å; N963-M967 PolarHBondContact O-N 2.94Å; M967-S969 VanDerWaalsContact C-N 3.33Å; M967-S969 PolarHBondContact O-N 3.49Å; M967-M970 PolarHBondContact O-N 3.16Å; M967-N971 PolarHBondContact O-N 3.24Å |
| 968 | L | 42.6 | Very low | 48.1 | Very low | 93 Ų | 93 | 91.9 Ų | 91.9 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 174.5 | -73.5 | 168.4 | 0 | 0 | 0 | 112.6 | H964 L965 S972 | H964-L968 WeakPolarHBondContact O-CB 3.28Å; H964-L968 VanDerWaalsContact O-CG 3.27Å; H964-L968 WeakPolarHBondContact O-CG 3.45Å; H964-L968 PolarHBondContact O-N 2.88Å; L965-L968 PolarHBondContact O-N 2.67Å; L968-S972 WeakPolarHBondContact O-CB 3.23Å; L968-S972 PolarHBondContact O-N 2.78Å |
| 969 | S | 46 | Very low | 47.8 | Very low | 76 Ų | 76 | 92.6 Ų | 92.6 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 174.6 | -166.5 | 0 | 0 | 0 | 0 | 111.6 | L965 E966 M967 N971 S972 E973 | L965-S969 WeakPolarHBondContact O-CB 3.48Å; L965-S969 PolarHBondContact O-N 3.36Å; E966-S969 PolarHBondContact O-N 3.39Å; M967-S969 VanDerWaalsContact C-N 3.33Å; M967-S969 PolarHBondContact O-N 3.49Å; S969-N971 VanDerWaalsContact C-N 3.33Å; S969-N971 PolarHBondContact O-N 3.16Å; S969-S972 PolarHBondContact O-N 3.48Å; S969-E973 PolarHBondContact O-N 2.89Å |
| 970 | M | 48.8 | Very low | 47.2 | Very low | 94 Ų | 94 | 91.3 Ų | 91.3 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 174.7 | -79.2 | -86.4 | -78.2 | 0 | 0 | 112 | E966 M967 E973 K974 | E966-M970 WeakPolarHBondContact O-CB 3.32Å; E966-M970 WeakPolarHBondContact O-CG 3.32Å; E966-M970 PolarHBondContact O-N 2.68Å; M967-M970 PolarHBondContact O-N 3.16Å; M970-E973 PolarHBondContact O-N 3.15Å; M970-K974 PolarHBondContact O-N 3.25Å |
| 971 | N | 45.9 | Very low | 47 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 35% | 0.348 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.4 | -37.1 | -178.7 | -147.7 | 40.6 | 0 | 0 | 0 | 112.2 | M967 S969 E973 K974 Q975 | M967-N971 PolarHBondContact O-N 3.24Å; S969-N971 VanDerWaalsContact C-N 3.33Å; S969-N971 PolarHBondContact O-N 3.16Å; N971-E973 VanDerWaalsContact C-N 3.33Å; N971-E973 PolarHBondContact O-N 2.82Å; N971-K974 PolarHBondContact O-N 3.35Å; N971-Q975 WeakPolarHBondContact O-CG 3.49Å; N971-Q975 PolarHBondContact O-N 3Å |
| 972 | S | 43.7 | Very low | 46.5 | Very low | 59 Ų | 59 | 91.2 Ų | 91.2 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 170.6 | -175.9 | 0 | 0 | 0 | 0 | 112 | L968 S969 S976 | L968-S972 WeakPolarHBondContact O-CB 3.23Å; L968-S972 PolarHBondContact O-N 2.78Å; S969-S972 PolarHBondContact O-N 3.48Å; S972-S976 VanDerWaalsContact O-CB 3.28Å; S972-S976 WeakPolarHBondContact O-CB 3.48Å; S972-S976 PolarHBondContact O-N 2.83Å |
| 973 | E | 45.8 | Very low | 46.1 | Very low | 99 Ų | 99 | 89.7 Ų | 89.7 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 177.9 | -157.6 | -173.8 | 138.5 | 0 | 0 | 112.5 | S969 M970 N971 S976 K977 | S969-E973 PolarHBondContact O-N 2.89Å; M970-E973 PolarHBondContact O-N 3.15Å; N971-E973 VanDerWaalsContact C-N 3.33Å; N971-E973 PolarHBondContact O-N 2.82Å; E973-S976 PolarHBondContact O-N 2.82Å; E973-K977 WeakPolarHBondContact O-CG 3.34Å; E973-K977 PolarHBondContact O-N 3.32Å; E973-K977 WeakPolarHBondContact OE1-CE 3.21Å; E973-K977 IonicContact OE1-NZ 3.92Å; E973-K977 PolarHBondContact OE1-NZ 2.86Å |
| 974 | K | 49.3 | Very low | 45.7 | Very low | 67 Ų | 67 | 90.7 Ų | 90.7 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 172.4 | -77.4 | -176.9 | 176.6 | -179.2 | 0 | 111.3 | E916 M970 N971 S976 K977 Q978 | E916-K974 IonicContact OE2-NZ 3.9Å; M970-K974 PolarHBondContact O-N 3.25Å; N971-K974 PolarHBondContact O-N 3.35Å; K974-S976 VanDerWaalsContact C-N 3.34Å; K974-S976 PolarHBondContact O-N 3.04Å; K974-K977 PolarHBondContact O-N 3.05Å; K974-Q978 PolarHBondContact O-N 3.36Å; K974-Q978 VanDerWaalsContact O-N 3.08Å |
| 975 | Q | 42.9 | Very low | 45.3 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.8 | -71.4 | -179.6 | -6.9 | 0 | 0 | 112.3 | N971 Q978 F979 E1097 | N971-Q975 WeakPolarHBondContact O-CG 3.49Å; N971-Q975 PolarHBondContact O-N 3Å; Q975-Q978 PolarHBondContact O-N 2.99Å; Q975-F979 PolarHBondContact O-N 3.01Å; Q975-E1097 PolarHBondContact NE2-OE1 2.98Å |
| 976 | S | 45.9 | Very low | 45.2 | Very low | 56 Ų | 56 | 89.6 Ų | 89.6 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | S972 E973 K974 Q978 F979 E980 | S972-S976 VanDerWaalsContact O-CB 3.28Å; S972-S976 WeakPolarHBondContact O-CB 3.48Å; S972-S976 PolarHBondContact O-N 2.83Å; E973-S976 PolarHBondContact O-N 2.82Å; K974-S976 VanDerWaalsContact C-N 3.34Å; K974-S976 PolarHBondContact O-N 3.04Å; S976-Q978 VanDerWaalsContact C-N 3.32Å; S976-Q978 PolarHBondContact O-N 3.48Å; S976-F979 PolarHBondContact O-N 2.95Å; S976-F979 VanDerWaalsContact O-N 3.13Å; S976-E980 PolarHBondContact O-N 3.47Å |
| 977 | K | 47.5 | Very low | 44.9 | Very low | 126 Ų | 126 | 86.3 Ų | 86.3 | 55% | 0.548 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 176.1 | -73.4 | 168.7 | -178.8 | 167.6 | 0 | 112.3 | E973 K974 F979 E980 Y981 | E973-K977 WeakPolarHBondContact O-CG 3.34Å; E973-K977 PolarHBondContact O-N 3.32Å; E973-K977 WeakPolarHBondContact OE1-CE 3.21Å; E973-K977 IonicContact OE1-NZ 3.92Å; E973-K977 PolarHBondContact OE1-NZ 2.86Å; K974-K977 PolarHBondContact O-N 3.05Å; K977-F979 VanDerWaalsContact C-N 3.33Å; K977-E980 PolarHBondContact O-N 2.84Å; K977-Y981 PolarHBondContact O-N 2.89Å |
| 978 | Q | 42.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 175.5 | -165.1 | 172.2 | 6.6 | 0 | 0 | 112 | K974 Q975 S976 I982 | K974-Q978 PolarHBondContact O-N 3.36Å; K974-Q978 VanDerWaalsContact O-N 3.08Å; Q975-Q978 PolarHBondContact O-N 2.99Å; S976-Q978 VanDerWaalsContact C-N 3.32Å; S976-Q978 PolarHBondContact O-N 3.48Å; Q978-I982 WeakPolarHBondContact O-CG1 3.25Å; Q978-I982 PolarHBondContact O-N 2.98Å |
| 979 | F | 41.9 | Very low | 44.6 | Very low | 97 Ų | 97 | 85.1 Ų | 85.1 | 43% | 0.425 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 174.2 | -104.9 | -69.8 | 0 | 0 | 0 | 113.9 | Q975 S976 K977 Y981 I982 L983 F1206 | Q975-F979 PolarHBondContact O-N 3.01Å; S976-F979 PolarHBondContact O-N 2.95Å; S976-F979 VanDerWaalsContact O-N 3.13Å; K977-F979 VanDerWaalsContact C-N 3.33Å; F979-Y981 VanDerWaalsContact C-N 3.33Å; F979-Y981 PolarHBondContact O-N 3.12Å; F979-I982 PolarHBondContact O-N 2.84Å; F979-L983 PolarHBondContact O-N 3.44Å; F979-F1206 HydrophobicContact CD1-CE1 4.06Å; F979-F1206 AromaticContact CD1-CZ 3.71Å; F979-F1206 HydrophobicContact CD1-CZ 3.71Å; F979-F1206 AromaticContact CE1-CE1 3.87Å; F979-F1206 HydrophobicContact CE1-CE1 3.87Å; F979-F1206 AromaticContact CE1-CZ 3.57Å; F979-F1206 HydrophobicContact CE1-CZ 3.57Å; F979-F1206 HydrophobicContact CZ-CE1 4.2Å; F979-F1206 HydrophobicContact CZ-CZ 4.33Å |
| 980 | E | 44.1 | Very low | 44.5 | Very low | 57 Ų | 57 | 84.9 Ų | 84.9 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.1 | -75.2 | -146.1 | 148 | 0 | 0 | 111.9 | S976 K977 I982 L983 D984 K1263 | S976-E980 PolarHBondContact O-N 3.47Å; K977-E980 PolarHBondContact O-N 2.84Å; E980-I982 VanDerWaalsContact C-N 3.31Å; E980-I982 PolarHBondContact O-N 3.02Å; E980-L983 PolarHBondContact O-N 3.03Å; E980-L983 VanDerWaalsContact O-N 3.13Å; E980-D984 PolarHBondContact O-N 3.21Å; E980-K1263 VanDerWaalsContact CD-NZ 3.31Å; E980-K1263 WeakPolarHBondContact OE1-CD 2.96Å; E980-K1263 IonicContact OE1-NZ 3.7Å; E980-K1263 PolarHBondContact OE1-NZ 3.46Å; E980-K1263 IonicContact OE2-NZ 3.36Å; E980-K1263 PolarHBondContact OE2-NZ 2.88Å |
| 981 | Y | 48.9 | Very low | 44.4 | Very low | 136 Ų | 136 | 84.1 Ų | 84.1 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 175 | 178.5 | -101.3 | 0 | 0 | 0 | 112.5 | K977 F979 D984 Q985 | K977-Y981 PolarHBondContact O-N 2.89Å; F979-Y981 VanDerWaalsContact C-N 3.33Å; F979-Y981 PolarHBondContact O-N 3.12Å; Y981-D984 PolarHBondContact O-N 3.08Å; Y981-Q985 HydrophobicContact CD1-CG 4.47Å; Y981-Q985 HydrophobicContact CE1-CG 4.1Å; Y981-Q985 HydrophobicContact CE2-CG 4.45Å; Y981-Q985 VanDerWaalsContact O-CG 3.29Å; Y981-Q985 WeakPolarHBondContact O-CG 3.43Å; Y981-Q985 PolarHBondContact O-N 3.12Å; Y981-Q985 PolarHBondContact OH-NE2 3.31Å |
| 982 | I | 40.2 | Very low | 44.3 | Very low | 93 Ų | 93 | 85.1 Ų | 85.1 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.3 | -67.4 | 167.2 | 0 | 0 | 0 | 111.2 | Q978 F979 E980 Q985 L986 | Q978-I982 WeakPolarHBondContact O-CG1 3.25Å; Q978-I982 PolarHBondContact O-N 2.98Å; F979-I982 PolarHBondContact O-N 2.84Å; E980-I982 VanDerWaalsContact C-N 3.31Å; E980-I982 PolarHBondContact O-N 3.02Å; I982-Q985 PolarHBondContact O-N 2.99Å; I982-L986 PolarHBondContact O-N 2.99Å |
| 983 | L | 42.3 | Very low | 44 | Very low | 67 Ų | 67 | 85.1 Ų | 85.1 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 178.6 | -167.9 | 65.7 | 0 | 0 | 0 | 112 | F979 E980 L986 N987 | F979-L983 PolarHBondContact O-N 3.44Å; E980-L983 PolarHBondContact O-N 3.03Å; E980-L983 VanDerWaalsContact O-N 3.13Å; L983-L986 WeakPolarHBondContact O-CB 3.4Å; L983-L986 PolarHBondContact O-N 3.22Å; L983-N987 PolarHBondContact O-N 2.97Å; L983-N987 PolarHBondContact O-ND2 3.04Å; L983-N987 VanDerWaalsContact O-ND2 3.13Å |
| 984 | D | 46.8 | Very low | 43.9 | Very low | 108 Ų | 108 | 85 Ų | 85 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 174.1 | -87.8 | -9.3 | 0 | 0 | 0 | 112.1 | E980 Y981 L986 N987 E988 | E980-D984 PolarHBondContact O-N 3.21Å; Y981-D984 PolarHBondContact O-N 3.08Å; D984-L986 VanDerWaalsContact C-N 3.29Å; D984-L986 PolarHBondContact O-N 3.44Å; D984-N987 PolarHBondContact O-N 3.25Å; D984-E988 WeakPolarHBondContact O-CB 3.38Å; D984-E988 PolarHBondContact O-N 3.01Å |
| 985 | Q | 41.6 | Very low | 43.6 | Very low | 82 Ų | 82 | 89.5 Ų | 89.5 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 172.4 | -69.4 | -69.2 | -26.3 | 0 | 0 | 112.2 | Y981 I982 T989 | Y981-Q985 HydrophobicContact CD1-CG 4.47Å; Y981-Q985 HydrophobicContact CE1-CG 4.1Å; Y981-Q985 HydrophobicContact CE2-CG 4.45Å; Y981-Q985 VanDerWaalsContact O-CG 3.29Å; Y981-Q985 WeakPolarHBondContact O-CG 3.43Å; Y981-Q985 PolarHBondContact O-N 3.12Å; Y981-Q985 PolarHBondContact OH-NE2 3.31Å; I982-Q985 PolarHBondContact O-N 2.99Å; Q985-T989 WeakPolarHBondContact O-CG2 3.37Å; Q985-T989 PolarHBondContact O-N 3.26Å; Q985-T989 PolarHBondContact O-OG1 2.71Å |
| 986 | L | 41.5 | Very low | 43.5 | Very low | 94 Ų | 94 | 88.1 Ų | 88.1 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.3 | -165.3 | 71.9 | 0 | 0 | 0 | 111.7 | I982 L983 D984 T989 K990 | I982-L986 PolarHBondContact O-N 2.99Å; L983-L986 WeakPolarHBondContact O-CB 3.4Å; L983-L986 PolarHBondContact O-N 3.22Å; D984-L986 VanDerWaalsContact C-N 3.29Å; D984-L986 PolarHBondContact O-N 3.44Å; L986-T989 WeakPolarHBondContact CA-OG1 3.14Å; L986-T989 PolarHBondContact O-OG1 2.81Å; L986-K990 WeakPolarHBondContact O-CB 3.16Å; L986-K990 PolarHBondContact O-N 2.84Å |
| 987 | N | 44.1 | Very low | 43.3 | Very low | 66 Ų | 66 | 88.2 Ų | 88.2 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.2 | -72.2 | -41.7 | 0 | 0 | 0 | 112.2 | L983 D984 K990 L991 | L983-N987 PolarHBondContact O-N 2.97Å; L983-N987 PolarHBondContact O-ND2 3.04Å; L983-N987 VanDerWaalsContact O-ND2 3.13Å; D984-N987 PolarHBondContact O-N 3.25Å; N987-K990 WeakPolarHBondContact O-CB 3.48Å; N987-K990 PolarHBondContact O-N 2.92Å; N987-L991 PolarHBondContact O-N 2.93Å |
| 988 | E | 45.7 | Very low | 43.1 | Very low | 89 Ų | 89 | 87.7 Ų | 87.7 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 179.8 | -152.5 | -136.9 | 167.8 | 0 | 0 | 111.9 | D984 K992 | D984-E988 WeakPolarHBondContact O-CB 3.38Å; D984-E988 PolarHBondContact O-N 3.01Å; E988-K992 WeakPolarHBondContact O-CD 3.39Å; E988-K992 VanDerWaalsContact O-CG 3.24Å; E988-K992 WeakPolarHBondContact O-CG 3.44Å; E988-K992 PolarHBondContact O-N 2.9Å; E988-K992 VanDerWaalsContact O-N 3.15Å; E988-K992 WeakPolarHBondContact OE1-CE 3.34Å; E988-K992 IonicContact OE1-NZ 2.61Å; E988-K992 PolarHBondContact OE1-NZ 3.09Å; E988-K992 IonicContact OE2-NZ 2.66Å; E988-K992 PolarHBondContact OE2-NZ 3.39Å |
| 989 | T | 41.4 | Very low | 43.1 | Very low | 64 Ų | 64 | 85.8 Ų | 85.8 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 172.5 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | Q985 L986 K992 L993 | Q985-T989 WeakPolarHBondContact O-CG2 3.37Å; Q985-T989 PolarHBondContact O-N 3.26Å; Q985-T989 PolarHBondContact O-OG1 2.71Å; L986-T989 WeakPolarHBondContact CA-OG1 3.14Å; L986-T989 PolarHBondContact O-OG1 2.81Å; T989-K992 WeakPolarHBondContact O-CB 3.44Å; T989-K992 PolarHBondContact O-N 2.9Å; T989-L993 PolarHBondContact O-N 3.45Å |
| 990 | K | 43.8 | Very low | 42.8 | Very low | 72 Ų | 72 | 84 Ų | 84 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -49.5 | 170.8 | -176.6 | 175.8 | -177.4 | 172.6 | 0 | 112.2 | L986 N987 K992 L993 E994 E1199 | L986-K990 WeakPolarHBondContact O-CB 3.16Å; L986-K990 PolarHBondContact O-N 2.84Å; N987-K990 WeakPolarHBondContact O-CB 3.48Å; N987-K990 PolarHBondContact O-N 2.92Å; K990-K992 PolarHBondContact O-N 3.29Å; K990-L993 WeakPolarHBondContact O-CB 3.4Å; K990-L993 PolarHBondContact O-N 3.37Å; K990-E994 WeakPolarHBondContact CE-OE1 3.42Å; K990-E994 PolarHBondContact O-N 3.25Å; K990-E1199 IonicContact NZ-OE1 2.75Å; K990-E1199 PolarHBondContact NZ-OE1 2.86Å; K990-E1199 IonicContact NZ-OE2 2.69Å |
| 991 | L | 46.6 | Very low | 42.8 | Very low | 78 Ų | 78 | 89.1 Ų | 89.1 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -29.7 | 177.7 | -165 | 75.7 | 0 | 0 | 0 | 112.8 | N987 R995 | N987-L991 PolarHBondContact O-N 2.93Å; L991-R995 WeakPolarHBondContact O-CG 3.49Å; L991-R995 PolarHBondContact O-N 3.25Å |
| 992 | K | 42.9 | Very low | 42.5 | Very low | 86 Ų | 86 | 86 Ų | 86 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.9 | -32.6 | 172.8 | -73.1 | 163.8 | -177.1 | 170.2 | 0 | 112.6 | E988 T989 K990 L996 | E988-K992 WeakPolarHBondContact O-CD 3.39Å; E988-K992 VanDerWaalsContact O-CG 3.24Å; E988-K992 WeakPolarHBondContact O-CG 3.44Å; E988-K992 PolarHBondContact O-N 2.9Å; E988-K992 VanDerWaalsContact O-N 3.15Å; E988-K992 WeakPolarHBondContact OE1-CE 3.34Å; E988-K992 IonicContact OE1-NZ 2.61Å; E988-K992 PolarHBondContact OE1-NZ 3.09Å; E988-K992 IonicContact OE2-NZ 2.66Å; E988-K992 PolarHBondContact OE2-NZ 3.39Å; T989-K992 WeakPolarHBondContact O-CB 3.44Å; T989-K992 PolarHBondContact O-N 2.9Å; K990-K992 PolarHBondContact O-N 3.29Å; K992-L996 PolarHBondContact O-N 3.12Å |
| 993 | L | 39.1 | Very low | 42.5 | Very low | 58 Ų | 58 | 85 Ų | 85 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.6 | -44.2 | 174.9 | -76.1 | 160.6 | 0 | 0 | 0 | 111.9 | T989 K990 R995 L996 E997 | T989-L993 PolarHBondContact O-N 3.45Å; K990-L993 WeakPolarHBondContact O-CB 3.4Å; K990-L993 PolarHBondContact O-N 3.37Å; L993-R995 VanDerWaalsContact C-N 3.3Å; L993-R995 PolarHBondContact O-N 2.96Å; L993-L996 WeakPolarHBondContact O-CA 3.16Å; L993-L996 WeakPolarHBondContact O-CB 3.17Å; L993-L996 PolarHBondContact O-N 3.37Å; L993-E997 PolarHBondContact O-N 3.01Å |
| 994 | E | 43.3 | Very low | 42.5 | Very low | 98 Ų | 98 | 85.4 Ų | 85.4 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 176.6 | -70.2 | 169.3 | -179.4 | 0 | 0 | 111.9 | K990 L996 E997 Q998 | K990-E994 WeakPolarHBondContact CE-OE1 3.42Å; K990-E994 PolarHBondContact O-N 3.25Å; E994-L996 VanDerWaalsContact C-N 3.32Å; E994-L996 PolarHBondContact O-N 3.26Å; E994-E997 PolarHBondContact O-N 3.12Å; E994-Q998 PolarHBondContact O-N 2.92Å |
| 995 | R | 43.5 | Very low | 42.3 | Very low | 161 Ų | 161 | 86.1 Ų | 86.1 | 61% | 0.608 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.1 | -32.6 | 173.4 | -74.1 | 173.2 | 178.3 | 162.6 | 2.1 | 113.4 | L991 L993 T999 | L991-R995 WeakPolarHBondContact O-CG 3.49Å; L991-R995 PolarHBondContact O-N 3.25Å; L993-R995 VanDerWaalsContact C-N 3.3Å; L993-R995 PolarHBondContact O-N 2.96Å; R995-T999 WeakPolarHBondContact O-CB 3.38Å; R995-T999 PolarHBondContact O-N 3.43Å; R995-T999 VanDerWaalsContact O-N 3.1Å; R995-T999 PolarHBondContact O-OG1 3.14Å |
| 996 | L | 39.8 | Very low | 42.2 | Very low | 52 Ų | 52 | 88.3 Ų | 88.3 | 27% | 0.272 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.3 | -39.1 | 177.4 | -169.4 | 67.6 | 0 | 0 | 0 | 111.1 | K992 L993 E994 T999 Q1000 | K992-L996 PolarHBondContact O-N 3.12Å; L993-L996 WeakPolarHBondContact O-CA 3.16Å; L993-L996 WeakPolarHBondContact O-CB 3.17Å; L993-L996 PolarHBondContact O-N 3.37Å; E994-L996 VanDerWaalsContact C-N 3.32Å; E994-L996 PolarHBondContact O-N 3.26Å; L996-T999 PolarHBondContact O-N 2.77Å; L996-Q1000 WeakPolarHBondContact O-CB 3.47Å; L996-Q1000 PolarHBondContact O-N 3.32Å |
| 997 | E | 40.7 | Very low | 42 | Very low | 58 Ų | 58 | 88 Ų | 88 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.6 | -173.9 | 175.9 | 163.9 | 0 | 0 | 111.5 | L993 E994 T999 Q1000 Y1001 K1192 | L993-E997 PolarHBondContact O-N 3.01Å; E994-E997 PolarHBondContact O-N 3.12Å; E997-T999 PolarHBondContact O-N 2.74Å; E997-Q1000 WeakPolarHBondContact O-CB 3.46Å; E997-Q1000 PolarHBondContact O-N 3.31Å; E997-Y1001 PolarHBondContact O-N 3.35Å; E997-K1192 WeakPolarHBondContact OE1-CE 3.25Å; E997-K1192 IonicContact OE1-NZ 2.65Å; E997-K1192 PolarHBondContact OE1-NZ 2.92Å; E997-K1192 IonicContact OE2-NZ 3.93Å |
| 998 | Q | 43.8 | Very low | 41.7 | Very low | 114 Ų | 114 | 89.3 Ų | 89.3 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.7 | -174.1 | 63.4 | 61.2 | 0 | 0 | 111.8 | E994 Q1000 Y1001 D1002 | E994-Q998 PolarHBondContact O-N 2.92Å; Q998-Q1000 PolarHBondContact O-N 2.78Å; Q998-Y1001 WeakPolarHBondContact O-CB 3.45Å; Q998-Y1001 PolarHBondContact O-N 3.29Å; Q998-Y1001 VanDerWaalsContact O-N 3.09Å; Q998-D1002 PolarHBondContact NE2-OD1 2.99Å; Q998-D1002 VanDerWaalsContact O-CG 3.27Å; Q998-D1002 PolarHBondContact O-N 3.03Å; Q998-D1002 VanDerWaalsContact O-OD1 3.12Å |
| 999 | T | 42.3 | Very low | 41.4 | Very low | 72 Ų | 72 | 89.8 Ų | 89.8 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -35 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | R995 L996 E997 I1003 | R995-T999 WeakPolarHBondContact O-CB 3.38Å; R995-T999 PolarHBondContact O-N 3.43Å; R995-T999 VanDerWaalsContact O-N 3.1Å; R995-T999 PolarHBondContact O-OG1 3.14Å; L996-T999 PolarHBondContact O-N 2.77Å; E997-T999 PolarHBondContact O-N 2.74Å; T999-I1003 HydrophobicContact CG2-CD1 4.23Å; T999-I1003 WeakPolarHBondContact O-CD1 3.13Å; T999-I1003 VanDerWaalsContact O-CG1 3.26Å; T999-I1003 WeakPolarHBondContact O-CG1 3.41Å; T999-I1003 PolarHBondContact O-N 3.35Å |
| 1000 | Q | 37.5 | Very low | 41.1 | Very low | 59 Ų | 59 | 91.9 Ų | 91.9 | 28% | 0.276 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 176.2 | -177.2 | 175 | -17.1 | 0 | 0 | 112 | L996 E997 Q998 I1003 I1004 N1184 | L996-Q1000 WeakPolarHBondContact O-CB 3.47Å; L996-Q1000 PolarHBondContact O-N 3.32Å; E997-Q1000 WeakPolarHBondContact O-CB 3.46Å; E997-Q1000 PolarHBondContact O-N 3.31Å; Q998-Q1000 PolarHBondContact O-N 2.78Å; Q1000-I1003 PolarHBondContact O-N 2.99Å; Q1000-I1004 HydrophobicContact CG-CD1 4.06Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; Q1000-I1004 PolarHBondContact O-N 2.96Å; Q1000-N1184 VanDerWaalsContact NE2-CG 3.32Å |
| 1001 | Y | 43.5 | Very low | 40.7 | Very low | 164 Ų | 164 | 94.8 Ų | 94.8 | 64% | 0.643 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 174 | -131.2 | -83.1 | 0 | 0 | 0 | 111.5 | E997 Q998 I1003 I1004 E1005 | E997-Y1001 PolarHBondContact O-N 3.35Å; Q998-Y1001 WeakPolarHBondContact O-CB 3.45Å; Q998-Y1001 PolarHBondContact O-N 3.29Å; Q998-Y1001 VanDerWaalsContact O-N 3.09Å; Y1001-I1003 PolarHBondContact O-N 3.48Å; Y1001-I1004 PolarHBondContact O-N 3.43Å; Y1001-I1004 VanDerWaalsContact O-N 3.13Å; Y1001-E1005 PolarHBondContact O-N 3.33Å |
| 1002 | D | 42.8 | Very low | 40 | Very low | 70 Ų | 70 | 101.1 Ų | 101.1 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -33 | 177.9 | -60 | -1.7 | 0 | 0 | 0 | 112.1 | Q998 Q1006 | Q998-D1002 PolarHBondContact NE2-OD1 2.99Å; Q998-D1002 VanDerWaalsContact O-CG 3.27Å; Q998-D1002 PolarHBondContact O-N 3.03Å; Q998-D1002 VanDerWaalsContact O-OD1 3.12Å; D1002-Q1006 VanDerWaalsContact O-CG 3.31Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.22Å; D1002-Q1006 PolarHBondContact O-N 3.34Å; D1002-Q1006 PolarHBondContact O-NE2 3.37Å |
| 1003 | I | 40.2 | Very low | 39.4 | Very low | 74 Ų | 74 | 105.8 Ų | 105.8 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 175.7 | -71.9 | 166.4 | 0 | 0 | 0 | 111.4 | T999 Q1000 Y1001 E1005 Q1006 I1007 | T999-I1003 HydrophobicContact CG2-CD1 4.23Å; T999-I1003 WeakPolarHBondContact O-CD1 3.13Å; T999-I1003 VanDerWaalsContact O-CG1 3.26Å; T999-I1003 WeakPolarHBondContact O-CG1 3.41Å; T999-I1003 PolarHBondContact O-N 3.35Å; Q1000-I1003 PolarHBondContact O-N 2.99Å; Y1001-I1003 PolarHBondContact O-N 3.48Å; I1003-E1005 VanDerWaalsContact C-N 3.35Å; I1003-Q1006 PolarHBondContact O-N 2.91Å; I1003-I1007 HydrophobicContact CG2-CD1 3.85Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; I1003-I1007 PolarHBondContact O-N 3.48Å |
| 1004 | I | 41.2 | Very low | 39 | Very low | 75 Ų | 75 | 106.5 Ų | 106.5 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 177.8 | -69.8 | 166 | 0 | 0 | 0 | 110.6 | Q1000 Y1001 I1007 N1008 | Q1000-I1004 HydrophobicContact CG-CD1 4.06Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; Q1000-I1004 PolarHBondContact O-N 2.96Å; Y1001-I1004 PolarHBondContact O-N 3.43Å; Y1001-I1004 VanDerWaalsContact O-N 3.13Å; I1004-I1007 PolarHBondContact O-N 2.96Å; I1004-N1008 WeakPolarHBondContact O-CB 3.44Å; I1004-N1008 PolarHBondContact O-N 3.05Å; I1004-N1008 PolarHBondContact O-ND2 2.96Å |
| 1005 | E | 42.6 | Very low | 38.3 | Very low | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 172.8 | -173.5 | 171.8 | -166 | 0 | 0 | 111.8 | Y1001 I1003 N1008 N1009 | Y1001-E1005 PolarHBondContact O-N 3.33Å; I1003-E1005 VanDerWaalsContact C-N 3.35Å; E1005-N1008 PolarHBondContact O-N 2.88Å; E1005-N1009 PolarHBondContact O-N 3.42Å; E1005-N1009 VanDerWaalsContact O-N 3.08Å; E1005-N1009 PolarHBondContact O-ND2 2.83Å |
| 1006 | Q | 40.8 | Very low | 37.6 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -42.8 | 174.2 | -75.3 | 171 | 52.4 | 0 | 0 | 112.5 | D1002 I1003 N1009 V1010 | D1002-Q1006 VanDerWaalsContact O-CG 3.31Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.22Å; D1002-Q1006 PolarHBondContact O-N 3.34Å; D1002-Q1006 PolarHBondContact O-NE2 3.37Å; I1003-Q1006 PolarHBondContact O-N 2.91Å; Q1006-N1009 PolarHBondContact O-N 2.88Å; Q1006-V1010 WeakPolarHBondContact O-CG2 3.45Å; Q1006-V1010 PolarHBondContact O-N 3.31Å |
| 1007 | I | 35.9 | Very low | 37.4 | Very low | 89 Ų | 89 | 113 Ų | 113 | 46% | 0.456 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -43.2 | 178.3 | -69.5 | 167.2 | 0 | 0 | 0 | 111.1 | I1003 I1004 N1009 V1010 N1011 | I1003-I1007 HydrophobicContact CG2-CD1 3.85Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; I1003-I1007 PolarHBondContact O-N 3.48Å; I1004-I1007 PolarHBondContact O-N 2.96Å; I1007-N1009 VanDerWaalsContact C-N 3.33Å; I1007-N1009 PolarHBondContact O-N 3.34Å; I1007-V1010 PolarHBondContact O-N 2.81Å; I1007-V1010 VanDerWaalsContact O-N 3.17Å; I1007-N1011 PolarHBondContact O-N 3.29Å |
| 1008 | N | 37.8 | Very low | 37 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.3 | -36.3 | 177.4 | -76.6 | -35.6 | 0 | 0 | 0 | 112.5 | I1004 E1005 V1010 N1011 | I1004-N1008 WeakPolarHBondContact O-CB 3.44Å; I1004-N1008 PolarHBondContact O-N 3.05Å; I1004-N1008 PolarHBondContact O-ND2 2.96Å; E1005-N1008 PolarHBondContact O-N 2.88Å; N1008-V1010 VanDerWaalsContact C-N 3.31Å; N1008-V1010 PolarHBondContact O-N 3.38Å; N1008-N1011 PolarHBondContact O-N 2.9Å |
| 1009 | N | 39.1 | Very low | 36.8 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 53% | 0.529 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.3 | -27.3 | 174.6 | -82.4 | -69.8 | 0 | 0 | 0 | 113.5 | E1005 Q1006 I1007 | E1005-N1009 PolarHBondContact O-N 3.42Å; E1005-N1009 VanDerWaalsContact O-N 3.08Å; E1005-N1009 PolarHBondContact O-ND2 2.83Å; Q1006-N1009 PolarHBondContact O-N 2.88Å; I1007-N1009 VanDerWaalsContact C-N 3.33Å; I1007-N1009 PolarHBondContact O-N 3.34Å |
| 1010 | V | 36.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 66% | 0.655 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.7 | -37.1 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | Q1006 I1007 N1008 Y1012 Q1013 | Q1006-V1010 WeakPolarHBondContact O-CG2 3.45Å; Q1006-V1010 PolarHBondContact O-N 3.31Å; I1007-V1010 PolarHBondContact O-N 2.81Å; I1007-V1010 VanDerWaalsContact O-N 3.17Å; N1008-V1010 VanDerWaalsContact C-N 3.31Å; N1008-V1010 PolarHBondContact O-N 3.38Å; V1010-Y1012 PolarHBondContact O-N 3.1Å; V1010-Q1013 PolarHBondContact O-N 3.33Å |
| 1011 | N | 33.4 | Very low | 36.1 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -69.8 | -12.3 | 179.8 | -91.9 | -18.9 | 0 | 0 | 0 | 114.3 | I1007 N1008 | I1007-N1011 PolarHBondContact O-N 3.29Å; N1008-N1011 PolarHBondContact O-N 2.9Å |
| 1012 | Y | 33.9 | Very low | 35.3 | Very low | 211 Ų | 211 | 118.5 Ų | 118.5 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -89.4 | -0.9 | 180 | -95.6 | -82.6 | 0 | 0 | 0 | 115.6 | V1010 G1014 | V1010-Y1012 PolarHBondContact O-N 3.1Å; Y1012-G1014 VanDerWaalsContact C-N 3.34Å |
| 1013 | Q | 29.6 | Very low | 34.9 | Very low | 183 Ų | 183 | 120.9 Ų | 120.9 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -90.4 | 11.7 | 176.6 | -64.7 | -162.8 | -15.5 | 0 | 0 | 114.6 | V1010 | V1010-Q1013 PolarHBondContact O-N 3.33Š|
| 1014 | G | 30.3 | Very low | 34.4 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -90.3 | 4.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | Y1012 | Y1012-G1014 VanDerWaalsContact C-N 3.34Š|
| 1015 | S | 29.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | -153.7 | 97.6 | -175.7 | -170.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1016 | L | 27.6 | Very low | 33.2 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 73% | 0.73 | S | S | * | * | trans | -154.8 | 63.2 | 170.6 | -100 | -176.9 | 0 | 0 | 0 | 113.4 | ||||
| 1017 | I | 36.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | trans | -137.3 | 118.2 | 162.5 | -55.7 | -178.8 | 0 | 0 | 0 | 109.8 | ||||
| 1018 | P | 32.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 155.2 | -179.8 | 34.4 | -34.7 | 0 | 0 | 0 | 113.8 | ||
| 1019 | P | 40.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 158.4 | -173 | 37.3 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 1020 | P | 31.8 | Very low | 30.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 154.9 | 164 | 36.3 | -32.2 | 0 | 0 | 0 | 112.8 | ||
| 1021 | P | 32 | Very low | 30.2 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -111.6 | 160.9 | -166.6 | 40.2 | -34.5 | 0 | 0 | 0 | 117.3 | ||||
| 1022 | S | 27.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 72.3 | 152.2 | 163.8 | 79 | 0 | 0 | 0 | 0 | 117 | ||||
| 1023 | T | 33.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | -140.1 | 129 | 19.4 | 48.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1024 | Q | 30.1 | Very low | 29.3 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | 60.2 | 157.6 | 139.6 | -79.3 | -139.3 | -31.4 | 0 | 0 | 122.8 | ||||
| 1025 | P | 34.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -132.2 | 176.1 | -136.1 | 45 | -31.6 | 0 | 0 | 0 | 116.8 | ||||
| 1026 | S | 24.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -166.2 | 157.1 | 136.1 | 21.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1027 | N | 26.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 82.1 | 117.3 | 160 | -64.1 | -9.7 | 0 | 0 | 0 | 121.8 | ||||
| 1028 | I | 26.1 | Very low | 28.9 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 83.7 | 106.6 | 139.1 | -60.5 | 166.8 | 0 | 0 | 0 | 118.8 | T1030 | I1028-T1030 PolarHBondContact O-N 3.42Š| ||
| 1029 | V | 26.9 | Very low | 28.7 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -39.1 | 116.9 | 156.5 | 177.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1030 | T | 24.8 | Very low | 28.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -174.6 | -179.1 | 141.5 | 12.8 | 0 | 0 | 0 | 0 | 108.6 | I1028 | I1028-T1030 PolarHBondContact O-N 3.42Š| ||
| 1031 | M | 23.6 | Very low | 28.2 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | trans | 72.8 | 60.4 | 178.4 | -52.7 | -57.6 | 164.2 | 0 | 0 | 116.2 | ||||
| 1032 | T | 26.2 | Very low | 28.1 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -121 | 45 | 149.4 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1033 | E | 25.4 | Very low | 28.4 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -128.6 | 76.9 | 179.7 | -70 | -172.6 | 146.1 | 0 | 0 | 110.3 | ||||
| 1034 | S | 26.4 | Very low | 28.6 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -143.3 | -13.5 | 174.4 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1035 | N | 27.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -91.9 | -17.5 | -174.3 | -72.1 | 13.8 | 0 | 0 | 0 | 114.2 | N1037 L1038 | N1035-N1037 PolarHBondContact O-N 2.87Å; N1035-N1037 VanDerWaalsContact O-N 3.15Å; N1035-L1038 PolarHBondContact O-N 2.84Å; N1035-L1038 VanDerWaalsContact O-N 3.11Å |
| 1036 | T | 29.3 | Very low | 29 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.3 | -23.6 | -178.5 | 47 | 0 | 0 | 0 | 0 | 114 | H1040 | T1036-H1040 PolarHBondContact O-N 3.46Å |
| 1037 | N | 29 | Very low | 29.7 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.9 | -33.6 | 176.2 | -80.7 | -49.1 | 0 | 0 | 0 | 113 | N1035 H1040 W1041 | N1035-N1037 PolarHBondContact O-N 2.87Å; N1035-N1037 VanDerWaalsContact O-N 3.15Å; N1037-H1040 PolarHBondContact O-N 2.96Å; N1037-W1041 PolarHBondContact O-N 3.13Å; N1037-W1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | L | 27.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74 | -43.9 | -172.6 | -148.5 | 73.7 | 0 | 0 | 0 | 111.5 | N1035 H1040 W1041 E1042 | N1035-L1038 PolarHBondContact O-N 2.84Å; N1035-L1038 VanDerWaalsContact O-N 3.11Å; L1038-H1040 VanDerWaalsContact C-N 3.26Å; L1038-H1040 PolarHBondContact O-N 3.49Å; L1038-W1041 PolarHBondContact O-N 2.96Å; L1038-W1041 VanDerWaalsContact O-N 3.09Å; L1038-E1042 PolarHBondContact O-N 3.4Å |
| 1039 | E | 30 | Very low | 30.9 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.6 | -37.2 | 172.8 | -63.6 | 178.5 | 161.5 | 0 | 0 | 111.5 | E1042 I1043 | E1039-E1042 PolarHBondContact O-N 3.07Å; E1039-I1043 WeakPolarHBondContact O-CB 3.29Å; E1039-I1043 VanDerWaalsContact O-CG1 3.26Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.3Å; E1039-I1043 PolarHBondContact O-N 2.92Å |
| 1040 | H | 32.3 | Very low | 31.6 | Very low | 89 Ų | 89 | 113.3 Ų | 113.3 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69 | -30.8 | 175.7 | 177.4 | -122.7 | 0 | 0 | 0 | 113.1 | T1036 N1037 L1038 K1044 | T1036-H1040 PolarHBondContact O-N 3.46Å; N1037-H1040 PolarHBondContact O-N 2.96Å; L1038-H1040 VanDerWaalsContact C-N 3.26Å; L1038-H1040 PolarHBondContact O-N 3.49Å; H1040-K1044 WeakPolarHBondContact NE2-CE 3.27Å; H1040-K1044 PolarHBondContact NE2-NZ 2.85Å; H1040-K1044 WeakPolarHBondContact O-CB 3.43Å; H1040-K1044 WeakPolarHBondContact O-CG 3.15Å; H1040-K1044 PolarHBondContact O-N 3.13Å; H1040-K1044 VanDerWaalsContact O-N 3.08Å |
| 1041 | W | 27.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 113.1 Ų | 113.1 | 59% | 0.591 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.8 | -37.4 | 169.1 | -81.9 | 104.9 | 0 | 0 | 0 | 112.3 | N1037 L1038 S1045 | N1037-W1041 PolarHBondContact O-N 3.13Å; N1037-W1041 VanDerWaalsContact O-N 3.08Å; L1038-W1041 PolarHBondContact O-N 2.96Å; L1038-W1041 VanDerWaalsContact O-N 3.09Å; W1041-S1045 VanDerWaalsContact O-CB 3.24Å; W1041-S1045 WeakPolarHBondContact O-CB 3.43Å; W1041-S1045 PolarHBondContact O-N 3.3Å |
| 1042 | E | 29.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 108.5 Ų | 108.5 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -44 | 173.6 | -70.3 | -171.6 | 139.8 | 0 | 0 | 111.9 | L1038 E1039 K1044 S1045 I1046 | L1038-E1042 PolarHBondContact O-N 3.4Å; E1039-E1042 PolarHBondContact O-N 3.07Å; E1042-K1044 PolarHBondContact O-N 2.91Å; E1042-S1045 WeakPolarHBondContact O-CB 3.34Å; E1042-S1045 PolarHBondContact O-N 3.11Å; E1042-I1046 WeakPolarHBondContact O-CB 3.32Å; E1042-I1046 VanDerWaalsContact O-CG1 3.29Å; E1042-I1046 WeakPolarHBondContact O-CG1 3.19Å; E1042-I1046 PolarHBondContact O-N 2.95Å |
| 1043 | I | 35.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 104.6 Ų | 104.6 | 55% | 0.549 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.8 | -69.9 | 164.5 | 0 | 0 | 0 | 110.9 | E1039 I1046 E1047 | E1039-I1043 WeakPolarHBondContact O-CB 3.29Å; E1039-I1043 VanDerWaalsContact O-CG1 3.26Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.3Å; E1039-I1043 PolarHBondContact O-N 2.92Å; I1043-I1046 PolarHBondContact O-N 2.79Å; I1043-E1047 WeakPolarHBondContact O-CB 3.36Å; I1043-E1047 PolarHBondContact O-N 3.44Å |
| 1044 | K | 36.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 99 Ų | 99 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.2 | -30.1 | 175.8 | -76.6 | -174 | 170.8 | 179.9 | 0 | 113.6 | H1040 E1042 E1047 L1048 | H1040-K1044 WeakPolarHBondContact NE2-CE 3.27Å; H1040-K1044 PolarHBondContact NE2-NZ 2.85Å; H1040-K1044 WeakPolarHBondContact O-CB 3.43Å; H1040-K1044 WeakPolarHBondContact O-CG 3.15Å; H1040-K1044 PolarHBondContact O-N 3.13Å; H1040-K1044 VanDerWaalsContact O-N 3.08Å; E1042-K1044 PolarHBondContact O-N 2.91Å; K1044-E1047 PolarHBondContact O-N 3.21Å; K1044-L1048 VanDerWaalsContact O-CB 3.24Å; K1044-L1048 WeakPolarHBondContact O-CB 3.43Å; K1044-L1048 PolarHBondContact O-N 3.13Å |
| 1045 | S | 35 | Very low | 35.3 | Very low | 76 Ų | 76 | 99 Ų | 99 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 169.9 | -177.5 | 0 | 0 | 0 | 0 | 111 | W1041 E1042 S1049 | W1041-S1045 VanDerWaalsContact O-CB 3.24Å; W1041-S1045 WeakPolarHBondContact O-CB 3.43Å; W1041-S1045 PolarHBondContact O-N 3.3Å; E1042-S1045 WeakPolarHBondContact O-CB 3.34Å; E1042-S1045 PolarHBondContact O-N 3.11Å; S1045-S1049 WeakPolarHBondContact O-CB 3.43Å; S1045-S1049 PolarHBondContact O-N 3.4Å |
| 1046 | I | 38.5 | Very low | 35.8 | Very low | 99 Ų | 99 | 95.4 Ų | 95.4 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 175.6 | -69.7 | 163.6 | 0 | 0 | 0 | 111.3 | E1042 I1043 S1049 N1050 | E1042-I1046 WeakPolarHBondContact O-CB 3.32Å; E1042-I1046 VanDerWaalsContact O-CG1 3.29Å; E1042-I1046 WeakPolarHBondContact O-CG1 3.19Å; E1042-I1046 PolarHBondContact O-N 2.95Å; I1043-I1046 PolarHBondContact O-N 2.79Å; I1046-S1049 PolarHBondContact O-N 3.17Å; I1046-N1050 WeakPolarHBondContact CG2-ND2 3.33Å; I1046-N1050 WeakPolarHBondContact O-CB 3.19Å; I1046-N1050 VanDerWaalsContact O-CG 3.29Å; I1046-N1050 PolarHBondContact O-N 2.94Å; I1046-N1050 PolarHBondContact O-ND2 2.88Å |
| 1047 | E | 40.2 | Very low | 36.4 | Very low | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 176.4 | -170 | 171.2 | -154.4 | 0 | 0 | 111.6 | I1043 K1044 S1049 N1050 Q1051 | I1043-E1047 WeakPolarHBondContact O-CB 3.36Å; I1043-E1047 PolarHBondContact O-N 3.44Å; K1044-E1047 PolarHBondContact O-N 3.21Å; E1047-S1049 PolarHBondContact O-N 3.41Å; E1047-N1050 PolarHBondContact O-N 2.92Å; E1047-Q1051 WeakPolarHBondContact O-CB 3.44Å; E1047-Q1051 PolarHBondContact O-N 3.44Å |
| 1048 | L | 38.4 | Very low | 37.2 | Very low | 91 Ų | 91 | 94.6 Ų | 94.6 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 174.1 | -173.8 | 72.8 | 0 | 0 | 0 | 111.6 | K1044 Q1051 I1052 | K1044-L1048 VanDerWaalsContact O-CB 3.24Å; K1044-L1048 WeakPolarHBondContact O-CB 3.43Å; K1044-L1048 PolarHBondContact O-N 3.13Å; L1048-Q1051 PolarHBondContact O-N 2.99Å; L1048-I1052 HydrophobicContact CG-CD1 4.02Å; L1048-I1052 WeakPolarHBondContact O-CB 3.49Å; L1048-I1052 VanDerWaalsContact O-CG1 3.29Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.43Å; L1048-I1052 PolarHBondContact O-N 3.5Å |
| 1049 | S | 38.1 | Very low | 37.7 | Very low | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | S1045 I1046 E1047 Q1051 I1052 I1053 | S1045-S1049 WeakPolarHBondContact O-CB 3.43Å; S1045-S1049 PolarHBondContact O-N 3.4Å; I1046-S1049 PolarHBondContact O-N 3.17Å; E1047-S1049 PolarHBondContact O-N 3.41Å; S1049-Q1051 VanDerWaalsContact C-N 3.32Å; S1049-Q1051 PolarHBondContact O-N 2.94Å; S1049-I1052 PolarHBondContact O-N 3.36Å; S1049-I1053 WeakPolarHBondContact O-CB 3.5Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.38Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.44Å; S1049-I1053 PolarHBondContact O-N 3.27Å |
| 1050 | N | 41.4 | Very low | 38.1 | Very low | 90 Ų | 90 | 90.4 Ų | 90.4 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 175.5 | -78.1 | -44.8 | 0 | 0 | 0 | 112.4 | I1046 E1047 I1053 S1054 | I1046-N1050 WeakPolarHBondContact CG2-ND2 3.33Å; I1046-N1050 WeakPolarHBondContact O-CB 3.19Å; I1046-N1050 VanDerWaalsContact O-CG 3.29Å; I1046-N1050 PolarHBondContact O-N 2.94Å; I1046-N1050 PolarHBondContact O-ND2 2.88Å; E1047-N1050 PolarHBondContact O-N 2.92Å; N1050-I1053 PolarHBondContact O-N 3.42Å; N1050-S1054 VanDerWaalsContact O-CB 3.31Å; N1050-S1054 WeakPolarHBondContact O-CB 3.34Å; N1050-S1054 PolarHBondContact O-N 2.93Å |
| 1051 | Q | 42.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 87.4 Ų | 87.4 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 176 | -163.1 | 172.9 | 19.3 | 0 | 0 | 111.5 | E1047 L1048 S1049 S1054 Q1055 | E1047-Q1051 WeakPolarHBondContact O-CB 3.44Å; E1047-Q1051 PolarHBondContact O-N 3.44Å; L1048-Q1051 PolarHBondContact O-N 2.99Å; S1049-Q1051 VanDerWaalsContact C-N 3.32Å; S1049-Q1051 PolarHBondContact O-N 2.94Å; Q1051-S1054 PolarHBondContact O-N 2.79Å; Q1051-Q1055 WeakPolarHBondContact O-CB 3.31Å; Q1051-Q1055 VanDerWaalsContact O-CG 3.24Å; Q1051-Q1055 WeakPolarHBondContact O-CG 3.34Å; Q1051-Q1055 PolarHBondContact O-N 3.48Å |
| 1052 | I | 38.9 | Very low | 39.2 | Very low | 66 Ų | 66 | 81.6 Ų | 81.6 | 34% | 0.338 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.9 | -69.6 | 166.1 | 0 | 0 | 0 | 111 | L1048 S1049 S1054 Q1055 L1056 L1182 | L1048-I1052 HydrophobicContact CG-CD1 4.02Å; L1048-I1052 WeakPolarHBondContact O-CB 3.49Å; L1048-I1052 VanDerWaalsContact O-CG1 3.29Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.43Å; L1048-I1052 PolarHBondContact O-N 3.5Å; S1049-I1052 PolarHBondContact O-N 3.36Å; I1052-S1054 VanDerWaalsContact C-N 3.31Å; I1052-S1054 PolarHBondContact O-N 3.25Å; I1052-Q1055 PolarHBondContact O-N 3.33Å; I1052-L1056 HydrophobicContact CG2-CD1 3.89Å; I1052-L1056 HydrophobicContact CG2-CG 4.4Å; I1052-L1056 WeakPolarHBondContact O-CB 3.37Å; I1052-L1056 VanDerWaalsContact O-CG 3.28Å; I1052-L1056 WeakPolarHBondContact O-CG 3.25Å; I1052-L1056 PolarHBondContact O-N 2.62Å; I1052-L1182 HydrophobicContact CD1-CD2 3.78Å |
| 1053 | I | 41.6 | Very low | 39.7 | Very low | 62 Ų | 62 | 77.9 Ų | 77.9 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 176 | -71.8 | 164.6 | 0 | 0 | 0 | 110.9 | S1049 N1050 R1057 | S1049-I1053 WeakPolarHBondContact O-CB 3.5Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.38Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.44Å; S1049-I1053 PolarHBondContact O-N 3.27Å; N1050-I1053 PolarHBondContact O-N 3.42Å; I1053-R1057 WeakPolarHBondContact O-CG 3.3Å; I1053-R1057 PolarHBondContact O-N 3.06Å |
| 1054 | S | 43.3 | Very low | 40 | Very low | 54 Ų | 54 | 75.9 Ų | 75.9 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -49.9 | 174.2 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | N1050 Q1051 I1052 L1056 R1057 T1058 | N1050-S1054 VanDerWaalsContact O-CB 3.31Å; N1050-S1054 WeakPolarHBondContact O-CB 3.34Å; N1050-S1054 PolarHBondContact O-N 2.93Å; Q1051-S1054 PolarHBondContact O-N 2.79Å; I1052-S1054 VanDerWaalsContact C-N 3.31Å; I1052-S1054 PolarHBondContact O-N 3.25Å; S1054-L1056 VanDerWaalsContact C-N 3.33Å; S1054-L1056 PolarHBondContact O-N 3.26Å; S1054-R1057 WeakPolarHBondContact O-CB 3.31Å; S1054-R1057 PolarHBondContact O-N 2.76Å; S1054-T1058 PolarHBondContact O-N 3.18Å; S1054-T1058 PolarHBondContact O-OG1 3.23Å |
| 1055 | Q | 39.1 | Very low | 40.5 | Very low | 87 Ų | 87 | 73.2 Ų | 73.2 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 174.6 | -72.6 | -87.3 | -48.1 | 0 | 0 | 112 | Q1051 I1052 R1057 T1058 V1059 | Q1051-Q1055 WeakPolarHBondContact O-CB 3.31Å; Q1051-Q1055 VanDerWaalsContact O-CG 3.24Å; Q1051-Q1055 WeakPolarHBondContact O-CG 3.34Å; Q1051-Q1055 PolarHBondContact O-N 3.48Å; I1052-Q1055 PolarHBondContact O-N 3.33Å; Q1055-R1057 VanDerWaalsContact C-N 3.34Å; Q1055-R1057 PolarHBondContact O-N 2.81Å; Q1055-T1058 WeakPolarHBondContact O-CB 3.46Å; Q1055-T1058 PolarHBondContact O-N 3.02Å; Q1055-V1059 WeakPolarHBondContact O-CG2 3.29Å; Q1055-V1059 PolarHBondContact O-N 3.06Å |
| 1056 | L | 37.8 | Very low | 40.8 | Very low | 53 Ų | 53 | 74.6 Ų | 74.6 | 28% | 0.277 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 175.5 | -73.8 | 168.8 | 0 | 0 | 0 | 112.5 | I1052 S1054 Q1060 | I1052-L1056 HydrophobicContact CG2-CD1 3.89Å; I1052-L1056 HydrophobicContact CG2-CG 4.4Å; I1052-L1056 WeakPolarHBondContact O-CB 3.37Å; I1052-L1056 VanDerWaalsContact O-CG 3.28Å; I1052-L1056 WeakPolarHBondContact O-CG 3.25Å; I1052-L1056 PolarHBondContact O-N 2.62Å; S1054-L1056 VanDerWaalsContact C-N 3.33Å; S1054-L1056 PolarHBondContact O-N 3.26Å; L1056-Q1060 VanDerWaalsContact O-CB 3.26Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.41Å; L1056-Q1060 PolarHBondContact O-N 2.67Å |
| 1057 | R | 42.4 | Very low | 40.9 | Very low | 167 Ų | 167 | 72.9 Ų | 72.9 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.9 | -38 | 172.4 | -72.9 | -179.6 | -149 | 167.3 | 7.5 | 112.5 | I1053 S1054 Q1055 Q1060 G1061 | I1053-R1057 WeakPolarHBondContact O-CG 3.3Å; I1053-R1057 PolarHBondContact O-N 3.06Å; S1054-R1057 WeakPolarHBondContact O-CB 3.31Å; S1054-R1057 PolarHBondContact O-N 2.76Å; Q1055-R1057 VanDerWaalsContact C-N 3.34Å; Q1055-R1057 PolarHBondContact O-N 2.81Å; R1057-Q1060 PolarHBondContact O-N 3.31Å; R1057-G1061 PolarHBondContact O-N 3.48Å |
| 1058 | T | 44.4 | Very low | 41.1 | Very low | 18 Ų | 18 | 69.7 Ų | 69.7 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 173.8 | -51 | 0 | 0 | 0 | 0 | 110.2 | S271 S1054 Q1055 Q1060 G1061 D1062 | S271-T1058 WeakPolarHBondContact CB-OG1 3.38Å; S1054-T1058 PolarHBondContact O-N 3.18Å; S1054-T1058 PolarHBondContact O-OG1 3.23Å; Q1055-T1058 WeakPolarHBondContact O-CB 3.46Å; Q1055-T1058 PolarHBondContact O-N 3.02Å; T1058-Q1060 VanDerWaalsContact C-N 3.33Å; T1058-Q1060 PolarHBondContact O-N 2.91Å; T1058-G1061 WeakPolarHBondContact O-CA 3.43Å; T1058-G1061 PolarHBondContact O-N 2.87Å; T1058-D1062 PolarHBondContact O-N 2.97Å |
| 1059 | V | 39.1 | Very low | 41.4 | Very low | 80 Ų | 80 | 68.4 Ų | 68.4 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | Q1055 G1061 D1062 F1063 | Q1055-V1059 WeakPolarHBondContact O-CG2 3.29Å; Q1055-V1059 PolarHBondContact O-N 3.06Å; V1059-G1061 VanDerWaalsContact C-N 3.34Å; V1059-D1062 PolarHBondContact O-N 3.18Å; V1059-F1063 WeakPolarHBondContact O-CB 3.47Å; V1059-F1063 PolarHBondContact O-N 3.01Å |
| 1060 | Q | 37.6 | Very low | 41.6 | Very low | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 174.1 | -176.5 | -178.8 | -1.6 | 0 | 0 | 111.9 | L1056 R1057 T1058 S1064 | L1056-Q1060 VanDerWaalsContact O-CB 3.26Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.41Å; L1056-Q1060 PolarHBondContact O-N 2.67Å; R1057-Q1060 PolarHBondContact O-N 3.31Å; T1058-Q1060 VanDerWaalsContact C-N 3.33Å; T1058-Q1060 PolarHBondContact O-N 2.91Å; Q1060-S1064 WeakPolarHBondContact O-CB 3.49Å; Q1060-S1064 PolarHBondContact O-N 3.3Å; Q1060-S1064 PolarHBondContact O-OG 3.19Å |
| 1061 | G | 43 | Very low | 41.6 | Very low | 26 Ų | 26 | 66.7 Ų | 66.7 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -52.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1057 T1058 V1059 F1063 S1064 R1065 | R1057-G1061 PolarHBondContact O-N 3.48Å; T1058-G1061 WeakPolarHBondContact O-CA 3.43Å; T1058-G1061 PolarHBondContact O-N 2.87Å; V1059-G1061 VanDerWaalsContact C-N 3.34Å; G1061-F1063 VanDerWaalsContact C-N 3.28Å; G1061-F1063 PolarHBondContact O-N 3.14Å; G1061-S1064 WeakPolarHBondContact O-CB 3.38Å; G1061-S1064 PolarHBondContact O-N 3.45Å; G1061-R1065 VanDerWaalsContact O-CG 3.3Å; G1061-R1065 WeakPolarHBondContact O-CG 3.44Å; G1061-R1065 PolarHBondContact O-N 2.94Å |
| 1062 | D | 41.4 | Very low | 41.9 | Very low | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.8 | -24.4 | -176.2 | -63 | -26.1 | 0 | 0 | 0 | 114 | T1058 V1059 R1065 R1066 | T1058-D1062 PolarHBondContact O-N 2.97Å; V1059-D1062 PolarHBondContact O-N 3.18Å; D1062-R1065 IonicContact OD1-CZ 2.67Å; D1062-R1065 IonicContact OD1-NH1 2.66Å; D1062-R1065 PolarHBondContact OD1-NH1 2.79Å; D1062-R1066 WeakPolarHBondContact O-CB 3.41Å; D1062-R1066 WeakPolarHBondContact O-CG 3.32Å; D1062-R1066 PolarHBondContact O-N 2.78Å; D1062-R1066 PolarHBondContact O-NE 2.83Å |
| 1063 | F | 39.1 | Very low | 42.1 | Very low | 47 Ų | 47 | 67.7 Ų | 67.7 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.9 | -49.1 | 166.2 | -174.1 | -99.7 | 0 | 0 | 0 | 111.3 | V1059 G1061 R1065 R1066 Y1067 F1194 L1198 | V1059-F1063 WeakPolarHBondContact O-CB 3.47Å; V1059-F1063 PolarHBondContact O-N 3.01Å; G1061-F1063 VanDerWaalsContact C-N 3.28Å; G1061-F1063 PolarHBondContact O-N 3.14Å; F1063-R1065 VanDerWaalsContact C-N 3.3Å; F1063-R1065 PolarHBondContact O-N 3.24Å; F1063-R1066 PolarHBondContact O-N 3.16Å; F1063-Y1067 WeakPolarHBondContact O-CB 3.46Å; F1063-Y1067 PolarHBondContact O-N 3Å; F1063-F1194 HydrophobicContact CB-CE2 4.16Å; F1063-F1194 AromaticContact CD1-CE2 3.8Å; F1063-F1194 HydrophobicContact CD1-CE2 3.8Å; F1063-F1194 AromaticContact CD1-CZ 3.87Å; F1063-F1194 HydrophobicContact CD1-CZ 3.87Å; F1063-F1194 HydrophobicContact CD2-CE2 4.14Å; F1063-F1194 AromaticContact CD2-CZ 3.74Å; F1063-F1194 HydrophobicContact CD2-CZ 3.74Å; F1063-F1194 HydrophobicContact CE1-CE2 4.25Å; F1063-F1194 AromaticContact CE1-CZ 3.91Å; F1063-F1194 HydrophobicContact CE1-CZ 3.91Å; F1063-F1194 AromaticContact CE2-CZ 3.79Å; F1063-F1194 HydrophobicContact CE2-CZ 3.79Å; F1063-F1194 AromaticContact CG-CE2 3.73Å; F1063-F1194 HydrophobicContact CG-CE2 3.73Å; F1063-F1194 AromaticContact CG-CZ 3.79Å; F1063-F1194 HydrophobicContact CG-CZ 3.79Å; F1063-F1194 AromaticContact CZ-CZ 3.88Å; F1063-F1194 HydrophobicContact CZ-CZ 3.88Å; F1063-L1198 HydrophobicContact CE1-CD1 4.25Å; F1063-L1198 HydrophobicContact CZ-CD1 3.91Å |
| 1064 | S | 42.9 | Very low | 42.2 | Very low | 65 Ų | 65 | 68 Ų | 68 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | Q1060 G1061 Y1067 S1068 | Q1060-S1064 WeakPolarHBondContact O-CB 3.49Å; Q1060-S1064 PolarHBondContact O-N 3.3Å; Q1060-S1064 PolarHBondContact O-OG 3.19Å; G1061-S1064 WeakPolarHBondContact O-CB 3.38Å; G1061-S1064 PolarHBondContact O-N 3.45Å; S1064-Y1067 WeakPolarHBondContact O-CB 3.39Å; S1064-S1068 PolarHBondContact O-N 2.77Å |
| 1065 | R | 45.8 | Very low | 42.3 | Very low | 41 Ų | 41 | 68.7 Ų | 68.7 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 177.5 | -64 | 179.6 | -174.3 | 151.2 | -32.2 | 113 | D292 S319 G322 G1061 D1062 F1063 Y1067 S1068 K1069 | D292-R1065 VanDerWaalsContact O-CZ 3.22Å; D292-R1065 PolarHBondContact O-NH1 3.23Å; D292-R1065 PolarHBondContact O-NH2 2.89Å; S319-R1065 PolarHBondContact OG-NE 2.85Å; S319-R1065 PolarHBondContact OG-NH2 2.86Å; G322-R1065 WeakPolarHBondContact O-CB 3.41Å; G1061-R1065 VanDerWaalsContact O-CG 3.3Å; G1061-R1065 WeakPolarHBondContact O-CG 3.44Å; G1061-R1065 PolarHBondContact O-N 2.94Å; D1062-R1065 IonicContact OD1-CZ 2.67Å; D1062-R1065 IonicContact OD1-NH1 2.66Å; D1062-R1065 PolarHBondContact OD1-NH1 2.79Å; F1063-R1065 VanDerWaalsContact C-N 3.3Å; F1063-R1065 PolarHBondContact O-N 3.24Å; R1065-Y1067 VanDerWaalsContact C-N 3.28Å; R1065-Y1067 PolarHBondContact O-N 3.32Å; R1065-S1068 WeakPolarHBondContact O-CB 3.33Å; R1065-S1068 PolarHBondContact O-N 2.59Å; R1065-S1068 VanDerWaalsContact O-N 3.12Å; R1065-K1069 PolarHBondContact O-N 3.11Å |
| 1066 | R | 42.5 | Very low | 42.7 | Very low | 104 Ų | 104 | 68.4 Ų | 68.4 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 171.1 | -82.4 | 179.8 | -93.1 | -158.9 | -12.8 | 111.5 | D1062 F1063 K1069 I1070 | D1062-R1066 WeakPolarHBondContact O-CB 3.41Å; D1062-R1066 WeakPolarHBondContact O-CG 3.32Å; D1062-R1066 PolarHBondContact O-N 2.78Å; D1062-R1066 PolarHBondContact O-NE 2.83Å; F1063-R1066 PolarHBondContact O-N 3.16Å; R1066-K1069 PolarHBondContact O-N 2.82Å; R1066-I1070 WeakPolarHBondContact O-CG1 3.48Å; R1066-I1070 PolarHBondContact O-N 3.2Å; R1066-I1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | Y | 39 | Very low | 42.9 | Very low | 63 Ų | 63 | 69.4 Ų | 69.4 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 171.7 | -172.7 | -89.5 | 0 | 0 | 0 | 112.2 | F1063 S1064 R1065 K1069 I1070 S1071 S1201 | F1063-Y1067 WeakPolarHBondContact O-CB 3.46Å; F1063-Y1067 PolarHBondContact O-N 3Å; S1064-Y1067 WeakPolarHBondContact O-CB 3.39Å; R1065-Y1067 VanDerWaalsContact C-N 3.28Å; R1065-Y1067 PolarHBondContact O-N 3.32Å; Y1067-K1069 PolarHBondContact O-N 2.93Å; Y1067-I1070 PolarHBondContact O-N 2.89Å; Y1067-S1071 PolarHBondContact O-N 3.43Å; Y1067-S1201 PolarHBondContact OH-O 2.89Å |
| 1068 | S | 45.3 | Very low | 42.9 | Very low | 57 Ų | 57 | 64.1 Ų | 64.1 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 174.6 | -157.3 | 0 | 0 | 0 | 0 | 112.4 | S1064 R1065 I1070 S1071 E1072 | S1064-S1068 PolarHBondContact O-N 2.77Å; R1065-S1068 WeakPolarHBondContact O-CB 3.33Å; R1065-S1068 PolarHBondContact O-N 2.59Å; R1065-S1068 VanDerWaalsContact O-N 3.12Å; S1068-I1070 PolarHBondContact O-N 3.27Å; S1068-S1071 WeakPolarHBondContact O-CB 3.39Å; S1068-S1071 PolarHBondContact O-N 2.88Å; S1068-S1071 VanDerWaalsContact O-N 3.12Å; S1068-E1072 WeakPolarHBondContact O-CG 3.38Å; S1068-E1072 PolarHBondContact O-N 3.4Å |
| 1069 | K | 45.3 | Very low | 43 | Very low | 64 Ų | 64 | 65.7 Ų | 65.7 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -22.8 | 178.4 | -152.1 | 166.7 | -173.1 | 173.7 | 0 | 112.7 | H321 R1065 R1066 Y1067 N1073 | H321-K1069 PolarHBondContact O-NZ 3.32Å; R1065-K1069 PolarHBondContact O-N 3.11Å; R1066-K1069 PolarHBondContact O-N 2.82Å; Y1067-K1069 PolarHBondContact O-N 2.93Å; K1069-N1073 PolarHBondContact O-N 2.64Å; K1069-N1073 PolarHBondContact O-ND2 3.43Å |
| 1070 | I | 41.6 | Very low | 43 | Very low | 72 Ų | 72 | 65.8 Ų | 65.8 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77 | -44 | 169.4 | -68.7 | 166.5 | 0 | 0 | 0 | 110.8 | R1066 Y1067 S1068 N1073 M1074 | R1066-I1070 WeakPolarHBondContact O-CG1 3.48Å; R1066-I1070 PolarHBondContact O-N 3.2Å; R1066-I1070 VanDerWaalsContact O-N 3.12Å; Y1067-I1070 PolarHBondContact O-N 2.89Å; S1068-I1070 PolarHBondContact O-N 3.27Å; I1070-N1073 PolarHBondContact O-N 2.88Å; I1070-M1074 PolarHBondContact O-N 3.27Å |
| 1071 | S | 42.4 | Very low | 43.2 | Very low | 40 Ų | 40 | 66.6 Ų | 66.6 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | Y1067 S1068 N1073 M1074 N1075 | Y1067-S1071 PolarHBondContact O-N 3.43Å; S1068-S1071 WeakPolarHBondContact O-CB 3.39Å; S1068-S1071 PolarHBondContact O-N 2.88Å; S1068-S1071 VanDerWaalsContact O-N 3.12Å; S1071-N1073 VanDerWaalsContact C-N 3.31Å; S1071-N1073 PolarHBondContact O-N 2.76Å; S1071-M1074 PolarHBondContact O-N 3.28Å; S1071-N1075 PolarHBondContact O-N 2.88Å; S1071-N1075 PolarHBondContact O-ND2 3.5Å |
| 1072 | E | 47.4 | Very low | 43.2 | Very low | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -42 | 173 | -76.5 | 166.9 | -159.1 | 0 | 0 | 112.1 | S1068 N1075 K1076 | S1068-E1072 WeakPolarHBondContact O-CG 3.38Å; S1068-E1072 PolarHBondContact O-N 3.4Å; E1072-N1075 PolarHBondContact O-N 3.24Å; E1072-K1076 VanDerWaalsContact O-CB 3.31Å; E1072-K1076 WeakPolarHBondContact O-CB 3.32Å; E1072-K1076 PolarHBondContact O-N 3.25Å |
| 1073 | N | 44.1 | Very low | 43.2 | Very low | 91 Ų | 91 | 76.9 Ų | 76.9 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 177.1 | -82.5 | -50.9 | 0 | 0 | 0 | 112.7 | K1069 I1070 S1071 K1076 I1077 | K1069-N1073 PolarHBondContact O-N 2.64Å; K1069-N1073 PolarHBondContact O-ND2 3.43Å; I1070-N1073 PolarHBondContact O-N 2.88Å; S1071-N1073 VanDerWaalsContact C-N 3.31Å; S1071-N1073 PolarHBondContact O-N 2.76Å; N1073-K1076 PolarHBondContact O-N 3.41Å; N1073-I1077 VanDerWaalsContact O-CG1 3.31Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.45Å; N1073-I1077 PolarHBondContact O-N 3Å |
| 1074 | M | 41.8 | Very low | 43.2 | Very low | 69 Ų | 69 | 78.5 Ų | 78.5 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 171.5 | -74.1 | -176.8 | 166.3 | 0 | 0 | 111.6 | I1070 S1071 K1076 I1077 L1078 L1205 | I1070-M1074 PolarHBondContact O-N 3.27Å; S1071-M1074 PolarHBondContact O-N 3.28Å; M1074-K1076 VanDerWaalsContact C-N 3.32Å; M1074-K1076 PolarHBondContact O-N 3.24Å; M1074-I1077 PolarHBondContact O-N 2.87Å; M1074-L1078 WeakPolarHBondContact O-CB 3.43Å; M1074-L1078 PolarHBondContact O-N 2.82Å; M1074-L1205 HydrophobicContact SD-CD1 3.95Å |
| 1075 | N | 46.3 | Very low | 43 | Very low | 68 Ų | 68 | 82.4 Ų | 82.4 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 176.3 | -68.2 | -25.5 | 0 | 0 | 0 | 112.4 | S1071 E1072 L1078 S1079 | S1071-N1075 PolarHBondContact O-N 2.88Å; S1071-N1075 PolarHBondContact O-ND2 3.5Å; E1072-N1075 PolarHBondContact O-N 3.24Å; N1075-L1078 WeakPolarHBondContact O-CB 3.38Å; N1075-L1078 PolarHBondContact O-N 3.26Å; N1075-S1079 PolarHBondContact O-N 3.47Å |
| 1076 | K | 47.8 | Very low | 42.5 | Very low | 81 Ų | 81 | 88.1 Ų | 88.1 | 35% | 0.352 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.8 | -37 | 173.8 | -87.3 | -158.9 | 179.3 | -152 | 0 | 112.7 | M1 E542 E1072 N1073 M1074 L1078 S1079 | M1-K1076 VanDerWaalsContact CE-C 3.5Å; M1-K1076 HydrophobicContact CE-CB 3.5Å; M1-K1076 VanDerWaalsContact CE-CB 3.5Å; M1-K1076 HydrophobicContact CE-CD 4.14Å; M1-K1076 HydrophobicContact CE-CG 4Å; M1-K1076 WeakPolarHBondContact CE-O 3.47Å; E542-K1076 IonicContact OE1-NZ 2.67Å; E542-K1076 PolarHBondContact OE1-NZ 3.47Å; E542-K1076 IonicContact OE2-NZ 2.62Å; E542-K1076 PolarHBondContact OE2-NZ 2.92Å; E1072-K1076 VanDerWaalsContact O-CB 3.31Å; E1072-K1076 WeakPolarHBondContact O-CB 3.32Å; E1072-K1076 PolarHBondContact O-N 3.25Å; N1073-K1076 PolarHBondContact O-N 3.41Å; M1074-K1076 VanDerWaalsContact C-N 3.32Å; M1074-K1076 PolarHBondContact O-N 3.24Å; K1076-L1078 VanDerWaalsContact C-N 3.33Å; K1076-S1079 PolarHBondContact O-OG 3.42Å |
| 1077 | I | 42.3 | Very low | 42.3 | Very low | 74 Ų | 74 | 88.4 Ų | 88.4 | 38% | 0.379 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 170 | -70.7 | 164.4 | 0 | 0 | 0 | 110 | N1073 M1074 S1079 N1080 L1096 | N1073-I1077 VanDerWaalsContact O-CG1 3.31Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.45Å; N1073-I1077 PolarHBondContact O-N 3Å; M1074-I1077 PolarHBondContact O-N 2.87Å; I1077-S1079 PolarHBondContact O-N 3.18Å; I1077-N1080 PolarHBondContact O-N 3.32Å; I1077-L1096 HydrophobicContact CD1-CD1 4.47Å; I1077-L1096 HydrophobicContact CG2-CD1 4.37Å |
| 1078 | L | 42.6 | Very low | 42.4 | Very low | 55 Ų | 55 | 90.6 Ų | 90.6 | 29% | 0.288 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 178.2 | 166.7 | 63.1 | 0 | 0 | 0 | 113.4 | M1074 N1075 K1076 N1080 V1081 L1212 | M1074-L1078 WeakPolarHBondContact O-CB 3.43Å; M1074-L1078 PolarHBondContact O-N 2.82Å; N1075-L1078 WeakPolarHBondContact O-CB 3.38Å; N1075-L1078 PolarHBondContact O-N 3.26Å; K1076-L1078 VanDerWaalsContact C-N 3.33Å; L1078-N1080 PolarHBondContact O-N 2.87Å; L1078-N1080 VanDerWaalsContact O-N 3.11Å; L1078-V1081 WeakPolarHBondContact O-CB 3.39Å; L1078-V1081 PolarHBondContact O-N 3.23Å; L1078-L1212 HydrophobicContact CD1-CD1 3.68Å; L1078-L1212 HydrophobicContact CD1-CD2 4Å; L1078-L1212 HydrophobicContact CD1-CG 4.14Å; L1078-L1212 HydrophobicContact CD2-CD1 3.46Å; L1078-L1212 VanDerWaalsContact CD2-CD1 3.46Å; L1078-L1212 HydrophobicContact CD2-CD2 3.76Å; L1078-L1212 HydrophobicContact CD2-CG 4.21Å; L1078-L1212 HydrophobicContact CG-CD1 4.18Å; L1078-L1212 HydrophobicContact CG-CD2 4.34Å |
| 1079 | S | 45.5 | Very low | 42.2 | Very low | 52 Ų | 52 | 95.5 Ų | 95.5 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -28.9 | -179.4 | 57 | 0 | 0 | 0 | 0 | 112.7 | N1075 K1076 I1077 V1081 | N1075-S1079 PolarHBondContact O-N 3.47Å; K1076-S1079 PolarHBondContact O-OG 3.42Å; I1077-S1079 PolarHBondContact O-N 3.18Å; S1079-V1081 VanDerWaalsContact C-N 3.29Å; S1079-V1081 PolarHBondContact O-N 2.88Å |
| 1080 | N | 40.2 | Very low | 41.9 | Very low | 82 Ų | 82 | 96.3 Ų | 96.3 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4 | 179.5 | -61.5 | 0.1 | 0 | 0 | 0 | 113.3 | M1 I1077 L1078 | M1-N1080 VanDerWaalsContact CE-ND2 3.33Å; M1-N1080 WeakPolarHBondContact CE-ND2 3.4Å; I1077-N1080 PolarHBondContact O-N 3.32Å; L1078-N1080 PolarHBondContact O-N 2.87Å; L1078-N1080 VanDerWaalsContact O-N 3.11Å |
| 1081 | V | 41.3 | Very low | 41.9 | Very low | 106 Ų | 106 | 98.9 Ų | 98.9 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.9 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | L1078 S1079 | L1078-V1081 WeakPolarHBondContact O-CB 3.39Å; L1078-V1081 PolarHBondContact O-N 3.23Å; S1079-V1081 VanDerWaalsContact C-N 3.29Å; S1079-V1081 PolarHBondContact O-N 2.88Å |
| 1082 | Q | 41.7 | Very low | 41.6 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -86.6 | -12.9 | -176.8 | -58.5 | -165.8 | -78.7 | 0 | 0 | 114.6 | ||
| 1083 | D | 41.9 | Very low | 41.1 | Very low | 136 Ų | 136 | 102.2 Ų | 102.2 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | trans | -78.8 | 127.7 | 178.3 | -93.8 | -51.6 | 0 | 0 | 0 | 112.3 | N1085 | D1083-N1085 VanDerWaalsContact C-N 3.34Å; D1083-N1085 PolarHBondContact O-N 3.3Å | ||
| 1084 | P | 39.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 104.7 Ų | 104.7 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | trans | -77.9 | -4 | -167.9 | -19 | 34 | 0 | 0 | 0 | 117.1 | ||||
| 1085 | N | 38.9 | Very low | 41.1 | Very low | 147 Ų | 147 | 105.5 Ų | 105.5 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | trans | -105.2 | 93.2 | -159.2 | -74.2 | -11.7 | 0 | 0 | 0 | 114.8 | D1083 | D1083-N1085 VanDerWaalsContact C-N 3.34Å; D1083-N1085 PolarHBondContact O-N 3.3Å | ||
| 1086 | H | 36.1 | Very low | 40.8 | Very low | 160 Ų | 160 | 106 Ų | 106 | 74% | 0.741 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 47.8 | 150.7 | 147.2 | -85.9 | -101.3 | 0 | 0 | 0 | 123.4 | I1088 | H1086-I1088 PolarHBondContact O-N 2.85Š|
| 1087 | S | 37.1 | Very low | 40.4 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 77.6 | -43.1 | 168.2 | 77.6 | 0 | 0 | 0 | 0 | 119.7 | K1089 | S1087-K1089 VanDerWaalsContact C-N 3.3Å; S1087-K1089 PolarHBondContact O-N 3.27Å |
| 1088 | I | 40.9 | Very low | 40.5 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 56% | 0.559 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 45.1 | -165.5 | -32.1 | -179.3 | 0 | 0 | 0 | 114.6 | H1086 M1092 | H1086-I1088 PolarHBondContact O-N 2.85Å; I1088-M1092 HydrophobicContact CB-CE 4.12Å; I1088-M1092 HydrophobicContact CG2-CE 3.94Å; I1088-M1092 HydrophobicContact CG2-CG 4.1Å; I1088-M1092 HydrophobicContact CG2-SD 4.49Å; I1088-M1092 WeakPolarHBondContact O-CE 3.4Å |
| 1089 | K | 41.7 | Very low | 40.5 | Very low | 160 Ų | 160 | 108.9 Ų | 108.9 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -37.6 | -175.3 | -87.4 | -169.1 | 172.6 | -175.4 | 0 | 117.1 | S1087 | S1087-K1089 VanDerWaalsContact C-N 3.3Å; S1087-K1089 PolarHBondContact O-N 3.27Å |
| 1090 | S | 38.7 | Very low | 40.4 | Very low | 82 Ų | 82 | 110.2 Ų | 110.2 | 57% | 0.573 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.9 | -57.3 | -180 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | M1092 L1093 H1094 | S1090-M1092 VanDerWaalsContact C-N 3.3Å; S1090-M1092 PolarHBondContact O-N 3.35Å; S1090-L1093 PolarHBondContact O-N 2.74Å; S1090-L1093 VanDerWaalsContact O-N 3.17Å; S1090-H1094 PolarHBondContact O-N 2.89Å |
| 1091 | N | 42.1 | Very low | 40.5 | Very low | 126 Ų | 126 | 110.7 Ų | 110.7 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.4 | -28.3 | -170 | -62.8 | 7.5 | 0 | 0 | 0 | 112.5 | N1095 | N1091-N1095 WeakPolarHBondContact O-CB 3.21Å; N1091-N1095 PolarHBondContact O-N 2.83Å |
| 1092 | M | 37 | Very low | 40.6 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.3 | -36 | 174 | -79.2 | -154.7 | -71.3 | 0 | 0 | 113.2 | I1088 S1090 N1095 L1096 | I1088-M1092 HydrophobicContact CB-CE 4.12Å; I1088-M1092 HydrophobicContact CG2-CE 3.94Å; I1088-M1092 HydrophobicContact CG2-CG 4.1Å; I1088-M1092 HydrophobicContact CG2-SD 4.49Å; I1088-M1092 WeakPolarHBondContact O-CE 3.4Å; S1090-M1092 VanDerWaalsContact C-N 3.3Å; S1090-M1092 PolarHBondContact O-N 3.35Å; M1092-N1095 PolarHBondContact O-N 3.25Å; M1092-L1096 WeakPolarHBondContact O-CB 3.46Å; M1092-L1096 PolarHBondContact O-N 3.3Å |
| 1093 | L | 37 | Very low | 40.5 | Very low | 108 Ų | 108 | 105.1 Ų | 105.1 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -46.9 | 176.2 | -80.4 | 170.5 | 0 | 0 | 0 | 111.4 | S1090 N1095 L1096 E1097 | S1090-L1093 PolarHBondContact O-N 2.74Å; S1090-L1093 VanDerWaalsContact O-N 3.17Å; L1093-N1095 PolarHBondContact O-N 3.25Å; L1093-L1096 WeakPolarHBondContact O-CB 3.23Å; L1093-L1096 PolarHBondContact O-N 3.36Å; L1093-L1096 VanDerWaalsContact O-N 3.08Å; L1093-E1097 WeakPolarHBondContact O-CB 3.5Å; L1093-E1097 PolarHBondContact O-N 3.2Å |
| 1094 | H | 43.7 | Very low | 40.5 | Very low | 144 Ų | 144 | 102.9 Ų | 102.9 | 67% | 0.667 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -29.8 | 177.7 | -163.7 | -39.8 | 0 | 0 | 0 | 112.6 | S1090 S1098 | S1090-H1094 PolarHBondContact O-N 2.89Å; H1094-S1098 PolarHBondContact O-N 3.06Å; H1094-S1098 PolarHBondContact O-OG 2.83Å |
| 1095 | N | 41.5 | Very low | 40.7 | Very low | 86 Ų | 86 | 102.8 Ų | 102.8 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.3 | -35.4 | 172.8 | -159.9 | -84.1 | 0 | 0 | 0 | 112.3 | N1091 M1092 L1093 S1098 R1099 | N1091-N1095 WeakPolarHBondContact O-CB 3.21Å; N1091-N1095 PolarHBondContact O-N 2.83Å; M1092-N1095 PolarHBondContact O-N 3.25Å; L1093-N1095 PolarHBondContact O-N 3.25Å; N1095-S1098 PolarHBondContact O-OG 2.94Å; N1095-R1099 VanDerWaalsContact O-CB 3.3Å; N1095-R1099 WeakPolarHBondContact O-CB 3.33Å; N1095-R1099 WeakPolarHBondContact O-CD 3.36Å; N1095-R1099 WeakPolarHBondContact O-CG 3.3Å; N1095-R1099 PolarHBondContact O-N 3.04Å; N1095-R1099 WeakPolarHBondContact OD1-CD 3.39Å |
| 1096 | L | 38.9 | Very low | 40.9 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.3 | -158.9 | 84.7 | 0 | 0 | 0 | 110.9 | I1077 M1092 L1093 R1099 I1100 | I1077-L1096 HydrophobicContact CD1-CD1 4.47Å; I1077-L1096 HydrophobicContact CG2-CD1 4.37Å; M1092-L1096 WeakPolarHBondContact O-CB 3.46Å; M1092-L1096 PolarHBondContact O-N 3.3Å; L1093-L1096 WeakPolarHBondContact O-CB 3.23Å; L1093-L1096 PolarHBondContact O-N 3.36Å; L1093-L1096 VanDerWaalsContact O-N 3.08Å; L1096-R1099 PolarHBondContact O-N 2.86Å; L1096-I1100 HydrophobicContact CD2-CD1 4.04Å; L1096-I1100 HydrophobicContact CG-CD1 3.99Å; L1096-I1100 VanDerWaalsContact O-CG1 3.31Å; L1096-I1100 WeakPolarHBondContact O-CG1 3.37Å; L1096-I1100 PolarHBondContact O-N 2.82Å |
| 1097 | E | 41 | Very low | 41 | Very low | 67 Ų | 67 | 95.5 Ų | 95.5 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | -177 | -169.7 | 153.4 | -138.9 | 0 | 0 | 112 | Q975 L1093 R1099 I1100 N1101 | Q975-E1097 PolarHBondContact NE2-OE1 2.98Å; L1093-E1097 WeakPolarHBondContact O-CB 3.5Å; L1093-E1097 PolarHBondContact O-N 3.2Å; E1097-R1099 VanDerWaalsContact C-N 3.28Å; E1097-R1099 PolarHBondContact O-N 2.79Å; E1097-I1100 PolarHBondContact O-N 3.46Å; E1097-N1101 WeakPolarHBondContact O-CB 3.41Å; E1097-N1101 VanDerWaalsContact O-CG 3.25Å; E1097-N1101 PolarHBondContact O-N 2.76Å; E1097-N1101 PolarHBondContact O-ND2 3.15Å |
| 1098 | S | 44.5 | Very low | 41.3 | Very low | 53 Ų | 53 | 93.1 Ų | 93.1 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 173.6 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | H1094 N1095 T1102 | H1094-S1098 PolarHBondContact O-N 3.06Å; H1094-S1098 PolarHBondContact O-OG 2.83Å; N1095-S1098 PolarHBondContact O-OG 2.94Å; S1098-T1102 WeakPolarHBondContact O-CB 3.45Å; S1098-T1102 WeakPolarHBondContact O-CG2 3.48Å; S1098-T1102 PolarHBondContact O-N 2.98Å; S1098-T1102 VanDerWaalsContact O-N 3.12Å; S1098-T1102 PolarHBondContact O-OG1 3.12Å |
| 1099 | R | 41.1 | Very low | 41.3 | Very low | 151 Ų | 151 | 90.6 Ų | 90.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -79.1 | -30.5 | 177.4 | -71.6 | 174.8 | 66.5 | -179.5 | 0 | 113.7 | N1095 L1096 E1097 T1102 L1103 | N1095-R1099 VanDerWaalsContact O-CB 3.3Å; N1095-R1099 WeakPolarHBondContact O-CB 3.33Å; N1095-R1099 WeakPolarHBondContact O-CD 3.36Å; N1095-R1099 WeakPolarHBondContact O-CG 3.3Å; N1095-R1099 PolarHBondContact O-N 3.04Å; N1095-R1099 WeakPolarHBondContact OD1-CD 3.39Å; L1096-R1099 PolarHBondContact O-N 2.86Å; E1097-R1099 VanDerWaalsContact C-N 3.28Å; E1097-R1099 PolarHBondContact O-N 2.79Å; R1099-T1102 WeakPolarHBondContact CA-OG1 3.34Å; R1099-T1102 PolarHBondContact O-OG1 3.2Å; R1099-L1103 WeakPolarHBondContact O-CB 3.41Å; R1099-L1103 PolarHBondContact O-N 2.85Å |
| 1100 | I | 44.1 | Very low | 41.1 | Very low | 80 Ų | 80 | 85 Ų | 85 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 169.4 | -72.7 | 166.2 | 0 | 0 | 0 | 109.4 | L1096 E1097 T1102 L1103 P1104 | L1096-I1100 HydrophobicContact CD2-CD1 4.04Å; L1096-I1100 HydrophobicContact CG-CD1 3.99Å; L1096-I1100 VanDerWaalsContact O-CG1 3.31Å; L1096-I1100 WeakPolarHBondContact O-CG1 3.37Å; L1096-I1100 PolarHBondContact O-N 2.82Å; E1097-I1100 PolarHBondContact O-N 3.46Å; I1100-T1102 VanDerWaalsContact C-N 3.28Å; I1100-T1102 PolarHBondContact O-N 3.18Å; I1100-L1103 WeakPolarHBondContact O-CB 3.45Å; I1100-L1103 PolarHBondContact O-N 2.84Å; I1100-P1104 WeakPolarHBondContact O-CD 3.49Å |
| 1101 | N | 43.3 | Very low | 41.2 | Very low | 93 Ų | 93 | 84 Ų | 84 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.4 | -25.8 | -179.4 | -70.3 | -23.2 | 0 | 0 | 0 | 113.8 | E1097 | E1097-N1101 WeakPolarHBondContact O-CB 3.41Å; E1097-N1101 VanDerWaalsContact O-CG 3.25Å; E1097-N1101 PolarHBondContact O-N 2.76Å; E1097-N1101 PolarHBondContact O-ND2 3.15Å |
| 1102 | T | 42 | Very low | 41.3 | Very low | 64 Ų | 64 | 84.5 Ų | 84.5 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -92 | -14.1 | 176 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | S1098 R1099 I1100 T1105 I1106 | S1098-T1102 WeakPolarHBondContact O-CB 3.45Å; S1098-T1102 WeakPolarHBondContact O-CG2 3.48Å; S1098-T1102 PolarHBondContact O-N 2.98Å; S1098-T1102 VanDerWaalsContact O-N 3.12Å; S1098-T1102 PolarHBondContact O-OG1 3.12Å; R1099-T1102 WeakPolarHBondContact CA-OG1 3.34Å; R1099-T1102 PolarHBondContact O-OG1 3.2Å; I1100-T1102 VanDerWaalsContact C-N 3.28Å; I1100-T1102 PolarHBondContact O-N 3.18Å; T1102-T1105 PolarHBondContact O-N 2.83Å; T1102-I1106 VanDerWaalsContact O-CG1 3.32Å; T1102-I1106 WeakPolarHBondContact O-CG1 3.17Å; T1102-I1106 PolarHBondContact O-N 3.45Å |
| 1103 | L | 40.7 | Very low | 41.5 | Very low | 65 Ų | 65 | 87 Ų | 87 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | -177.2 | -175.7 | 62.9 | 0 | 0 | 0 | 114.5 | R1099 I1100 T1107 | R1099-L1103 WeakPolarHBondContact O-CB 3.41Å; R1099-L1103 PolarHBondContact O-N 2.85Å; I1100-L1103 WeakPolarHBondContact O-CB 3.45Å; I1100-L1103 PolarHBondContact O-N 2.84Å; L1103-T1107 WeakPolarHBondContact O-CB 3.4Å; L1103-T1107 PolarHBondContact O-N 2.74Å; L1103-T1107 PolarHBondContact O-OG1 3.31Å |
| 1104 | P | 41.7 | Very low | 41.6 | Very low | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 176.7 | -22 | 34.2 | 0 | 0 | 0 | 112.3 | I1100 T1107 S1108 | I1100-P1104 WeakPolarHBondContact O-CD 3.49Å; P1104-T1107 PolarHBondContact O-N 2.88Å; P1104-S1108 WeakPolarHBondContact O-CB 3.46Å; P1104-S1108 PolarHBondContact O-N 3.43Å |
| 1105 | T | 43.9 | Very low | 41.3 | Very low | 79 Ų | 79 | 79.9 Ų | 79.9 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -51 | 179.5 | -23.7 | 0 | 0 | 0 | 0 | 110.5 | T1102 T1107 S1108 D1109 | T1102-T1105 PolarHBondContact O-N 2.83Å; T1105-T1107 VanDerWaalsContact C-N 3.27Å; T1105-T1107 PolarHBondContact O-N 3.15Å; T1105-S1108 WeakPolarHBondContact O-CB 3.4Å; T1105-S1108 PolarHBondContact O-N 2.87Å; T1105-S1108 VanDerWaalsContact O-N 3.16Å; T1105-D1109 WeakPolarHBondContact O-CB 3.4Å; T1105-D1109 VanDerWaalsContact O-CG 3.28Å; T1105-D1109 PolarHBondContact O-N 3.03Å |
| 1106 | I | 42.1 | Very low | 41.4 | Very low | 100 Ų | 100 | 81.7 Ų | 81.7 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 178.2 | -67.3 | 165.9 | 0 | 0 | 0 | 111.1 | T1102 C1110 | T1102-I1106 VanDerWaalsContact O-CG1 3.32Å; T1102-I1106 WeakPolarHBondContact O-CG1 3.17Å; T1102-I1106 PolarHBondContact O-N 3.45Å; I1106-C1110 VanDerWaalsContact O-CB 3.24Å; I1106-C1110 WeakPolarHBondContact O-CB 3.31Å; I1106-C1110 PolarHBondContact O-N 3.37Å |
| 1107 | T | 38.9 | Very low | 41.5 | Very low | 55 Ų | 55 | 83.6 Ų | 83.6 | 34% | 0.337 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | L1103 P1104 T1105 D1109 C1110 V1111 | L1103-T1107 WeakPolarHBondContact O-CB 3.4Å; L1103-T1107 PolarHBondContact O-N 2.74Å; L1103-T1107 PolarHBondContact O-OG1 3.31Å; P1104-T1107 PolarHBondContact O-N 2.88Å; T1105-T1107 VanDerWaalsContact C-N 3.27Å; T1105-T1107 PolarHBondContact O-N 3.15Å; T1107-D1109 PolarHBondContact O-N 3.26Å; T1107-C1110 PolarHBondContact O-N 2.79Å; T1107-V1111 HydrophobicContact CG2-CG2 4.47Å; T1107-V1111 WeakPolarHBondContact O-CB 3.49Å; T1107-V1111 VanDerWaalsContact O-CG2 3.31Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.24Å; T1107-V1111 PolarHBondContact O-N 3.11Å |
| 1108 | S | 42.4 | Very low | 41.4 | Very low | 60 Ų | 60 | 83.7 Ų | 83.7 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | P1104 T1105 V1111 R1112 | P1104-S1108 WeakPolarHBondContact O-CB 3.46Å; P1104-S1108 PolarHBondContact O-N 3.43Å; T1105-S1108 WeakPolarHBondContact O-CB 3.4Å; T1105-S1108 PolarHBondContact O-N 2.87Å; T1105-S1108 VanDerWaalsContact O-N 3.16Å; S1108-V1111 PolarHBondContact O-N 3.44Å; S1108-R1112 VanDerWaalsContact O-CB 3.24Å; S1108-R1112 WeakPolarHBondContact O-CB 3.44Å; S1108-R1112 PolarHBondContact O-N 2.81Å; S1108-R1112 PolarHBondContact OG-NH2 3Å |
| 1109 | D | 41.1 | Very low | 41.1 | Very low | 56 Ų | 56 | 85.3 Ų | 85.3 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.2 | -25.1 | -179.4 | -64.7 | -23.5 | 0 | 0 | 0 | 113.2 | T1105 T1107 R1112 R1113 | T1105-D1109 WeakPolarHBondContact O-CB 3.4Å; T1105-D1109 VanDerWaalsContact O-CG 3.28Å; T1105-D1109 PolarHBondContact O-N 3.03Å; T1107-D1109 PolarHBondContact O-N 3.26Å; D1109-R1112 IonicContact OD1-CZ 2.69Å; D1109-R1112 IonicContact OD1-NH1 2.71Å; D1109-R1112 PolarHBondContact OD1-NH1 2.88Å; D1109-R1112 IonicContact OD1-NH2 3.14Å; D1109-R1112 PolarHBondContact OD1-NH2 2.91Å; D1109-R1113 PolarHBondContact O-N 2.86Å; D1109-R1113 PolarHBondContact O-NE 2.84Å; D1109-R1113 PolarHBondContact O-NH2 2.93Å |
| 1110 | C | 38.6 | Very low | 41 | Very low | 42 Ų | 42 | 83.2 Ų | 83.2 | 28% | 0.284 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.3 | -50.8 | 170.6 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | I1106 T1107 R1112 R1113 V1114 | I1106-C1110 VanDerWaalsContact O-CB 3.24Å; I1106-C1110 WeakPolarHBondContact O-CB 3.31Å; I1106-C1110 PolarHBondContact O-N 3.37Å; T1107-C1110 PolarHBondContact O-N 2.79Å; C1110-R1112 VanDerWaalsContact C-N 3.34Å; C1110-R1112 PolarHBondContact O-N 3.28Å; C1110-R1113 PolarHBondContact O-N 3.3Å; C1110-V1114 WeakPolarHBondContact O-CG2 2.98Å; C1110-V1114 PolarHBondContact O-N 3.42Å; C1110-V1114 VanDerWaalsContact O-N 3.17Å |
| 1111 | V | 40.1 | Very low | 41 | Very low | 62 Ų | 62 | 84.8 Ų | 84.8 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.2 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | T1107 S1108 R1113 L1115 | T1107-V1111 HydrophobicContact CG2-CG2 4.47Å; T1107-V1111 WeakPolarHBondContact O-CB 3.49Å; T1107-V1111 VanDerWaalsContact O-CG2 3.31Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.24Å; T1107-V1111 PolarHBondContact O-N 3.11Å; S1108-V1111 PolarHBondContact O-N 3.44Å; V1111-R1113 PolarHBondContact O-N 3.09Å; V1111-L1115 HydrophobicContact CG1-CD1 3.73Å; V1111-L1115 WeakPolarHBondContact O-CB 3.47Å; V1111-L1115 PolarHBondContact O-N 2.89Å |
| 1112 | R | 43.4 | Very low | 40.9 | Very low | 136 Ų | 136 | 83 Ų | 83 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | -178.9 | -161.2 | -175.2 | -43.5 | 113.4 | 19.2 | 113.2 | S1108 D1109 C1110 H1116 | S1108-R1112 VanDerWaalsContact O-CB 3.24Å; S1108-R1112 WeakPolarHBondContact O-CB 3.44Å; S1108-R1112 PolarHBondContact O-N 2.81Å; S1108-R1112 PolarHBondContact OG-NH2 3Å; D1109-R1112 IonicContact OD1-CZ 2.69Å; D1109-R1112 IonicContact OD1-NH1 2.71Å; D1109-R1112 PolarHBondContact OD1-NH1 2.88Å; D1109-R1112 IonicContact OD1-NH2 3.14Å; D1109-R1112 PolarHBondContact OD1-NH2 2.91Å; C1110-R1112 VanDerWaalsContact C-N 3.34Å; C1110-R1112 PolarHBondContact O-N 3.28Å; R1112-H1116 VanDerWaalsContact O-CB 3.28Å; R1112-H1116 WeakPolarHBondContact O-CB 3.42Å; R1112-H1116 PolarHBondContact O-N 3.23Å |
| 1113 | R | 42 | Very low | 40.7 | Very low | 161 Ų | 161 | 84.2 Ų | 84.2 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.8 | -48.8 | 176.8 | -84.5 | 177.5 | -71.2 | 165 | -5.5 | 112.2 | D1109 C1110 V1111 L1115 H1116 E1117 | D1109-R1113 PolarHBondContact O-N 2.86Å; D1109-R1113 PolarHBondContact O-NE 2.84Å; D1109-R1113 PolarHBondContact O-NH2 2.93Å; C1110-R1113 PolarHBondContact O-N 3.3Å; V1111-R1113 PolarHBondContact O-N 3.09Å; R1113-L1115 VanDerWaalsContact C-N 3.33Å; R1113-L1115 PolarHBondContact O-N 2.74Å; R1113-H1116 PolarHBondContact O-N 3.37Å; R1113-H1116 VanDerWaalsContact O-N 3.13Å; R1113-E1117 PolarHBondContact O-N 2.92Å |
| 1114 | V | 38.6 | Very low | 40.8 | Very low | 51 Ų | 51 | 84.7 Ų | 84.7 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | C1110 H1116 E1118 | C1110-V1114 WeakPolarHBondContact O-CG2 2.98Å; C1110-V1114 PolarHBondContact O-N 3.42Å; C1110-V1114 VanDerWaalsContact O-N 3.17Å; V1114-H1116 PolarHBondContact O-N 2.88Å; V1114-E1118 HydrophobicContact CG1-CG 4.34Å; V1114-E1118 WeakPolarHBondContact O-CB 3.17Å; V1114-E1118 WeakPolarHBondContact O-CG 3.43Å; V1114-E1118 PolarHBondContact O-N 3.26Å |
| 1115 | L | 37.8 | Very low | 40.9 | Very low | 51 Ų | 51 | 85.2 Ų | 85.2 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.5 | -83.5 | 163.4 | 0 | 0 | 0 | 112.5 | V1111 R1113 L1119 Y1186 | V1111-L1115 HydrophobicContact CG1-CD1 3.73Å; V1111-L1115 WeakPolarHBondContact O-CB 3.47Å; V1111-L1115 PolarHBondContact O-N 2.89Å; R1113-L1115 VanDerWaalsContact C-N 3.33Å; R1113-L1115 PolarHBondContact O-N 2.74Å; L1115-L1119 HydrophobicContact CB-CD1 4.46Å; L1115-L1119 HydrophobicContact CD2-CD1 4.36Å; L1115-L1119 WeakPolarHBondContact O-CB 3.44Å; L1115-L1119 WeakPolarHBondContact O-CD1 3.29Å; L1115-L1119 WeakPolarHBondContact O-CG 3.29Å; L1115-L1119 PolarHBondContact O-N 3.15Å; L1115-Y1186 WeakPolarHBondContact CD1-OH 3.45Å; L1115-Y1186 HydrophobicContact CD2-CE2 4.18Å; L1115-Y1186 WeakPolarHBondContact CD2-OH 3.27Å |
| 1116 | H | 42.7 | Very low | 40.7 | Very low | 124 Ų | 124 | 84.2 Ų | 84.2 | 57% | 0.574 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | -177.7 | -172.2 | -93.4 | 0 | 0 | 0 | 112.5 | R1112 R1113 V1114 L1120 | R1112-H1116 VanDerWaalsContact O-CB 3.28Å; R1112-H1116 WeakPolarHBondContact O-CB 3.42Å; R1112-H1116 PolarHBondContact O-N 3.23Å; R1113-H1116 PolarHBondContact O-N 3.37Å; R1113-H1116 VanDerWaalsContact O-N 3.13Å; V1114-H1116 PolarHBondContact O-N 2.88Å; H1116-L1120 VanDerWaalsContact CE1-CD1 3.44Å; H1116-L1120 WeakPolarHBondContact CE1-CD1 3.46Å; H1116-L1120 WeakPolarHBondContact O-CB 3.37Å; H1116-L1120 VanDerWaalsContact O-CG 3.29Å; H1116-L1120 WeakPolarHBondContact O-CG 3.32Å; H1116-L1120 PolarHBondContact O-N 2.86Å |
| 1117 | E | 41.2 | Very low | 40.7 | Very low | 118 Ų | 118 | 81.7 Ų | 81.7 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.6 | -44.9 | 178.4 | -71.1 | -173.2 | -172.1 | 0 | 0 | 112.7 | R1113 L1120 R1121 | R1113-E1117 PolarHBondContact O-N 2.92Å; E1117-L1120 PolarHBondContact O-N 2.86Å; E1117-R1121 WeakPolarHBondContact O-CB 3.33Å; E1117-R1121 PolarHBondContact O-N 2.96Å |
| 1118 | E | 38.6 | Very low | 41 | Very low | 68 Ų | 68 | 81.8 Ų | 81.8 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.2 | -35.9 | -179 | -61.8 | -52.2 | 151.9 | 0 | 0 | 112.6 | V1114 L1120 R1121 V1122 | V1114-E1118 HydrophobicContact CG1-CG 4.34Å; V1114-E1118 WeakPolarHBondContact O-CB 3.17Å; V1114-E1118 WeakPolarHBondContact O-CG 3.43Å; V1114-E1118 PolarHBondContact O-N 3.26Å; E1118-L1120 PolarHBondContact O-N 2.9Å; E1118-R1121 VanDerWaalsContact CD-CZ 3.47Å; E1118-R1121 PolarHBondContact O-N 2.97Å; E1118-R1121 IonicContact OE1-CZ 2.72Å; E1118-R1121 IonicContact OE1-NH1 3.13Å; E1118-R1121 PolarHBondContact OE1-NH1 3.05Å; E1118-R1121 IonicContact OE1-NH2 3.35Å; E1118-R1121 PolarHBondContact OE1-NH2 3.25Å; E1118-R1121 IonicContact OE2-CZ 2.69Å; E1118-R1121 IonicContact OE2-NE 1.82Å; E1118-R1121 IonicContact OE2-NH1 3.84Å; E1118-R1121 PolarHBondContact OE2-NH1 3.13Å; E1118-R1121 IonicContact OE2-NH2 3.13Å; E1118-V1122 VanDerWaalsContact O-CB 3.29Å; E1118-V1122 WeakPolarHBondContact O-CB 3.33Å; E1118-V1122 VanDerWaalsContact O-CG2 3.26Å; E1118-V1122 WeakPolarHBondContact O-CG2 3.34Å; E1118-V1122 PolarHBondContact O-N 2.7Å |
| 1119 | L | 38.4 | Very low | 41.1 | Very low | 88 Ų | 88 | 84.2 Ų | 84.2 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 172.2 | -71.4 | 169.1 | 0 | 0 | 0 | 110.8 | L1115 F1123 | L1115-L1119 HydrophobicContact CB-CD1 4.46Å; L1115-L1119 HydrophobicContact CD2-CD1 4.36Å; L1115-L1119 WeakPolarHBondContact O-CB 3.44Å; L1115-L1119 WeakPolarHBondContact O-CD1 3.29Å; L1115-L1119 WeakPolarHBondContact O-CG 3.29Å; L1115-L1119 PolarHBondContact O-N 3.15Å; L1119-F1123 HydrophobicContact CB-CD2 4.33Å; L1119-F1123 HydrophobicContact CB-CE2 4.4Å; L1119-F1123 HydrophobicContact CD2-CE2 3.99Å; L1119-F1123 VanDerWaalsContact O-CB 3.32Å; L1119-F1123 WeakPolarHBondContact O-CB 3.46Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.35Å; L1119-F1123 WeakPolarHBondContact O-CG 3.24Å; L1119-F1123 PolarHBondContact O-N 3.43Å |
| 1120 | L | 40.6 | Very low | 41.2 | Very low | 106 Ų | 106 | 84.8 Ų | 84.8 | 56% | 0.555 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 176.2 | -76.3 | 173.8 | 0 | 0 | 0 | 112 | H1116 E1117 E1118 S1124 | H1116-L1120 VanDerWaalsContact CE1-CD1 3.44Å; H1116-L1120 WeakPolarHBondContact CE1-CD1 3.46Å; H1116-L1120 WeakPolarHBondContact O-CB 3.37Å; H1116-L1120 VanDerWaalsContact O-CG 3.29Å; H1116-L1120 WeakPolarHBondContact O-CG 3.32Å; H1116-L1120 PolarHBondContact O-N 2.86Å; E1117-L1120 PolarHBondContact O-N 2.86Å; E1118-L1120 PolarHBondContact O-N 2.9Å; L1120-S1124 WeakPolarHBondContact O-CB 3.31Å; L1120-S1124 PolarHBondContact O-N 3.36Å; L1120-S1124 PolarHBondContact O-OG 3.48Å; L1120-S1124 VanDerWaalsContact O-OG 3.12Å |
| 1121 | R | 42.6 | Very low | 41.6 | Very low | 113 Ų | 113 | 83.1 Ų | 83.1 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | -179.5 | -165 | -172.3 | -56.9 | 148.1 | 15.6 | 112.9 | E1117 E1118 S1124 N1125 | E1117-R1121 WeakPolarHBondContact O-CB 3.33Å; E1117-R1121 PolarHBondContact O-N 2.96Å; E1118-R1121 VanDerWaalsContact CD-CZ 3.47Å; E1118-R1121 PolarHBondContact O-N 2.97Å; E1118-R1121 IonicContact OE1-CZ 2.72Å; E1118-R1121 IonicContact OE1-NH1 3.13Å; E1118-R1121 PolarHBondContact OE1-NH1 3.05Å; E1118-R1121 IonicContact OE1-NH2 3.35Å; E1118-R1121 PolarHBondContact OE1-NH2 3.25Å; E1118-R1121 IonicContact OE2-CZ 2.69Å; E1118-R1121 IonicContact OE2-NE 1.82Å; E1118-R1121 IonicContact OE2-NH1 3.84Å; E1118-R1121 PolarHBondContact OE2-NH1 3.13Å; E1118-R1121 IonicContact OE2-NH2 3.13Å; R1121-S1124 PolarHBondContact O-OG 3.08Å; R1121-S1124 VanDerWaalsContact O-OG 3.13Å; R1121-N1125 WeakPolarHBondContact O-CB 3.46Å; R1121-N1125 VanDerWaalsContact O-CG 3.22Å; R1121-N1125 PolarHBondContact O-N 3.37Å |
| 1122 | V | 40.8 | Very low | 42 | Very low | 55 Ų | 55 | 85.1 Ų | 85.1 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | E1118 N1126 | E1118-V1122 VanDerWaalsContact O-CB 3.29Å; E1118-V1122 WeakPolarHBondContact O-CB 3.33Å; E1118-V1122 VanDerWaalsContact O-CG2 3.26Å; E1118-V1122 WeakPolarHBondContact O-CG2 3.34Å; E1118-V1122 PolarHBondContact O-N 2.7Å; V1122-N1126 WeakPolarHBondContact O-CB 3.43Å; V1122-N1126 PolarHBondContact O-N 3.08Å; V1122-N1126 PolarHBondContact O-ND2 3.16Å |
| 1123 | F | 39.7 | Very low | 42.2 | Very low | 91 Ų | 91 | 81.7 Ų | 81.7 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.6 | -43 | 176.6 | -75.4 | -55.3 | 0 | 0 | 0 | 112.9 | L1119 N1125 L1127 L1182 | L1119-F1123 HydrophobicContact CB-CD2 4.33Å; L1119-F1123 HydrophobicContact CB-CE2 4.4Å; L1119-F1123 HydrophobicContact CD2-CE2 3.99Å; L1119-F1123 VanDerWaalsContact O-CB 3.32Å; L1119-F1123 WeakPolarHBondContact O-CB 3.46Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.35Å; L1119-F1123 WeakPolarHBondContact O-CG 3.24Å; L1119-F1123 PolarHBondContact O-N 3.43Å; F1123-N1125 VanDerWaalsContact C-N 3.25Å; F1123-N1125 PolarHBondContact O-N 3.11Å; F1123-L1127 WeakPolarHBondContact O-CB 3.23Å; F1123-L1127 PolarHBondContact O-N 3.43Å; F1123-L1127 VanDerWaalsContact O-N 3.15Å; F1123-L1182 HydrophobicContact CE1-CD1 3.68Å; F1123-L1182 HydrophobicContact CZ-CD1 3.93Å |
| 1124 | S | 42.8 | Very low | 42.3 | Very low | 75 Ų | 75 | 77.4 Ų | 77.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.5 | -39.1 | 179.9 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | L1120 R1121 | L1120-S1124 WeakPolarHBondContact O-CB 3.31Å; L1120-S1124 PolarHBondContact O-N 3.36Å; L1120-S1124 PolarHBondContact O-OG 3.48Å; L1120-S1124 VanDerWaalsContact O-OG 3.12Å; R1121-S1124 PolarHBondContact O-OG 3.08Å; R1121-S1124 VanDerWaalsContact O-OG 3.13Å |
| 1125 | N | 43.7 | Very low | 42.8 | Very low | 99 Ų | 99 | 76.4 Ų | 76.4 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -89.8 | -16.7 | -169.2 | -62.4 | 2.8 | 0 | 0 | 0 | 113.7 | R1121 F1123 | R1121-N1125 WeakPolarHBondContact O-CB 3.46Å; R1121-N1125 VanDerWaalsContact O-CG 3.22Å; R1121-N1125 PolarHBondContact O-N 3.37Å; F1123-N1125 VanDerWaalsContact C-N 3.25Å; F1123-N1125 PolarHBondContact O-N 3.11Å |
| 1126 | N | 39.1 | Very low | 43.6 | Very low | 58 Ų | 58 | 80.2 Ų | 80.2 | 31% | 0.31 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -110.4 | -13.8 | -179.1 | -65.9 | -71.6 | 0 | 0 | 0 | 114.2 | V1122 S1128 R1129 V1130 | V1122-N1126 WeakPolarHBondContact O-CB 3.43Å; V1122-N1126 PolarHBondContact O-N 3.08Å; V1122-N1126 PolarHBondContact O-ND2 3.16Å; N1126-S1128 PolarHBondContact O-N 2.9Å; N1126-R1129 WeakPolarHBondContact O-CB 3.44Å; N1126-R1129 PolarHBondContact O-N 3.39Å; N1126-R1129 VanDerWaalsContact O-N 3.13Å; N1126-V1130 PolarHBondContact O-N 3.03Å; N1126-V1130 VanDerWaalsContact O-N 3.1Å |
| 1127 | L | 41 | Very low | 44 | Very low | 47 Ų | 47 | 77.4 Ų | 77.4 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.5 | -34.8 | -176.4 | -169.5 | 57.9 | 0 | 0 | 0 | 112.9 | F1123 V1131 V1171 | F1123-L1127 WeakPolarHBondContact O-CB 3.23Å; F1123-L1127 PolarHBondContact O-N 3.43Å; F1123-L1127 VanDerWaalsContact O-N 3.15Å; L1127-V1131 HydrophobicContact CD1-CG2 4.39Å; L1127-V1131 WeakPolarHBondContact O-CB 3.34Å; L1127-V1131 VanDerWaalsContact O-CG2 3.26Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.45Å; L1127-V1131 PolarHBondContact O-N 3.38Å; L1127-V1171 HydrophobicContact CD2-CG1 3.6Å; L1127-V1171 HydrophobicContact CG-CG1 4.03Å |
| 1128 | S | 46.4 | Very low | 44.3 | Very low | 57 Ų | 57 | 74.8 Ų | 74.8 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 168.3 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | N1126 V1130 V1131 E1132 | N1126-S1128 PolarHBondContact O-N 2.9Å; S1128-V1130 PolarHBondContact O-N 3.05Å; S1128-V1131 PolarHBondContact O-N 3.1Å; S1128-E1132 WeakPolarHBondContact O-CB 3.32Å; S1128-E1132 PolarHBondContact O-N 2.92Å |
| 1129 | R | 44.8 | Very low | 44.9 | Very low | 111 Ų | 111 | 73.7 Ų | 73.7 | 42% | 0.419 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -23.2 | -178.4 | -67.7 | 179.2 | 157.4 | -145.7 | -13.3 | 114.7 | F167 N1126 P1133 | F167-R1129 PolarHBondContact O-NH2 3.46Å; F167-R1129 VanDerWaalsContact O-NH2 3.13Å; N1126-R1129 WeakPolarHBondContact O-CB 3.44Å; N1126-R1129 PolarHBondContact O-N 3.39Å; N1126-R1129 VanDerWaalsContact O-N 3.13Å; R1129-P1133 WeakPolarHBondContact O-CD 3.2Å; R1129-P1133 VanDerWaalsContact O-CG 3.28Å; R1129-P1133 WeakPolarHBondContact O-CG 3.46Å |
| 1130 | V | 43.4 | Very low | 45.5 | Very low | 67 Ų | 67 | 72.4 Ų | 72.4 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -86.6 | -40.2 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | N1126 S1128 L1134 L1178 | N1126-V1130 PolarHBondContact O-N 3.03Å; N1126-V1130 VanDerWaalsContact O-N 3.1Å; S1128-V1130 PolarHBondContact O-N 3.05Å; V1130-L1134 WeakPolarHBondContact O-CB 3.44Å; V1130-L1178 HydrophobicContact CG1-CD1 4.26Å |
| 1131 | V | 45.2 | Very low | 46.1 | Very low | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.8 | -37.4 | -174.2 | 170 | 0 | 0 | 0 | 0 | 113.1 | L1127 S1128 L1134 Q1135 T1167 V1171 | L1127-V1131 HydrophobicContact CD1-CG2 4.39Å; L1127-V1131 WeakPolarHBondContact O-CB 3.34Å; L1127-V1131 VanDerWaalsContact O-CG2 3.26Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.45Å; L1127-V1131 PolarHBondContact O-N 3.38Å; S1128-V1131 PolarHBondContact O-N 3.1Å; V1131-L1134 PolarHBondContact O-N 3.46Å; V1131-Q1135 VanDerWaalsContact O-CB 3.25Å; V1131-Q1135 WeakPolarHBondContact O-CB 3.38Å; V1131-Q1135 PolarHBondContact O-N 3.28Å; V1131-T1167 HydrophobicContact CG1-CG2 4.04Å; V1131-V1171 HydrophobicContact CB-CG2 4.37Å; V1131-V1171 HydrophobicContact CG1-CG2 3.92Å; V1131-V1171 HydrophobicContact CG2-CG2 3.96Å |
| 1132 | E | 48.8 | Very low | 46.4 | Very low | 105 Ų | 105 | 68.3 Ų | 68.3 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | -177.8 | -73.1 | 177.7 | 95.2 | 0 | 0 | 113.2 | S1128 L1134 Q1135 Q1136 | S1128-E1132 WeakPolarHBondContact O-CB 3.32Å; S1128-E1132 PolarHBondContact O-N 2.92Å; E1132-L1134 VanDerWaalsContact C-N 3.26Å; E1132-L1134 PolarHBondContact O-N 2.98Å; E1132-Q1135 PolarHBondContact O-N 3.2Å; E1132-Q1136 WeakPolarHBondContact O-CB 3.33Å; E1132-Q1136 VanDerWaalsContact O-CG 3.24Å; E1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; E1132-Q1136 PolarHBondContact O-N 3.36Å |
| 1133 | P | 47.8 | Very low | 47 | Very low | 63 Ų | 63 | 72.2 Ų | 72.2 | 41% | 0.409 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 173.7 | -22.8 | 35.3 | 0 | 0 | 0 | 112.7 | R1129 S1137 | R1129-P1133 WeakPolarHBondContact O-CD 3.2Å; R1129-P1133 VanDerWaalsContact O-CG 3.28Å; R1129-P1133 WeakPolarHBondContact O-CG 3.46Å; P1133-S1137 VanDerWaalsContact O-CB 3.25Å; P1133-S1137 WeakPolarHBondContact O-CB 3.15Å; P1133-S1137 PolarHBondContact O-N 2.93Å |
| 1134 | L | 44.3 | Very low | 47.7 | Very low | 71 Ų | 71 | 72.4 Ų | 72.4 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.2 | -38.6 | 178.5 | -156.2 | 157.8 | 0 | 0 | 0 | 110.9 | V1130 V1131 E1132 S1137 L1138 | V1130-L1134 WeakPolarHBondContact O-CB 3.44Å; V1131-L1134 PolarHBondContact O-N 3.46Å; E1132-L1134 VanDerWaalsContact C-N 3.26Å; E1132-L1134 PolarHBondContact O-N 2.98Å; L1134-S1137 PolarHBondContact O-N 2.85Å; L1134-L1138 VanDerWaalsContact O-CB 3.24Å; L1134-L1138 WeakPolarHBondContact O-CB 3.33Å; L1134-L1138 PolarHBondContact O-N 3.1Å |
| 1135 | Q | 48.2 | Very low | 48.1 | Very low | 30 Ų | 30 | 75.4 Ų | 75.4 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 170.9 | -177.1 | 168.4 | 5.7 | 0 | 0 | 111.3 | V1131 E1132 F1139 L1161 T1167 | V1131-Q1135 VanDerWaalsContact O-CB 3.25Å; V1131-Q1135 WeakPolarHBondContact O-CB 3.38Å; V1131-Q1135 PolarHBondContact O-N 3.28Å; E1132-Q1135 PolarHBondContact O-N 3.2Å; Q1135-F1139 HydrophobicContact CG-CD2 3.94Å; Q1135-F1139 HydrophobicContact CG-CE2 4.02Å; Q1135-F1139 WeakPolarHBondContact O-CB 3.33Å; Q1135-F1139 VanDerWaalsContact O-CD2 3.3Å; Q1135-F1139 WeakPolarHBondContact O-CD2 3.44Å; Q1135-F1139 PolarHBondContact O-N 2.89Å; Q1135-L1161 PolarHBondContact NE2-O 3.02Å; Q1135-T1167 PolarHBondContact NE2-OG1 3Å; Q1135-T1167 PolarHBondContact OE1-OG1 2.88Å |
| 1136 | Q | 55.4 | Low | 48.1 | Very low | 131 Ų | 131 | 72 Ų | 72 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 174.7 | -73.2 | 173.5 | 15 | 0 | 0 | 112.2 | E1132 F1139 S1140 | E1132-Q1136 WeakPolarHBondContact O-CB 3.33Å; E1132-Q1136 VanDerWaalsContact O-CG 3.24Å; E1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; E1132-Q1136 PolarHBondContact O-N 3.36Å; Q1136-F1139 WeakPolarHBondContact O-CB 3.41Å; Q1136-F1139 PolarHBondContact O-N 2.83Å; Q1136-S1140 PolarHBondContact O-N 3.13Å |
| 1137 | S | 51.2 | Low | 48.5 | Very low | 66 Ų | 66 | 73.5 Ų | 73.5 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | P1133 L1134 F1139 S1140 V1141 | P1133-S1137 VanDerWaalsContact O-CB 3.25Å; P1133-S1137 WeakPolarHBondContact O-CB 3.15Å; P1133-S1137 PolarHBondContact O-N 2.93Å; L1134-S1137 PolarHBondContact O-N 2.85Å; S1137-F1139 VanDerWaalsContact C-N 3.29Å; S1137-F1139 PolarHBondContact O-N 2.92Å; S1137-S1140 PolarHBondContact O-N 3.04Å; S1137-S1140 VanDerWaalsContact O-N 3.09Å; S1137-V1141 PolarHBondContact O-N 3.03Å |
| 1138 | L | 46.6 | Very low | 48.9 | Very low | 63 Ų | 63 | 77 Ų | 77 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 172.3 | -170.1 | 74.5 | 0 | 0 | 0 | 111.5 | L1134 L1142 F1166 I1170 | L1134-L1138 VanDerWaalsContact O-CB 3.24Å; L1134-L1138 WeakPolarHBondContact O-CB 3.33Å; L1134-L1138 PolarHBondContact O-N 3.1Å; L1138-L1142 HydrophobicContact CD1-CD1 4.34Å; L1138-L1142 HydrophobicContact CD2-CD1 4.38Å; L1138-L1142 HydrophobicContact CG-CD1 3.89Å; L1138-L1142 HydrophobicContact CG-CG 4.47Å; L1138-L1142 VanDerWaalsContact O-CB 3.25Å; L1138-L1142 WeakPolarHBondContact O-CB 3.27Å; L1138-L1142 VanDerWaalsContact O-CG 3.3Å; L1138-L1142 WeakPolarHBondContact O-CG 3.47Å; L1138-L1142 PolarHBondContact O-N 2.95Å; L1138-F1166 HydrophobicContact CD2-CE1 4.49Å; L1138-F1166 HydrophobicContact CD2-CZ 4.49Å; L1138-I1170 HydrophobicContact CD2-CD1 4.02Å |
| 1139 | F | 51.5 | Low | 48.6 | Very low | 45 Ų | 45 | 78 Ų | 78 | 20% | 0.197 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 173 | -100.2 | -60.5 | 0 | 0 | 0 | 112.7 | Q1135 Q1136 S1137 K1143 Q1158 L1161 R1162 | Q1135-F1139 HydrophobicContact CG-CD2 3.94Å; Q1135-F1139 HydrophobicContact CG-CE2 4.02Å; Q1135-F1139 WeakPolarHBondContact O-CB 3.33Å; Q1135-F1139 VanDerWaalsContact O-CD2 3.3Å; Q1135-F1139 WeakPolarHBondContact O-CD2 3.44Å; Q1135-F1139 PolarHBondContact O-N 2.89Å; Q1136-F1139 WeakPolarHBondContact O-CB 3.41Å; Q1136-F1139 PolarHBondContact O-N 2.83Å; S1137-F1139 VanDerWaalsContact C-N 3.29Å; S1137-F1139 PolarHBondContact O-N 2.92Å; F1139-K1143 WeakPolarHBondContact O-CB 3.28Å; F1139-K1143 PolarHBondContact O-N 2.84Å; F1139-Q1158 HydrophobicContact CD1-CG 4.35Å; F1139-Q1158 HydrophobicContact CE1-CG 3.68Å; F1139-L1161 HydrophobicContact CD1-CD1 4.06Å; F1139-L1161 HydrophobicContact CE1-CB 3.55Å; F1139-L1161 HydrophobicContact CE1-CD1 3.67Å; F1139-L1161 HydrophobicContact CE1-CG 4.29Å; F1139-L1161 HydrophobicContact CE2-CB 4.12Å; F1139-L1161 HydrophobicContact CZ-CB 3.29Å; F1139-L1161 HydrophobicContact CZ-CD1 4.27Å; F1139-L1161 HydrophobicContact CZ-CG 4.43Å; F1139-L1161 WeakPolarHBondContact CZ-O 3.34Å; F1139-R1162 HydrophobicContact CE2-CG 4.36Å; F1139-R1162 HydrophobicContact CZ-CG 3.97Å |
| 1140 | S | 52.3 | Low | 48.9 | Very low | 61 Ų | 61 | 77.3 Ų | 77.3 | 43% | 0.427 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -53.3 | 176.8 | -158 | 0 | 0 | 0 | 0 | 110.7 | Q1136 S1137 L1142 K1143 D1144 | Q1136-S1140 PolarHBondContact O-N 3.13Å; S1137-S1140 PolarHBondContact O-N 3.04Å; S1137-S1140 VanDerWaalsContact O-N 3.09Å; S1140-L1142 VanDerWaalsContact C-N 3.34Å; S1140-L1142 PolarHBondContact O-N 2.86Å; S1140-K1143 PolarHBondContact O-N 2.89Å; S1140-K1143 VanDerWaalsContact O-N 3.11Å; S1140-D1144 VanDerWaalsContact O-CG 3.3Å; S1140-D1144 PolarHBondContact O-N 2.82Å |
| 1141 | V | 53.5 | Low | 49.4 | Very low | 77 Ų | 77 | 79.2 Ų | 79.2 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | -179.1 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | S1137 H1145 | S1137-V1141 PolarHBondContact O-N 3.03Å; V1141-H1145 PolarHBondContact O-CD2 2.95Å; V1141-H1145 VanDerWaalsContact O-CD2 3.3Å; V1141-H1145 PolarHBondContact O-N 2.91Å; V1141-H1145 VanDerWaalsContact O-N 3.16Å |
| 1142 | L | 48.7 | Very low | 49.5 | Very low | 56 Ų | 56 | 84.4 Ų | 84.4 | 29% | 0.293 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 175 | -72.1 | 173.9 | 0 | 0 | 0 | 112.1 | L1138 S1140 L1146 L1161 | L1138-L1142 HydrophobicContact CD1-CD1 4.34Å; L1138-L1142 HydrophobicContact CD2-CD1 4.38Å; L1138-L1142 HydrophobicContact CG-CD1 3.89Å; L1138-L1142 HydrophobicContact CG-CG 4.47Å; L1138-L1142 VanDerWaalsContact O-CB 3.25Å; L1138-L1142 WeakPolarHBondContact O-CB 3.27Å; L1138-L1142 VanDerWaalsContact O-CG 3.3Å; L1138-L1142 WeakPolarHBondContact O-CG 3.47Å; L1138-L1142 PolarHBondContact O-N 2.95Å; S1140-L1142 VanDerWaalsContact C-N 3.34Å; S1140-L1142 PolarHBondContact O-N 2.86Å; L1142-L1146 HydrophobicContact CB-CD1 4.26Å; L1142-L1146 WeakPolarHBondContact O-CB 3.49Å; L1142-L1146 WeakPolarHBondContact O-CD1 3.38Å; L1142-L1146 WeakPolarHBondContact O-CG 3.44Å; L1142-L1146 PolarHBondContact O-N 2.78Å; L1142-L1161 HydrophobicContact CD1-CD1 3.69Å; L1142-L1161 HydrophobicContact CD1-CD2 4.08Å |
| 1143 | K | 52.5 | Low | 49.4 | Very low | 136 Ų | 136 | 83.5 Ų | 83.5 | 59% | 0.591 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 176.6 | 178.1 | -172.4 | 174.1 | -163.3 | 0 | 111.5 | F1139 S1140 L1146 S1147 | F1139-K1143 WeakPolarHBondContact O-CB 3.28Å; F1139-K1143 PolarHBondContact O-N 2.84Å; S1140-K1143 PolarHBondContact O-N 2.89Å; S1140-K1143 VanDerWaalsContact O-N 3.11Å; K1143-L1146 PolarHBondContact O-N 3.05Å; K1143-S1147 WeakPolarHBondContact O-CB 3.42Å; K1143-S1147 PolarHBondContact O-N 3.29Å |
| 1144 | D | 53.5 | Low | 49.5 | Very low | 96 Ų | 96 | 82 Ų | 82 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | -178.4 | -65 | -29.1 | 0 | 0 | 0 | 111.2 | S1140 S1147 | S1140-D1144 VanDerWaalsContact O-CG 3.3Å; S1140-D1144 PolarHBondContact O-N 2.82Å; D1144-S1147 WeakPolarHBondContact O-CB 3.42Å; D1144-S1147 PolarHBondContact O-OG 2.73Å |
| 1145 | H | 51.7 | Low | 50.1 | Low | 138 Ų | 138 | 81.9 Ų | 81.9 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.5 | -40.5 | 172.3 | -73 | -47.1 | 0 | 0 | 0 | 113.7 | V1141 S1147 T1148 | V1141-H1145 PolarHBondContact O-CD2 2.95Å; V1141-H1145 VanDerWaalsContact O-CD2 3.3Å; V1141-H1145 PolarHBondContact O-N 2.91Å; V1141-H1145 VanDerWaalsContact O-N 3.16Å; H1145-S1147 PolarHBondContact O-N 3.44Å; H1145-T1148 PolarHBondContact O-OG1 3.07Å |
| 1146 | L | 44.8 | Very low | 50.6 | Low | 26 Ų | 26 | 84.4 Ų | 84.4 | 14% | 0.136 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -74 | -11.2 | 177.8 | -66.6 | 167 | 0 | 0 | 0 | 113.5 | L1142 K1143 T1148 L1149 T1154 V1157 | L1142-L1146 HydrophobicContact CB-CD1 4.26Å; L1142-L1146 WeakPolarHBondContact O-CB 3.49Å; L1142-L1146 WeakPolarHBondContact O-CD1 3.38Å; L1142-L1146 WeakPolarHBondContact O-CG 3.44Å; L1142-L1146 PolarHBondContact O-N 2.78Å; K1143-L1146 PolarHBondContact O-N 3.05Å; L1146-T1148 PolarHBondContact O-N 2.86Å; L1146-T1148 VanDerWaalsContact O-N 3.1Å; L1146-L1149 HydrophobicContact CD2-CD1 3.79Å; L1146-L1149 PolarHBondContact O-N 2.94Å; L1146-T1154 HydrophobicContact CB-CG2 4.12Å; L1146-T1154 PolarHBondContact O-OG1 3.48Å; L1146-V1157 HydrophobicContact CD1-CB 4.07Å; L1146-V1157 HydrophobicContact CD1-CG1 3.67Å |
| 1147 | S | 47.5 | Very low | 50.5 | Low | 90 Ų | 90 | 80.3 Ų | 80.3 | 63% | 0.629 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.5 | 172.9 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | K1143 D1144 H1145 | K1143-S1147 WeakPolarHBondContact O-CB 3.42Å; K1143-S1147 PolarHBondContact O-N 3.29Å; D1144-S1147 WeakPolarHBondContact O-CB 3.42Å; D1144-S1147 PolarHBondContact O-OG 2.73Å; H1145-S1147 PolarHBondContact O-N 3.44Å |
| 1148 | T | 48.1 | Very low | 50.8 | Low | 120 Ų | 120 | 80.5 Ų | 80.5 | 74% | 0.736 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.8 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | H1145 L1146 | H1145-T1148 PolarHBondContact O-OG1 3.07Å; L1146-T1148 PolarHBondContact O-N 2.86Å; L1146-T1148 VanDerWaalsContact O-N 3.1Å |
| 1149 | L | 40.6 | Very low | 51.5 | Low | 80 Ų | 80 | 85.2 Ų | 85.2 | 42% | 0.419 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -112.1 | 157.4 | -174.9 | -80.2 | 152.9 | 0 | 0 | 0 | 112.2 | L1146 T1151 L1153 | L1146-L1149 HydrophobicContact CD2-CD1 3.79Å; L1146-L1149 PolarHBondContact O-N 2.94Å; L1149-T1151 PolarHBondContact O-N 3.29Å; L1149-L1153 HydrophobicContact CB-CD2 4.31Å; L1149-L1153 HydrophobicContact CD1-CD2 4.2Å; L1149-L1153 HydrophobicContact CD2-CD2 4.1Å; L1149-L1153 HydrophobicContact CG-CD2 4.44Å |
| 1150 | P | 51.2 | Low | 51.7 | Low | 95 Ų | 95 | 86.5 Ų | 86.5 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | trans | -59.8 | 137.6 | -177.8 | -24.2 | 34.5 | 0 | 0 | 0 | 112.7 | M1152 L1153 T1154 | P1150-M1152 VanDerWaalsContact C-N 3.25Å; P1150-M1152 PolarHBondContact O-N 2.92Å; P1150-L1153 WeakPolarHBondContact O-CB 3.48Å; P1150-L1153 PolarHBondContact O-N 3.03Å; P1150-T1154 PolarHBondContact O-N 2.81Å | ||
| 1151 | T | 53 | Low | 51.5 | Low | 108 Ų | 108 | 84.3 Ų | 84.3 | 66% | 0.663 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -48.6 | -40.4 | -171.7 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | L1149 L1153 T1154 D1155 | L1149-T1151 PolarHBondContact O-N 3.29Å; T1151-L1153 VanDerWaalsContact C-N 3.27Å; T1151-L1153 PolarHBondContact O-N 3.41Å; T1151-T1154 CarbonylContact O-C 3.58Å; T1151-T1154 WeakPolarHBondContact O-CA 3.31Å; T1151-T1154 WeakPolarHBondContact O-CB 3.31Å; T1151-T1154 PolarHBondContact O-N 3.04Å; T1151-T1154 VanDerWaalsContact O-N 3.09Å; T1151-D1155 PolarHBondContact O-N 3.01Å |
| 1152 | M | 47.8 | Very low | 51.7 | Low | 116 Ų | 116 | 87.8 Ų | 87.8 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.8 | -30.9 | 177.4 | -82 | -93.7 | 68.6 | 0 | 0 | 114.5 | P1150 D1155 N1156 | P1150-M1152 VanDerWaalsContact C-N 3.25Å; P1150-M1152 PolarHBondContact O-N 2.92Å; M1152-D1155 HydrophobicContact CE-CB 4.36Å; M1152-N1156 WeakPolarHBondContact O-CB 3.35Å; M1152-N1156 VanDerWaalsContact O-CG 3.27Å; M1152-N1156 PolarHBondContact O-N 3.11Å; M1152-N1156 PolarHBondContact O-ND2 2.73Å |
| 1153 | L | 46.3 | Very low | 52.2 | Low | 85 Ų | 85 | 90.1 Ų | 90.1 | 45% | 0.445 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.5 | -43.6 | 174.2 | -170.2 | 71.7 | 0 | 0 | 0 | 110 | L1149 P1150 T1151 N1156 V1157 | L1149-L1153 HydrophobicContact CB-CD2 4.31Å; L1149-L1153 HydrophobicContact CD1-CD2 4.2Å; L1149-L1153 HydrophobicContact CD2-CD2 4.1Å; L1149-L1153 HydrophobicContact CG-CD2 4.44Å; P1150-L1153 WeakPolarHBondContact O-CB 3.48Å; P1150-L1153 PolarHBondContact O-N 3.03Å; T1151-L1153 VanDerWaalsContact C-N 3.27Å; T1151-L1153 PolarHBondContact O-N 3.41Å; L1153-N1156 PolarHBondContact O-N 3.43Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.48Å; L1153-V1157 PolarHBondContact O-N 2.96Å |
| 1154 | T | 50.8 | Low | 52.3 | Low | 31 Ų | 31 | 91.3 Ų | 91.3 | 19% | 0.19 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 177.5 | -46.7 | 0 | 0 | 0 | 0 | 111.1 | L1146 P1150 T1151 N1156 V1157 Q1158 | L1146-T1154 HydrophobicContact CB-CG2 4.12Å; L1146-T1154 PolarHBondContact O-OG1 3.48Å; P1150-T1154 PolarHBondContact O-N 2.81Å; T1151-T1154 CarbonylContact O-C 3.58Å; T1151-T1154 WeakPolarHBondContact O-CA 3.31Å; T1151-T1154 WeakPolarHBondContact O-CB 3.31Å; T1151-T1154 PolarHBondContact O-N 3.04Å; T1151-T1154 VanDerWaalsContact O-N 3.09Å; T1154-N1156 VanDerWaalsContact C-N 3.33Å; T1154-N1156 PolarHBondContact O-N 2.86Å; T1154-V1157 PolarHBondContact O-N 3.42Å; T1154-Q1158 WeakPolarHBondContact O-CB 3.4Å; T1154-Q1158 PolarHBondContact O-N 3.19Å |
| 1155 | D | 57.7 | Low | 52.4 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 176.4 | -71.7 | -28.6 | 0 | 0 | 0 | 113.2 | T1151 M1152 R1159 | T1151-D1155 PolarHBondContact O-N 3.01Å; M1152-D1155 HydrophobicContact CE-CB 4.36Å; D1155-R1159 PolarHBondContact O-N 3.19Å |
| 1156 | N | 58 | Low | 52.6 | Low | 84 Ų | 84 | 89.1 Ų | 89.1 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.3 | -45.3 | 178.6 | -77.7 | -31.3 | 0 | 0 | 0 | 111.4 | M1152 L1153 T1154 Q1158 R1159 T1160 | M1152-N1156 WeakPolarHBondContact O-CB 3.35Å; M1152-N1156 VanDerWaalsContact O-CG 3.27Å; M1152-N1156 PolarHBondContact O-N 3.11Å; M1152-N1156 PolarHBondContact O-ND2 2.73Å; L1153-N1156 PolarHBondContact O-N 3.43Å; T1154-N1156 VanDerWaalsContact C-N 3.33Å; T1154-N1156 PolarHBondContact O-N 2.86Å; N1156-Q1158 VanDerWaalsContact C-N 3.32Å; N1156-Q1158 PolarHBondContact O-N 2.88Å; N1156-R1159 WeakPolarHBondContact O-CA 3.28Å; N1156-R1159 WeakPolarHBondContact O-CB 3.27Å; N1156-R1159 PolarHBondContact O-N 2.8Å; N1156-T1160 PolarHBondContact O-N 2.72Å; N1156-T1160 PolarHBondContact O-OG1 3.09Å |
| 1157 | V | 53.3 | Low | 52.9 | Low | 45 Ų | 45 | 89.5 Ų | 89.5 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L1146 L1153 T1154 R1159 T1160 L1161 | L1146-V1157 HydrophobicContact CD1-CB 4.07Å; L1146-V1157 HydrophobicContact CD1-CG1 3.67Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.48Å; L1153-V1157 PolarHBondContact O-N 2.96Å; T1154-V1157 PolarHBondContact O-N 3.42Å; V1157-R1159 PolarHBondContact O-N 2.8Å; V1157-T1160 PolarHBondContact O-N 3.01Å; V1157-L1161 HydrophobicContact CG1-CD1 3.62Å; V1157-L1161 HydrophobicContact CG1-CG 4.01Å; V1157-L1161 WeakPolarHBondContact O-CB 3.46Å; V1157-L1161 WeakPolarHBondContact O-CG 3.45Å; V1157-L1161 PolarHBondContact O-N 3.5Å |
| 1158 | Q | 56.4 | Low | 53.1 | Low | 70 Ų | 70 | 88.7 Ų | 88.7 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.8 | -7.4 | 175.5 | -145.4 | -160.1 | 20.9 | 0 | 0 | 113.7 | F1139 T1154 N1156 R1162 | F1139-Q1158 HydrophobicContact CD1-CG 4.35Å; F1139-Q1158 HydrophobicContact CE1-CG 3.68Å; T1154-Q1158 WeakPolarHBondContact O-CB 3.4Å; T1154-Q1158 PolarHBondContact O-N 3.19Å; N1156-Q1158 VanDerWaalsContact C-N 3.32Å; N1156-Q1158 PolarHBondContact O-N 2.88Å; Q1158-R1162 VanDerWaalsContact CG-NH2 3.28Å; Q1158-R1162 VanDerWaalsContact O-CZ 3.3Å; Q1158-R1162 PolarHBondContact O-NE 3.12Å; Q1158-R1162 PolarHBondContact O-NH2 3.35Å |
| 1159 | R | 62.5 | Low | 53.3 | Low | 161 Ų | 161 | 89 Ų | 89 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -83.6 | -56.7 | 162.5 | -96.8 | -175.2 | 177.8 | 77.9 | 1.1 | 110.8 | D1155 N1156 V1157 L1161 R1162 E1163 | D1155-R1159 PolarHBondContact O-N 3.19Å; N1156-R1159 WeakPolarHBondContact O-CA 3.28Å; N1156-R1159 WeakPolarHBondContact O-CB 3.27Å; N1156-R1159 PolarHBondContact O-N 2.8Å; V1157-R1159 PolarHBondContact O-N 2.8Å; R1159-L1161 VanDerWaalsContact C-N 3.28Å; R1159-L1161 PolarHBondContact O-N 3.45Å; R1159-R1162 CarbonylContact O-C 3.02Å; R1159-R1162 WeakPolarHBondContact O-CA 3.32Å; R1159-R1162 WeakPolarHBondContact O-CB 3.5Å; R1159-R1162 PolarHBondContact O-N 2.96Å; R1159-E1163 PolarHBondContact O-N 3.43Å |
| 1160 | T | 55.9 | Low | 53.6 | Low | 72 Ų | 72 | 87 Ų | 87 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | -176.6 | -54 | 0 | 0 | 0 | 0 | 112.4 | N1156 V1157 R1162 E1163 F1166 | N1156-T1160 PolarHBondContact O-N 2.72Å; N1156-T1160 PolarHBondContact O-OG1 3.09Å; V1157-T1160 PolarHBondContact O-N 3.01Å; T1160-R1162 PolarHBondContact O-N 2.84Å; T1160-E1163 PolarHBondContact O-N 2.91Å; T1160-F1166 WeakPolarHBondContact O-CB 3.43Å |
| 1161 | L | 48.5 | Very low | 53.3 | Low | 16 Ų | 16 | 84.3 Ų | 84.3 | 8% | 0.084 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -8.7 | 174.5 | -64.9 | 173.4 | 0 | 0 | 0 | 114.6 | Q1135 F1139 L1142 V1157 R1159 F1166 | Q1135-L1161 PolarHBondContact NE2-O 3.02Å; F1139-L1161 HydrophobicContact CD1-CD1 4.06Å; F1139-L1161 HydrophobicContact CE1-CB 3.55Å; F1139-L1161 HydrophobicContact CE1-CD1 3.67Å; F1139-L1161 HydrophobicContact CE1-CG 4.29Å; F1139-L1161 HydrophobicContact CE2-CB 4.12Å; F1139-L1161 HydrophobicContact CZ-CB 3.29Å; F1139-L1161 HydrophobicContact CZ-CD1 4.27Å; F1139-L1161 HydrophobicContact CZ-CG 4.43Å; F1139-L1161 WeakPolarHBondContact CZ-O 3.34Å; L1142-L1161 HydrophobicContact CD1-CD1 3.69Å; L1142-L1161 HydrophobicContact CD1-CD2 4.08Å; V1157-L1161 HydrophobicContact CG1-CD1 3.62Å; V1157-L1161 HydrophobicContact CG1-CG 4.01Å; V1157-L1161 WeakPolarHBondContact O-CB 3.46Å; V1157-L1161 WeakPolarHBondContact O-CG 3.45Å; V1157-L1161 PolarHBondContact O-N 3.5Å; R1159-L1161 VanDerWaalsContact C-N 3.28Å; R1159-L1161 PolarHBondContact O-N 3.45Å; L1161-F1166 HydrophobicContact CD2-CD1 4.06Å; L1161-F1166 HydrophobicContact CD2-CE1 3.35Å; L1161-F1166 HydrophobicContact CD2-CE2 4.09Å; L1161-F1166 HydrophobicContact CD2-CZ 3.37Å |
| 1162 | R | 56.9 | Low | 53.1 | Low | 150 Ų | 150 | 87.9 Ų | 87.9 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -3.2 | 177.1 | -98.9 | -177.6 | -65.3 | -154.9 | 4.1 | 113.6 | F1139 Q1158 R1159 T1160 | F1139-R1162 HydrophobicContact CE2-CG 4.36Å; F1139-R1162 HydrophobicContact CZ-CG 3.97Å; Q1158-R1162 VanDerWaalsContact CG-NH2 3.28Å; Q1158-R1162 VanDerWaalsContact O-CZ 3.3Å; Q1158-R1162 PolarHBondContact O-NE 3.12Å; Q1158-R1162 PolarHBondContact O-NH2 3.35Å; R1159-R1162 CarbonylContact O-C 3.02Å; R1159-R1162 WeakPolarHBondContact O-CA 3.32Å; R1159-R1162 WeakPolarHBondContact O-CB 3.5Å; R1159-R1162 PolarHBondContact O-N 2.96Å; T1160-R1162 PolarHBondContact O-N 2.84Å |
| 1163 | E | 60.1 | Low | 52.9 | Low | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -70.7 | 130.9 | 174.1 | -70.4 | 174.5 | -164.6 | 0 | 0 | 110.2 | R1159 T1160 N1165 F1166 | R1159-E1163 PolarHBondContact O-N 3.43Å; T1160-E1163 PolarHBondContact O-N 2.91Å; E1163-N1165 PolarHBondContact O-N 3.3Å; E1163-F1166 PolarHBondContact O-N 3.39Å |
| 1164 | K | 53.9 | Low | 52.7 | Low | 161 Ų | 161 | 83 Ų | 83 | 70% | 0.7 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -50 | -36.7 | -178.8 | -83.3 | -179.2 | 174.1 | 173.5 | 0 | 111.8 | E89 F1166 T1167 T1168 | E89-K1164 IonicContact OE1-NZ 2.68Å; E89-K1164 PolarHBondContact OE1-NZ 3.21Å; K1164-F1166 PolarHBondContact O-N 3Å; K1164-T1167 PolarHBondContact O-N 3.29Å; K1164-T1168 PolarHBondContact O-N 3.21Å; K1164-T1168 PolarHBondContact O-OG1 3.42Å |
| 1165 | N | 55.1 | Low | 52.1 | Low | 125 Ų | 125 | 84.2 Ų | 84.2 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.7 | -38.8 | 174.5 | -96.1 | -19.2 | 0 | 0 | 0 | 114.7 | E1163 T1168 Q1169 | E1163-N1165 PolarHBondContact O-N 3.3Å; N1165-T1168 PolarHBondContact O-N 3.08Å; N1165-Q1169 VanDerWaalsContact O-CG 3.32Å; N1165-Q1169 WeakPolarHBondContact O-CG 3.36Å; N1165-Q1169 PolarHBondContact O-N 2.91Å |
| 1166 | F | 56.5 | Low | 51.5 | Low | 62 Ų | 62 | 83 Ų | 83 | 27% | 0.272 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | -179.7 | -179.9 | -98.1 | 0 | 0 | 0 | 111 | L1138 T1160 L1161 E1163 K1164 T1168 Q1169 I1170 | L1138-F1166 HydrophobicContact CD2-CE1 4.49Å; L1138-F1166 HydrophobicContact CD2-CZ 4.49Å; T1160-F1166 WeakPolarHBondContact O-CB 3.43Å; L1161-F1166 HydrophobicContact CD2-CD1 4.06Å; L1161-F1166 HydrophobicContact CD2-CE1 3.35Å; L1161-F1166 HydrophobicContact CD2-CE2 4.09Å; L1161-F1166 HydrophobicContact CD2-CZ 3.37Å; E1163-F1166 PolarHBondContact O-N 3.39Å; K1164-F1166 PolarHBondContact O-N 3Å; F1166-T1168 VanDerWaalsContact C-N 3.33Å; F1166-T1168 PolarHBondContact O-N 2.9Å; F1166-Q1169 PolarHBondContact O-N 3.02Å; F1166-I1170 HydrophobicContact CD1-CD1 4.14Å; F1166-I1170 HydrophobicContact CE1-CD1 3.36Å; F1166-I1170 HydrophobicContact CE1-CG1 4.25Å; F1166-I1170 HydrophobicContact CE2-CD1 4.47Å; F1166-I1170 HydrophobicContact CZ-CD1 3.57Å; F1166-I1170 HydrophobicContact CZ-CG1 4.28Å; F1166-I1170 PolarHBondContact O-N 2.86Å |
| 1167 | T | 51.7 | Low | 50.4 | Low | 35 Ų | 35 | 84.9 Ų | 84.9 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 171 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | V1131 Q1135 K1164 Q1169 I1170 V1171 | V1131-T1167 HydrophobicContact CG1-CG2 4.04Å; Q1135-T1167 PolarHBondContact NE2-OG1 3Å; Q1135-T1167 PolarHBondContact OE1-OG1 2.88Å; K1164-T1167 PolarHBondContact O-N 3.29Å; T1167-Q1169 VanDerWaalsContact C-N 3.31Å; T1167-Q1169 PolarHBondContact O-N 3.36Å; T1167-I1170 PolarHBondContact O-N 3.18Å; T1167-V1171 HydrophobicContact CG2-CG2 4.09Å; T1167-V1171 WeakPolarHBondContact O-CB 3.41Å; T1167-V1171 WeakPolarHBondContact O-CG2 3.33Å; T1167-V1171 PolarHBondContact O-N 2.86Å |
| 1168 | T | 51 | Low | 49.8 | Very low | 73 Ų | 73 | 86 Ų | 86 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | K1164 N1165 F1166 R1172 | K1164-T1168 PolarHBondContact O-N 3.21Å; K1164-T1168 PolarHBondContact O-OG1 3.42Å; N1165-T1168 PolarHBondContact O-N 3.08Å; F1166-T1168 VanDerWaalsContact C-N 3.33Å; F1166-T1168 PolarHBondContact O-N 2.9Å; T1168-R1172 WeakPolarHBondContact O-CB 3.3Å; T1168-R1172 PolarHBondContact O-N 3.21Å |
| 1169 | Q | 51.8 | Low | 49.1 | Very low | 125 Ų | 125 | 85.9 Ų | 85.9 | 58% | 0.584 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.6 | -48.1 | 173.5 | -72.2 | -79.3 | 9.7 | 0 | 0 | 111.5 | N1165 F1166 T1167 V1171 R1172 S1173 | N1165-Q1169 VanDerWaalsContact O-CG 3.32Å; N1165-Q1169 WeakPolarHBondContact O-CG 3.36Å; N1165-Q1169 PolarHBondContact O-N 2.91Å; F1166-Q1169 PolarHBondContact O-N 3.02Å; T1167-Q1169 VanDerWaalsContact C-N 3.31Å; T1167-Q1169 PolarHBondContact O-N 3.36Å; Q1169-V1171 PolarHBondContact O-N 2.97Å; Q1169-R1172 PolarHBondContact O-N 3.28Å; Q1169-S1173 PolarHBondContact O-N 2.83Å; Q1169-S1173 PolarHBondContact O-OG 2.97Å |
| 1170 | I | 46.7 | Very low | 48.4 | Very low | 39 Ų | 39 | 81.3 Ų | 81.3 | 20% | 0.2 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.2 | -72 | -176.4 | 0 | 0 | 0 | 111.3 | L1138 F1166 T1167 R1172 S1173 A1174 | L1138-I1170 HydrophobicContact CD2-CD1 4.02Å; F1166-I1170 HydrophobicContact CD1-CD1 4.14Å; F1166-I1170 HydrophobicContact CE1-CD1 3.36Å; F1166-I1170 HydrophobicContact CE1-CG1 4.25Å; F1166-I1170 HydrophobicContact CE2-CD1 4.47Å; F1166-I1170 HydrophobicContact CZ-CD1 3.57Å; F1166-I1170 HydrophobicContact CZ-CG1 4.28Å; F1166-I1170 PolarHBondContact O-N 2.86Å; T1167-I1170 PolarHBondContact O-N 3.18Å; I1170-R1172 VanDerWaalsContact C-N 3.26Å; I1170-R1172 PolarHBondContact O-N 3.45Å; I1170-S1173 PolarHBondContact O-N 3.35Å; I1170-A1174 VanDerWaalsContact O-CB 3.31Å; I1170-A1174 WeakPolarHBondContact O-CB 3.45Å; I1170-A1174 PolarHBondContact O-N 3.17Å |
| 1171 | V | 46.4 | Very low | 47.7 | Very low | 39 Ų | 39 | 83.6 Ų | 83.6 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -52.7 | -47.1 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L1127 V1131 T1167 Q1169 S1175 | L1127-V1171 HydrophobicContact CD2-CG1 3.6Å; L1127-V1171 HydrophobicContact CG-CG1 4.03Å; V1131-V1171 HydrophobicContact CB-CG2 4.37Å; V1131-V1171 HydrophobicContact CG1-CG2 3.92Å; V1131-V1171 HydrophobicContact CG2-CG2 3.96Å; T1167-V1171 HydrophobicContact CG2-CG2 4.09Å; T1167-V1171 WeakPolarHBondContact O-CB 3.41Å; T1167-V1171 WeakPolarHBondContact O-CG2 3.33Å; T1167-V1171 PolarHBondContact O-N 2.86Å; Q1169-V1171 PolarHBondContact O-N 2.97Å; V1171-S1175 WeakPolarHBondContact O-CB 3.41Å; V1171-S1175 PolarHBondContact O-N 2.92Å |
| 1172 | R | 48.3 | Very low | 47.4 | Very low | 183 Ų | 183 | 85.5 Ų | 85.5 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | -178.4 | -155.2 | 178.3 | -155.9 | 91.4 | 0.2 | 112.6 | T1168 Q1169 I1170 G1176 | T1168-R1172 WeakPolarHBondContact O-CB 3.3Å; T1168-R1172 PolarHBondContact O-N 3.21Å; Q1169-R1172 PolarHBondContact O-N 3.28Å; I1170-R1172 VanDerWaalsContact C-N 3.26Å; I1170-R1172 PolarHBondContact O-N 3.45Å; R1172-G1176 PolarHBondContact O-N 3.38Å |
| 1173 | S | 43.8 | Very low | 46.8 | Very low | 76 Ų | 76 | 80.8 Ų | 80.8 | 53% | 0.531 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -46.3 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | Q1169 I1170 G1176 I1177 | Q1169-S1173 PolarHBondContact O-N 2.83Å; Q1169-S1173 PolarHBondContact O-OG 2.97Å; I1170-S1173 PolarHBondContact O-N 3.35Å; S1173-G1176 PolarHBondContact O-N 3.45Å; S1173-I1177 PolarHBondContact O-N 3.27Å |
| 1174 | A | 40.8 | Very low | 46.3 | Very low | 22 Ų | 22 | 77.4 Ų | 77.4 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1170 G1176 I1177 L1178 | I1170-A1174 VanDerWaalsContact O-CB 3.31Å; I1170-A1174 WeakPolarHBondContact O-CB 3.45Å; I1170-A1174 PolarHBondContact O-N 3.17Å; A1174-G1176 VanDerWaalsContact C-N 3.31Å; A1174-G1176 PolarHBondContact O-N 3.01Å; A1174-I1177 PolarHBondContact O-N 3.41Å; A1174-L1178 WeakPolarHBondContact O-CB 3.38Å; A1174-L1178 WeakPolarHBondContact O-CG 3.44Å; A1174-L1178 PolarHBondContact O-N 3.41Å |
| 1175 | S | 39.4 | Very low | 45.8 | Very low | 56 Ų | 56 | 72.4 Ų | 72.4 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 172.7 | 172 | 0 | 0 | 0 | 0 | 111.9 | V1171 S1179 | V1171-S1175 WeakPolarHBondContact O-CB 3.41Å; V1171-S1175 PolarHBondContact O-N 2.92Å; S1175-S1179 WeakPolarHBondContact O-CB 3.47Å; S1175-S1179 PolarHBondContact O-N 2.94Å |
| 1176 | G | 43.8 | Very low | 45.2 | Very low | 44 Ų | 44 | 70.7 Ų | 70.7 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1172 S1173 A1174 S1179 T1180 | R1172-G1176 PolarHBondContact O-N 3.38Å; S1173-G1176 PolarHBondContact O-N 3.45Å; A1174-G1176 VanDerWaalsContact C-N 3.31Å; A1174-G1176 PolarHBondContact O-N 3.01Å; G1176-S1179 PolarHBondContact O-N 3.13Å; G1176-T1180 PolarHBondContact O-N 2.98Å; G1176-T1180 PolarHBondContact O-OG1 3.08Å; G1176-T1180 VanDerWaalsContact O-OG1 3.09Å |
| 1177 | I | 36.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 72.2 Ų | 72.2 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.7 | -51 | -177.9 | -62.3 | 169.5 | 0 | 0 | 0 | 111.1 | S1173 A1174 S1179 T1180 E1181 | S1173-I1177 PolarHBondContact O-N 3.27Å; A1174-I1177 PolarHBondContact O-N 3.41Å; I1177-S1179 VanDerWaalsContact C-N 3.29Å; I1177-S1179 PolarHBondContact O-N 3.03Å; I1177-T1180 PolarHBondContact O-N 3.18Å; I1177-T1180 PolarHBondContact O-OG1 3.46Å; I1177-E1181 PolarHBondContact O-N 3.43Å |
| 1178 | L | 40.2 | Very low | 44.6 | Very low | 69 Ų | 69 | 73.5 Ų | 73.5 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 179 | -72.7 | 164.8 | 0 | 0 | 0 | 112.2 | V1130 A1174 T1180 E1181 L1182 | V1130-L1178 HydrophobicContact CG1-CD1 4.26Å; A1174-L1178 WeakPolarHBondContact O-CB 3.38Å; A1174-L1178 WeakPolarHBondContact O-CG 3.44Å; A1174-L1178 PolarHBondContact O-N 3.41Å; L1178-T1180 VanDerWaalsContact C-N 3.34Å; L1178-T1180 PolarHBondContact O-N 3.35Å; L1178-E1181 PolarHBondContact O-N 2.91Å; L1178-L1182 VanDerWaalsContact O-CB 3.29Å; L1178-L1182 WeakPolarHBondContact O-CB 3.38Å; L1178-L1182 WeakPolarHBondContact O-CG 3.16Å; L1178-L1182 PolarHBondContact O-N 3.33Å |
| 1179 | S | 42.2 | Very low | 44.3 | Very low | 67 Ų | 67 | 71.6 Ų | 71.6 | 47% | 0.469 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 112 | S1175 G1176 I1177 S1183 | S1175-S1179 WeakPolarHBondContact O-CB 3.47Å; S1175-S1179 PolarHBondContact O-N 2.94Å; G1176-S1179 PolarHBondContact O-N 3.13Å; I1177-S1179 VanDerWaalsContact C-N 3.29Å; I1177-S1179 PolarHBondContact O-N 3.03Å; S1179-S1183 WeakPolarHBondContact O-CB 3.2Å; S1179-S1183 PolarHBondContact O-N 3.3Å |
| 1180 | T | 46 | Very low | 43.9 | Very low | 65 Ų | 65 | 68.2 Ų | 68.2 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -53.2 | 174.3 | 2.9 | 0 | 0 | 0 | 0 | 111.4 | G1176 I1177 L1178 S1183 N1184 | G1176-T1180 PolarHBondContact O-N 2.98Å; G1176-T1180 PolarHBondContact O-OG1 3.08Å; G1176-T1180 VanDerWaalsContact O-OG1 3.09Å; I1177-T1180 PolarHBondContact O-N 3.18Å; I1177-T1180 PolarHBondContact O-OG1 3.46Å; L1178-T1180 VanDerWaalsContact C-N 3.34Å; L1178-T1180 PolarHBondContact O-N 3.35Å; T1180-S1183 WeakPolarHBondContact O-CB 3.16Å; T1180-S1183 PolarHBondContact O-N 3.1Å; T1180-S1183 VanDerWaalsContact O-N 3.14Å; T1180-N1184 PolarHBondContact O-N 3.34Å; T1180-N1184 PolarHBondContact O-ND2 3.46Å; T1180-N1184 PolarHBondContact O-OD1 3.09Å |
| 1181 | E | 42.5 | Very low | 44.1 | Very low | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -76.1 | -31.5 | -169.2 | -142.9 | 70.9 | 149.4 | 0 | 0 | 113.4 | I1177 L1178 N1184 A1185 | I1177-E1181 PolarHBondContact O-N 3.43Å; L1178-E1181 PolarHBondContact O-N 2.91Å; E1181-N1184 PolarHBondContact O-N 3.34Å; E1181-N1184 PolarHBondContact OE2-ND2 3.41Å; E1181-A1185 PolarHBondContact O-N 2.88Å |
| 1182 | L | 42.4 | Very low | 44.3 | Very low | 56 Ų | 56 | 71.1 Ų | 71.1 | 29% | 0.293 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.6 | -33.8 | 167.9 | -68.2 | 168.7 | 0 | 0 | 0 | 111.9 | I1052 F1123 L1178 N1184 Y1186 | I1052-L1182 HydrophobicContact CD1-CD2 3.78Å; F1123-L1182 HydrophobicContact CE1-CD1 3.68Å; F1123-L1182 HydrophobicContact CZ-CD1 3.93Å; L1178-L1182 VanDerWaalsContact O-CB 3.29Å; L1178-L1182 WeakPolarHBondContact O-CB 3.38Å; L1178-L1182 WeakPolarHBondContact O-CG 3.16Å; L1178-L1182 PolarHBondContact O-N 3.33Å; L1182-N1184 VanDerWaalsContact C-N 3.31Å; L1182-Y1186 WeakPolarHBondContact O-CB 3.34Å; L1182-Y1186 PolarHBondContact O-N 2.87Å |
| 1183 | S | 43.8 | Very low | 44.2 | Very low | 50 Ų | 50 | 66.9 Ų | 66.9 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 171.7 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | S1179 T1180 R1187 | S1179-S1183 WeakPolarHBondContact O-CB 3.2Å; S1179-S1183 PolarHBondContact O-N 3.3Å; T1180-S1183 WeakPolarHBondContact O-CB 3.16Å; T1180-S1183 PolarHBondContact O-N 3.1Å; T1180-S1183 VanDerWaalsContact O-N 3.14Å; S1183-R1187 WeakPolarHBondContact O-CB 3.42Å; S1183-R1187 WeakPolarHBondContact O-CD 3.43Å; S1183-R1187 WeakPolarHBondContact O-CG 3.46Å; S1183-R1187 PolarHBondContact O-N 3.45Å |
| 1184 | N | 49 | Very low | 44.2 | Very low | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -54.6 | 175.2 | -67.8 | -22.4 | 0 | 0 | 0 | 110.9 | Q1000 T1180 E1181 L1182 Y1186 R1187 D1188 | Q1000-N1184 VanDerWaalsContact NE2-CG 3.32Å; T1180-N1184 PolarHBondContact O-N 3.34Å; T1180-N1184 PolarHBondContact O-ND2 3.46Å; T1180-N1184 PolarHBondContact O-OD1 3.09Å; E1181-N1184 PolarHBondContact O-N 3.34Å; E1181-N1184 PolarHBondContact OE2-ND2 3.41Å; L1182-N1184 VanDerWaalsContact C-N 3.31Å; N1184-Y1186 VanDerWaalsContact C-N 3.3Å; N1184-Y1186 PolarHBondContact O-N 2.86Å; N1184-R1187 WeakPolarHBondContact O-CB 3.32Å; N1184-R1187 PolarHBondContact O-N 2.99Å; N1184-D1188 PolarHBondContact O-N 3.3Å |
| 1185 | A | 44.5 | Very low | 44.5 | Very low | 56 Ų | 56 | 67 Ų | 67 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1181 D1188 S1189 | E1181-A1185 PolarHBondContact O-N 2.88Å; A1185-D1188 WeakPolarHBondContact O-CB 3.33Å; A1185-D1188 PolarHBondContact O-N 3.15Å; A1185-S1189 PolarHBondContact O-N 3.42Å; A1185-S1189 PolarHBondContact O-OG 3.01Å |
| 1186 | Y | 42.6 | Very low | 45.1 | Very low | 88 Ų | 88 | 67.2 Ų | 67.2 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 174.2 | 175.8 | -105.1 | 0 | 0 | 0 | 112 | L1115 L1182 N1184 D1188 S1189 L1190 | L1115-Y1186 WeakPolarHBondContact CD1-OH 3.45Å; L1115-Y1186 HydrophobicContact CD2-CE2 4.18Å; L1115-Y1186 WeakPolarHBondContact CD2-OH 3.27Å; L1182-Y1186 WeakPolarHBondContact O-CB 3.34Å; L1182-Y1186 PolarHBondContact O-N 2.87Å; N1184-Y1186 VanDerWaalsContact C-N 3.3Å; N1184-Y1186 PolarHBondContact O-N 2.86Å; Y1186-D1188 VanDerWaalsContact C-N 3.26Å; Y1186-D1188 PolarHBondContact O-N 3.37Å; Y1186-S1189 PolarHBondContact O-N 3.47Å; Y1186-L1190 HydrophobicContact CE1-CD1 3.74Å; Y1186-L1190 WeakPolarHBondContact O-CB 3.24Å; Y1186-L1190 PolarHBondContact O-N 3.19Å |
| 1187 | R | 47.1 | Very low | 45 | Very low | 94 Ų | 94 | 67.2 Ų | 67.2 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 173.2 | -78.4 | 165.7 | 173 | -86.9 | -2 | 111.4 | S1183 N1184 L1190 N1191 | S1183-R1187 WeakPolarHBondContact O-CB 3.42Å; S1183-R1187 WeakPolarHBondContact O-CD 3.43Å; S1183-R1187 WeakPolarHBondContact O-CG 3.46Å; S1183-R1187 PolarHBondContact O-N 3.45Å; N1184-R1187 WeakPolarHBondContact O-CB 3.32Å; N1184-R1187 PolarHBondContact O-N 2.99Å; R1187-L1190 PolarHBondContact O-N 3.24Å; R1187-N1191 WeakPolarHBondContact O-CB 3.44Å; R1187-N1191 PolarHBondContact O-N 3.13Å |
| 1188 | D | 47.5 | Very low | 45.4 | Very low | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 178.2 | -124.9 | 43 | 0 | 0 | 0 | 111.7 | N1184 A1185 Y1186 L1190 N1191 K1192 | N1184-D1188 PolarHBondContact O-N 3.3Å; A1185-D1188 WeakPolarHBondContact O-CB 3.33Å; A1185-D1188 PolarHBondContact O-N 3.15Å; Y1186-D1188 VanDerWaalsContact C-N 3.26Å; Y1186-D1188 PolarHBondContact O-N 3.37Å; D1188-L1190 PolarHBondContact O-N 2.84Å; D1188-N1191 PolarHBondContact O-N 3.06Å; D1188-K1192 VanDerWaalsContact O-CB 3.23Å; D1188-K1192 WeakPolarHBondContact O-CB 3.41Å; D1188-K1192 WeakPolarHBondContact O-CG 3.43Å; D1188-K1192 PolarHBondContact O-N 3.13Å; D1188-K1192 IonicContact OD1-NZ 2.79Å; D1188-K1192 PolarHBondContact OD1-NZ 3.41Å; D1188-K1192 IonicContact OD2-NZ 2.7Å; D1188-K1192 PolarHBondContact OD2-NZ 2.83Å |
| 1189 | S | 43.9 | Very low | 45.8 | Very low | 34 Ų | 34 | 62.4 Ų | 62.4 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | A1185 Y1186 I1193 F1194 | A1185-S1189 PolarHBondContact O-N 3.42Å; A1185-S1189 PolarHBondContact O-OG 3.01Å; Y1186-S1189 PolarHBondContact O-N 3.47Å; S1189-I1193 WeakPolarHBondContact O-CB 3.41Å; S1189-I1193 PolarHBondContact O-N 3.01Å; S1189-F1194 PolarHBondContact O-N 2.98Å |
| 1190 | L | 44.2 | Very low | 46.2 | Very low | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.277 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -63.6 | -47.9 | 177.1 | -140.3 | 174 | 0 | 0 | 0 | 110.6 | Y1186 R1187 D1188 F1194 V1195 | Y1186-L1190 HydrophobicContact CE1-CD1 3.74Å; Y1186-L1190 WeakPolarHBondContact O-CB 3.24Å; Y1186-L1190 PolarHBondContact O-N 3.19Å; R1187-L1190 PolarHBondContact O-N 3.24Å; D1188-L1190 PolarHBondContact O-N 2.84Å; L1190-F1194 HydrophobicContact CD2-CB 4.23Å; L1190-F1194 HydrophobicContact CD2-CD1 3.99Å; L1190-F1194 HydrophobicContact CD2-CG 4.48Å; L1190-F1194 PolarHBondContact O-N 3.48Å; L1190-V1195 HydrophobicContact CD2-CG2 3.86Å; L1190-V1195 WeakPolarHBondContact O-CG2 3.46Å; L1190-V1195 PolarHBondContact O-N 2.8Å |
| 1191 | N | 51.3 | Low | 46 | Very low | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -69.6 | -41.4 | 179.3 | -73.3 | -6.8 | 0 | 0 | 0 | 113.1 | R1187 D1188 P1196 | R1187-N1191 WeakPolarHBondContact O-CB 3.44Å; R1187-N1191 PolarHBondContact O-N 3.13Å; D1188-N1191 PolarHBondContact O-N 3.06Å; N1191-P1196 VanDerWaalsContact O-CD 3.22Å; N1191-P1196 WeakPolarHBondContact O-CD 3.37Å |
| 1192 | K | 50.4 | Low | 46.2 | Very low | 100 Ų | 100 | 63 Ų | 63 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -90.7 | -23.4 | -169.7 | -69.3 | 160.4 | 177.2 | 157.8 | 0 | 114 | E997 D1188 | E997-K1192 WeakPolarHBondContact OE1-CE 3.25Å; E997-K1192 IonicContact OE1-NZ 2.65Å; E997-K1192 PolarHBondContact OE1-NZ 2.92Å; E997-K1192 IonicContact OE2-NZ 3.93Å; D1188-K1192 VanDerWaalsContact O-CB 3.23Å; D1188-K1192 WeakPolarHBondContact O-CB 3.41Å; D1188-K1192 WeakPolarHBondContact O-CG 3.43Å; D1188-K1192 PolarHBondContact O-N 3.13Å; D1188-K1192 IonicContact OD1-NZ 2.79Å; D1188-K1192 PolarHBondContact OD1-NZ 3.41Å; D1188-K1192 IonicContact OD2-NZ 2.7Å; D1188-K1192 PolarHBondContact OD2-NZ 2.83Å |
| 1193 | I | 46 | Very low | 46.7 | Very low | 94 Ų | 94 | 65.8 Ų | 65.8 | 48% | 0.482 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -118.4 | -54.3 | -177.7 | -51.6 | 175.9 | 0 | 0 | 0 | 111.2 | S1189 A1197 | S1189-I1193 WeakPolarHBondContact O-CB 3.41Å; S1189-I1193 PolarHBondContact O-N 3.01Å; I1193-A1197 WeakPolarHBondContact O-CB 3.22Å; I1193-A1197 PolarHBondContact O-N 2.93Å |
| 1194 | F | 43 | Very low | 46.8 | Very low | 58 Ų | 58 | 69.4 Ų | 69.4 | 25% | 0.254 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -76.9 | -47.3 | -167.6 | -168.2 | -91 | 0 | 0 | 0 | 113.4 | F1063 S1189 L1190 A1197 L1198 | F1063-F1194 HydrophobicContact CB-CE2 4.16Å; F1063-F1194 AromaticContact CD1-CE2 3.8Å; F1063-F1194 HydrophobicContact CD1-CE2 3.8Å; F1063-F1194 AromaticContact CD1-CZ 3.87Å; F1063-F1194 HydrophobicContact CD1-CZ 3.87Å; F1063-F1194 HydrophobicContact CD2-CE2 4.14Å; F1063-F1194 AromaticContact CD2-CZ 3.74Å; F1063-F1194 HydrophobicContact CD2-CZ 3.74Å; F1063-F1194 HydrophobicContact CE1-CE2 4.25Å; F1063-F1194 AromaticContact CE1-CZ 3.91Å; F1063-F1194 HydrophobicContact CE1-CZ 3.91Å; F1063-F1194 AromaticContact CE2-CZ 3.79Å; F1063-F1194 HydrophobicContact CE2-CZ 3.79Å; F1063-F1194 AromaticContact CG-CE2 3.73Å; F1063-F1194 HydrophobicContact CG-CE2 3.73Å; F1063-F1194 AromaticContact CG-CZ 3.79Å; F1063-F1194 HydrophobicContact CG-CZ 3.79Å; F1063-F1194 AromaticContact CZ-CZ 3.88Å; F1063-F1194 HydrophobicContact CZ-CZ 3.88Å; S1189-F1194 PolarHBondContact O-N 2.98Å; L1190-F1194 HydrophobicContact CD2-CB 4.23Å; L1190-F1194 HydrophobicContact CD2-CD1 3.99Å; L1190-F1194 HydrophobicContact CD2-CG 4.48Å; L1190-F1194 PolarHBondContact O-N 3.48Å; F1194-A1197 PolarHBondContact O-N 2.91Å; F1194-L1198 HydrophobicContact CE1-CD2 4.32Å; F1194-L1198 WeakPolarHBondContact O-CB 3.44Å; F1194-L1198 PolarHBondContact O-N 3Å |
| 1195 | V | 48.2 | Very low | 46.7 | Very low | 44 Ų | 44 | 70.2 Ų | 70.2 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 178.3 | 170 | 0 | 0 | 0 | 0 | 112.3 | L1190 A1197 L1198 E1199 | L1190-V1195 HydrophobicContact CD2-CG2 3.86Å; L1190-V1195 WeakPolarHBondContact O-CG2 3.46Å; L1190-V1195 PolarHBondContact O-N 2.8Å; V1195-A1197 VanDerWaalsContact C-N 3.34Å; V1195-A1197 PolarHBondContact O-N 2.9Å; V1195-L1198 PolarHBondContact O-N 2.96Å; V1195-E1199 PolarHBondContact O-N 2.84Å |
| 1196 | P | 51 | Low | 46.9 | Very low | 60 Ų | 60 | 71.8 Ų | 71.8 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.5 | -24.6 | 35.9 | 0 | 0 | 0 | 113.4 | N1191 K1200 | N1191-P1196 VanDerWaalsContact O-CD 3.22Å; N1191-P1196 WeakPolarHBondContact O-CD 3.37Å; P1196-K1200 VanDerWaalsContact O-CB 3.31Å; P1196-K1200 WeakPolarHBondContact O-CB 3.34Å; P1196-K1200 PolarHBondContact O-N 2.9Å |
| 1197 | A | 42.1 | Very low | 47.4 | Very low | 43 Ų | 43 | 71.2 Ų | 71.2 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1193 F1194 V1195 K1200 S1201 | I1193-A1197 WeakPolarHBondContact O-CB 3.22Å; I1193-A1197 PolarHBondContact O-N 2.93Å; F1194-A1197 PolarHBondContact O-N 2.91Å; V1195-A1197 VanDerWaalsContact C-N 3.34Å; V1195-A1197 PolarHBondContact O-N 2.9Å; A1197-K1200 PolarHBondContact O-N 3.33Å; A1197-S1201 PolarHBondContact O-N 3.2Å; A1197-S1201 PolarHBondContact O-OG 3.26Å |
| 1198 | L | 44.9 | Very low | 47.4 | Very low | 55 Ų | 55 | 70.4 Ų | 70.4 | 29% | 0.288 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.7 | -177.4 | 60.9 | 0 | 0 | 0 | 111.7 | F1063 F1194 V1195 K1200 S1201 I1202 | F1063-L1198 HydrophobicContact CE1-CD1 4.25Å; F1063-L1198 HydrophobicContact CZ-CD1 3.91Å; F1194-L1198 HydrophobicContact CE1-CD2 4.32Å; F1194-L1198 WeakPolarHBondContact O-CB 3.44Å; F1194-L1198 PolarHBondContact O-N 3Å; V1195-L1198 PolarHBondContact O-N 2.96Å; L1198-K1200 VanDerWaalsContact C-N 3.28Å; L1198-K1200 PolarHBondContact O-N 2.57Å; L1198-S1201 PolarHBondContact O-N 2.85Å; L1198-I1202 HydrophobicContact CD1-CD1 3.82Å; L1198-I1202 HydrophobicContact CD1-CG1 4.17Å; L1198-I1202 HydrophobicContact CG-CD1 3.8Å; L1198-I1202 HydrophobicContact CG-CG1 4.48Å; L1198-I1202 WeakPolarHBondContact O-CB 2.92Å; L1198-I1202 VanDerWaalsContact O-CG1 3.32Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.48Å; L1198-I1202 PolarHBondContact O-N 3.14Å |
| 1199 | E | 49.2 | Very low | 47.3 | Very low | 38 Ų | 38 | 71.7 Ų | 71.7 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.6 | -45.4 | 172.5 | -83.5 | -168.2 | -136.2 | 0 | 0 | 111.7 | K990 V1195 K1203 | K990-E1199 IonicContact NZ-OE1 2.75Å; K990-E1199 PolarHBondContact NZ-OE1 2.86Å; K990-E1199 IonicContact NZ-OE2 2.69Å; V1195-E1199 PolarHBondContact O-N 2.84Å; E1199-K1203 VanDerWaalsContact O-CB 3.28Å; E1199-K1203 WeakPolarHBondContact O-CB 3.47Å; E1199-K1203 WeakPolarHBondContact O-CD 3.41Å; E1199-K1203 WeakPolarHBondContact O-CG 3.45Å; E1199-K1203 PolarHBondContact O-N 3.02Å; E1199-K1203 IonicContact OE2-NZ 3.92Å; E1199-K1203 PolarHBondContact OE2-NZ 2.91Å |
| 1200 | K | 50.4 | Low | 48 | Very low | 162 Ų | 162 | 72.6 Ų | 72.6 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | -178.6 | -171.9 | 177.9 | -179.7 | -177 | 0 | 112 | P1196 A1197 L1198 K1204 | P1196-K1200 VanDerWaalsContact O-CB 3.31Å; P1196-K1200 WeakPolarHBondContact O-CB 3.34Å; P1196-K1200 PolarHBondContact O-N 2.9Å; A1197-K1200 PolarHBondContact O-N 3.33Å; L1198-K1200 VanDerWaalsContact C-N 3.28Å; L1198-K1200 PolarHBondContact O-N 2.57Å; K1200-K1204 PolarHBondContact O-N 2.87Å |
| 1201 | S | 42.5 | Very low | 48.3 | Very low | 42 Ų | 42 | 74.2 Ų | 74.2 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 112 | Y1067 A1197 L1198 K1204 L1205 | Y1067-S1201 PolarHBondContact OH-O 2.89Å; A1197-S1201 PolarHBondContact O-N 3.2Å; A1197-S1201 PolarHBondContact O-OG 3.26Å; L1198-S1201 PolarHBondContact O-N 2.85Å; S1201-K1204 PolarHBondContact O-N 2.91Å; S1201-L1205 PolarHBondContact O-N 3.16Å |
| 1202 | I | 46.3 | Very low | 48 | Very low | 60 Ų | 60 | 75.3 Ų | 75.3 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.1 | -71.4 | 173.4 | 0 | 0 | 0 | 111 | L1198 K1204 L1205 F1206 | L1198-I1202 HydrophobicContact CD1-CD1 3.82Å; L1198-I1202 HydrophobicContact CD1-CG1 4.17Å; L1198-I1202 HydrophobicContact CG-CD1 3.8Å; L1198-I1202 HydrophobicContact CG-CG1 4.48Å; L1198-I1202 WeakPolarHBondContact O-CB 2.92Å; L1198-I1202 VanDerWaalsContact O-CG1 3.32Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.48Å; L1198-I1202 PolarHBondContact O-N 3.14Å; I1202-K1204 VanDerWaalsContact C-N 3.31Å; I1202-K1204 PolarHBondContact O-N 2.78Å; I1202-L1205 WeakPolarHBondContact O-CB 3.48Å; I1202-L1205 PolarHBondContact O-N 2.77Å; I1202-F1206 HydrophobicContact CG2-CD2 3.67Å; I1202-F1206 HydrophobicContact CG2-CE2 3.32Å; I1202-F1206 HydrophobicContact CG2-CZ 4.24Å; I1202-F1206 VanDerWaalsContact O-CD2 3.25Å; I1202-F1206 WeakPolarHBondContact O-CD2 3.29Å; I1202-F1206 PolarHBondContact O-N 2.91Å |
| 1203 | K | 52.9 | Low | 47.9 | Very low | 114 Ų | 114 | 76.2 Ų | 76.2 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 174.5 | -77 | 163.7 | 179.7 | 162.7 | 0 | 112.1 | E1199 T1207 | E1199-K1203 VanDerWaalsContact O-CB 3.28Å; E1199-K1203 WeakPolarHBondContact O-CB 3.47Å; E1199-K1203 WeakPolarHBondContact O-CD 3.41Å; E1199-K1203 WeakPolarHBondContact O-CG 3.45Å; E1199-K1203 PolarHBondContact O-N 3.02Å; E1199-K1203 IonicContact OE2-NZ 3.92Å; E1199-K1203 PolarHBondContact OE2-NZ 2.91Å; K1203-T1207 PolarHBondContact O-N 2.87Å; K1203-T1207 VanDerWaalsContact O-N 3.16Å; K1203-T1207 PolarHBondContact O-OG1 2.82Å; K1203-T1207 VanDerWaalsContact O-OG1 3.12Å |
| 1204 | K | 46.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 75.1 Ų | 75.1 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.3 | -46.7 | 172.2 | -176 | 177.3 | 175.7 | -173.6 | 0 | 111.4 | K1200 S1201 I1202 F1206 T1207 D1208 | K1200-K1204 PolarHBondContact O-N 2.87Å; S1201-K1204 PolarHBondContact O-N 2.91Å; I1202-K1204 VanDerWaalsContact C-N 3.31Å; I1202-K1204 PolarHBondContact O-N 2.78Å; K1204-F1206 VanDerWaalsContact C-N 3.32Å; K1204-F1206 PolarHBondContact O-N 2.9Å; K1204-T1207 WeakPolarHBondContact O-CB 3.44Å; K1204-T1207 PolarHBondContact O-N 2.67Å; K1204-T1207 VanDerWaalsContact O-N 3.14Å; K1204-D1208 WeakPolarHBondContact CE-OD2 3.33Å; K1204-D1208 WeakPolarHBondContact CG-OD2 3.25Å; K1204-D1208 PolarHBondContact O-N 3.02Å |
| 1205 | L | 45.9 | Very low | 48.5 | Very low | 51 Ų | 51 | 76.6 Ų | 76.6 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.3 | -44.2 | 178.4 | -172.2 | 68.7 | 0 | 0 | 0 | 112 | M1074 S1201 I1202 D1208 L1209 | M1074-L1205 HydrophobicContact SD-CD1 3.95Å; S1201-L1205 PolarHBondContact O-N 3.16Å; I1202-L1205 WeakPolarHBondContact O-CB 3.48Å; I1202-L1205 PolarHBondContact O-N 2.77Å; L1205-D1208 PolarHBondContact O-N 2.7Å; L1205-L1209 WeakPolarHBondContact O-CB 3.46Å; L1205-L1209 PolarHBondContact O-N 2.66Å |
| 1206 | F | 48.1 | Very low | 48.4 | Very low | 90 Ų | 90 | 76.2 Ų | 76.2 | 40% | 0.395 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 175.1 | -75.9 | -55.6 | 0 | 0 | 0 | 112.9 | F979 I1202 K1204 D1208 L1209 N1210 | F979-F1206 HydrophobicContact CD1-CE1 4.06Å; F979-F1206 AromaticContact CD1-CZ 3.71Å; F979-F1206 HydrophobicContact CD1-CZ 3.71Å; F979-F1206 AromaticContact CE1-CE1 3.87Å; F979-F1206 HydrophobicContact CE1-CE1 3.87Å; F979-F1206 AromaticContact CE1-CZ 3.57Å; F979-F1206 HydrophobicContact CE1-CZ 3.57Å; F979-F1206 HydrophobicContact CZ-CE1 4.2Å; F979-F1206 HydrophobicContact CZ-CZ 4.33Å; I1202-F1206 HydrophobicContact CG2-CD2 3.67Å; I1202-F1206 HydrophobicContact CG2-CE2 3.32Å; I1202-F1206 HydrophobicContact CG2-CZ 4.24Å; I1202-F1206 VanDerWaalsContact O-CD2 3.25Å; I1202-F1206 WeakPolarHBondContact O-CD2 3.29Å; I1202-F1206 PolarHBondContact O-N 2.91Å; K1204-F1206 VanDerWaalsContact C-N 3.32Å; K1204-F1206 PolarHBondContact O-N 2.9Å; F1206-D1208 VanDerWaalsContact C-N 3.34Å; F1206-D1208 PolarHBondContact O-N 2.87Å; F1206-L1209 PolarHBondContact O-N 2.85Å; F1206-N1210 VanDerWaalsContact O-CB 3.23Å; F1206-N1210 WeakPolarHBondContact O-CB 3.47Å; F1206-N1210 PolarHBondContact O-N 2.83Å |
| 1207 | T | 54.1 | Low | 48.5 | Very low | 76 Ų | 76 | 75.1 Ų | 75.1 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | K1203 K1204 N1210 N1211 | K1203-T1207 PolarHBondContact O-N 2.87Å; K1203-T1207 VanDerWaalsContact O-N 3.16Å; K1203-T1207 PolarHBondContact O-OG1 2.82Å; K1203-T1207 VanDerWaalsContact O-OG1 3.12Å; K1204-T1207 WeakPolarHBondContact O-CB 3.44Å; K1204-T1207 PolarHBondContact O-N 2.67Å; K1204-T1207 VanDerWaalsContact O-N 3.14Å; T1207-N1210 PolarHBondContact O-N 3.08Å; T1207-N1211 WeakPolarHBondContact O-CB 3.35Å; T1207-N1211 PolarHBondContact O-N 2.92Å; T1207-N1211 PolarHBondContact O-ND2 2.66Å; T1207-N1211 VanDerWaalsContact O-ND2 3.13Å |
| 1208 | D | 45.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 77.8 Ų | 77.8 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | -179.1 | -66 | -20.4 | 0 | 0 | 0 | 111 | K1204 L1205 F1206 L1212 | K1204-D1208 WeakPolarHBondContact CE-OD2 3.33Å; K1204-D1208 WeakPolarHBondContact CG-OD2 3.25Å; K1204-D1208 PolarHBondContact O-N 3.02Å; L1205-D1208 PolarHBondContact O-N 2.7Å; F1206-D1208 VanDerWaalsContact C-N 3.34Å; F1206-D1208 PolarHBondContact O-N 2.87Å; D1208-L1212 WeakPolarHBondContact O-CB 3.37Å; D1208-L1212 PolarHBondContact O-N 2.9Å |
| 1209 | L | 47.1 | Very low | 49.1 | Very low | 89 Ų | 89 | 79.3 Ų | 79.3 | 47% | 0.466 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 173.3 | -102.5 | 167.7 | 0 | 0 | 0 | 113.4 | L1205 F1206 L1212 F1213 | L1205-L1209 WeakPolarHBondContact O-CB 3.46Å; L1205-L1209 PolarHBondContact O-N 2.66Å; F1206-L1209 PolarHBondContact O-N 2.85Å; L1209-L1212 WeakPolarHBondContact O-CB 3.29Å; L1209-L1212 PolarHBondContact O-N 2.89Å; L1209-F1213 WeakPolarHBondContact O-CB 3.49Å; L1209-F1213 PolarHBondContact O-N 2.97Å |
| 1210 | N | 58.9 | Low | 48.9 | Very low | 54 Ų | 54 | 82.7 Ų | 82.7 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 178.3 | 171.3 | 50.7 | 0 | 0 | 0 | 111.6 | F1206 T1207 L1212 F1213 Q1214 L1257 | F1206-N1210 VanDerWaalsContact O-CB 3.23Å; F1206-N1210 WeakPolarHBondContact O-CB 3.47Å; F1206-N1210 PolarHBondContact O-N 2.83Å; T1207-N1210 PolarHBondContact O-N 3.08Å; N1210-L1212 PolarHBondContact O-N 2.97Å; N1210-F1213 PolarHBondContact O-N 2.9Å; N1210-Q1214 PolarHBondContact ND2-NE2 2.91Å; N1210-Q1214 WeakPolarHBondContact O-CB 3.39Å; N1210-Q1214 WeakPolarHBondContact O-CG 3.36Å; N1210-Q1214 PolarHBondContact O-N 3.31Å; N1210-Q1214 PolarHBondContact OD1-NE2 2.79Å; N1210-Q1214 VanDerWaalsContact OD1-NE2 3.1Å; N1210-L1257 WeakPolarHBondContact ND2-CD1 3.49Å |
| 1211 | N | 49.8 | Very low | 49 | Very low | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.1 | -42.1 | 172.6 | -73.5 | -28.1 | 0 | 0 | 0 | 111 | T1207 L1215 | T1207-N1211 WeakPolarHBondContact O-CB 3.35Å; T1207-N1211 PolarHBondContact O-N 2.92Å; T1207-N1211 PolarHBondContact O-ND2 2.66Å; T1207-N1211 VanDerWaalsContact O-ND2 3.13Å; N1211-L1215 WeakPolarHBondContact O-CB 3.14Å; N1211-L1215 PolarHBondContact O-N 2.83Å |
| 1212 | L | 44.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 79.6 Ų | 79.6 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 179.2 | -174.3 | 67.9 | 0 | 0 | 0 | 112.8 | L1078 D1208 L1209 N1210 L1215 G1216 | L1078-L1212 HydrophobicContact CD1-CD1 3.68Å; L1078-L1212 HydrophobicContact CD1-CD2 4Å; L1078-L1212 HydrophobicContact CD1-CG 4.14Å; L1078-L1212 HydrophobicContact CD2-CD1 3.46Å; L1078-L1212 VanDerWaalsContact CD2-CD1 3.46Å; L1078-L1212 HydrophobicContact CD2-CD2 3.76Å; L1078-L1212 HydrophobicContact CD2-CG 4.21Å; L1078-L1212 HydrophobicContact CG-CD1 4.18Å; L1078-L1212 HydrophobicContact CG-CD2 4.34Å; D1208-L1212 WeakPolarHBondContact O-CB 3.37Å; D1208-L1212 PolarHBondContact O-N 2.9Å; L1209-L1212 WeakPolarHBondContact O-CB 3.29Å; L1209-L1212 PolarHBondContact O-N 2.89Å; N1210-L1212 PolarHBondContact O-N 2.97Å; L1212-L1215 PolarHBondContact O-N 3.31Å; L1212-G1216 PolarHBondContact O-N 3.42Å |
| 1213 | F | 48.4 | Very low | 49.6 | Very low | 118 Ų | 118 | 81.1 Ų | 81.1 | 52% | 0.518 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.1 | -176.3 | -95.3 | 0 | 0 | 0 | 111.6 | L1209 N1210 T1217 | L1209-F1213 WeakPolarHBondContact O-CB 3.49Å; L1209-F1213 PolarHBondContact O-N 2.97Å; N1210-F1213 PolarHBondContact O-N 2.9Å; F1213-T1217 VanDerWaalsContact O-CB 3.23Å; F1213-T1217 WeakPolarHBondContact O-CB 3.45Å; F1213-T1217 PolarHBondContact O-N 2.72Å; F1213-T1217 PolarHBondContact O-OG1 2.88Å |
| 1214 | Q | 49.8 | Very low | 49.4 | Very low | 72 Ų | 72 | 77.1 Ų | 77.1 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 172.6 | -71.8 | -178 | 34.9 | 0 | 0 | 111.5 | N1210 T1217 Q1218 | N1210-Q1214 PolarHBondContact ND2-NE2 2.91Å; N1210-Q1214 WeakPolarHBondContact O-CB 3.39Å; N1210-Q1214 WeakPolarHBondContact O-CG 3.36Å; N1210-Q1214 PolarHBondContact O-N 3.31Å; N1210-Q1214 PolarHBondContact OD1-NE2 2.79Å; N1210-Q1214 VanDerWaalsContact OD1-NE2 3.1Å; Q1214-T1217 PolarHBondContact O-N 3.28Å; Q1214-Q1218 WeakPolarHBondContact O-CB 3.35Å; Q1214-Q1218 PolarHBondContact O-N 3.17Å |
| 1215 | L | 51.7 | Low | 49.4 | Very low | 88 Ų | 88 | 73.7 Ų | 73.7 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 178.9 | -169.2 | 71.6 | 0 | 0 | 0 | 111.8 | N1211 L1212 Q1218 Q1219 | N1211-L1215 WeakPolarHBondContact O-CB 3.14Å; N1211-L1215 PolarHBondContact O-N 2.83Å; L1212-L1215 PolarHBondContact O-N 3.31Å; L1215-Q1218 PolarHBondContact O-N 3.05Å; L1215-Q1219 WeakPolarHBondContact O-CB 3.14Å; L1215-Q1219 VanDerWaalsContact O-CG 3.3Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.33Å; L1215-Q1219 PolarHBondContact O-N 3Å |
| 1216 | G | 46.3 | Very low | 49.4 | Very low | 36 Ų | 36 | 75 Ų | 75 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1212 Q1218 Q1219 Y1220 | L1212-G1216 PolarHBondContact O-N 3.42Å; G1216-Q1218 VanDerWaalsContact C-N 3.33Å; G1216-Q1218 PolarHBondContact O-N 3.07Å; G1216-Q1219 PolarHBondContact O-N 2.63Å; G1216-Y1220 WeakPolarHBondContact O-CB 3.5Å; G1216-Y1220 PolarHBondContact O-N 2.94Å |
| 1217 | T | 53.3 | Low | 49 | Very low | 38 Ų | 38 | 79.8 Ų | 79.8 | 23% | 0.233 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | F1213 Q1214 Y1220 L1221 | F1213-T1217 VanDerWaalsContact O-CB 3.23Å; F1213-T1217 WeakPolarHBondContact O-CB 3.45Å; F1213-T1217 PolarHBondContact O-N 2.72Å; F1213-T1217 PolarHBondContact O-OG1 2.88Å; Q1214-T1217 PolarHBondContact O-N 3.28Å; T1217-Y1220 PolarHBondContact O-N 3.13Å; T1217-L1221 HydrophobicContact CG2-CD1 4.14Å; T1217-L1221 WeakPolarHBondContact O-CB 3.43Å; T1217-L1221 WeakPolarHBondContact O-CG 3.45Å; T1217-L1221 PolarHBondContact O-N 2.89Å |
| 1218 | Q | 49 | Very low | 48.6 | Very low | 99 Ų | 99 | 79.5 Ų | 79.5 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.6 | -169.8 | 173 | 16.3 | 0 | 0 | 112.2 | Q1214 L1215 G1216 N1222 | Q1214-Q1218 WeakPolarHBondContact O-CB 3.35Å; Q1214-Q1218 PolarHBondContact O-N 3.17Å; L1215-Q1218 PolarHBondContact O-N 3.05Å; G1216-Q1218 VanDerWaalsContact C-N 3.33Å; G1216-Q1218 PolarHBondContact O-N 3.07Å; Q1218-N1222 WeakPolarHBondContact O-CB 3.45Å; Q1218-N1222 PolarHBondContact O-N 2.84Å; Q1218-N1222 PolarHBondContact O-ND2 3.43Å |
| 1219 | Q | 50.1 | Low | 48.3 | Very low | 86 Ų | 86 | 83.5 Ų | 83.5 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 172.1 | -74.1 | 175 | 6.5 | 0 | 0 | 111.5 | L1215 G1216 N1222 Q1223 | L1215-Q1219 WeakPolarHBondContact O-CB 3.14Å; L1215-Q1219 VanDerWaalsContact O-CG 3.3Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.33Å; L1215-Q1219 PolarHBondContact O-N 3Å; G1216-Q1219 PolarHBondContact O-N 2.63Å; Q1219-N1222 WeakPolarHBondContact O-CB 3.49Å; Q1219-N1222 PolarHBondContact O-N 3.13Å; Q1219-Q1223 WeakPolarHBondContact O-CG 3.33Å; Q1219-Q1223 PolarHBondContact O-N 3.4Å |
| 1220 | Y | 45.6 | Very low | 48.3 | Very low | 110 Ų | 110 | 83.8 Ų | 83.8 | 43% | 0.431 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.8 | -175.4 | -122.1 | 0 | 0 | 0 | 112.4 | G1216 T1217 N1222 Q1223 I1224 | G1216-Y1220 WeakPolarHBondContact O-CB 3.5Å; G1216-Y1220 PolarHBondContact O-N 2.94Å; T1217-Y1220 PolarHBondContact O-N 3.13Å; Y1220-N1222 VanDerWaalsContact C-N 3.29Å; Y1220-N1222 PolarHBondContact O-N 3.12Å; Y1220-Q1223 PolarHBondContact O-N 3.5Å; Y1220-Q1223 VanDerWaalsContact O-N 3.15Å; Y1220-I1224 HydrophobicContact CD1-CD1 3.98Å; Y1220-I1224 HydrophobicContact CE1-CD1 3.63Å; Y1220-I1224 HydrophobicContact CE2-CD1 4.33Å; Y1220-I1224 HydrophobicContact CE2-CG1 4.46Å; Y1220-I1224 HydrophobicContact CG-CD1 4.48Å; Y1220-I1224 WeakPolarHBondContact O-CG1 3.28Å; Y1220-I1224 PolarHBondContact O-N 3.26Å |
| 1221 | L | 53 | Low | 47.2 | Very low | 40 Ų | 40 | 86.8 Ų | 86.8 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62 | -34.8 | 172.5 | -75.3 | 169.6 | 0 | 0 | 0 | 112.7 | T1217 S1225 I1249 | T1217-L1221 HydrophobicContact CG2-CD1 4.14Å; T1217-L1221 WeakPolarHBondContact O-CB 3.43Å; T1217-L1221 WeakPolarHBondContact O-CG 3.45Å; T1217-L1221 PolarHBondContact O-N 2.89Å; L1221-S1225 WeakPolarHBondContact O-CB 3.17Å; L1221-S1225 PolarHBondContact O-N 2.97Å; L1221-S1225 PolarHBondContact O-OG 3.06Å; L1221-I1249 HydrophobicContact CD1-CG2 4.39Å; L1221-I1249 HydrophobicContact CD2-CD1 4.38Å |
| 1222 | N | 54.7 | Low | 46.6 | Very low | 98 Ų | 98 | 88 Ų | 88 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 173.2 | -71.1 | -17.3 | 0 | 0 | 0 | 111.9 | Q1218 Q1219 Y1220 S1225 S1226 | Q1218-N1222 WeakPolarHBondContact O-CB 3.45Å; Q1218-N1222 PolarHBondContact O-N 2.84Å; Q1218-N1222 PolarHBondContact O-ND2 3.43Å; Q1219-N1222 WeakPolarHBondContact O-CB 3.49Å; Q1219-N1222 PolarHBondContact O-N 3.13Å; Y1220-N1222 VanDerWaalsContact C-N 3.29Å; Y1220-N1222 PolarHBondContact O-N 3.12Å; N1222-S1225 PolarHBondContact O-N 3.47Å; N1222-S1226 PolarHBondContact O-N 3.06Å; N1222-S1226 PolarHBondContact O-OG 2.93Å |
| 1223 | Q | 46.1 | Very low | 46.2 | Very low | 92 Ų | 92 | 94.1 Ų | 94.1 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 173.9 | -72.7 | -179.9 | 5.8 | 0 | 0 | 112.8 | Q1219 Y1220 S1226 R1227 | Q1219-Q1223 WeakPolarHBondContact O-CG 3.33Å; Q1219-Q1223 PolarHBondContact O-N 3.4Å; Y1220-Q1223 PolarHBondContact O-N 3.5Å; Y1220-Q1223 VanDerWaalsContact O-N 3.15Å; Q1223-S1226 PolarHBondContact O-OG 3.38Å; Q1223-S1226 VanDerWaalsContact O-OG 3.12Å; Q1223-R1227 WeakPolarHBondContact O-CB 3.12Å; Q1223-R1227 WeakPolarHBondContact O-CG 3.48Å; Q1223-R1227 PolarHBondContact O-N 2.96Å |
| 1224 | I | 47.8 | Very low | 45.8 | Very low | 31 Ų | 31 | 95 Ų | 95 | 16% | 0.159 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 170 | -70.6 | 170.5 | 0 | 0 | 0 | 109.6 | Y1220 S1226 R1227 I1228 | Y1220-I1224 HydrophobicContact CD1-CD1 3.98Å; Y1220-I1224 HydrophobicContact CE1-CD1 3.63Å; Y1220-I1224 HydrophobicContact CE2-CD1 4.33Å; Y1220-I1224 HydrophobicContact CE2-CG1 4.46Å; Y1220-I1224 HydrophobicContact CG-CD1 4.48Å; Y1220-I1224 WeakPolarHBondContact O-CG1 3.28Å; Y1220-I1224 PolarHBondContact O-N 3.26Å; I1224-S1226 VanDerWaalsContact C-N 3.28Å; I1224-S1226 PolarHBondContact O-N 2.94Å; I1224-R1227 PolarHBondContact O-N 2.66Å; I1224-I1228 HydrophobicContact CG2-CD1 3.62Å; I1224-I1228 HydrophobicContact CG2-CG1 4.41Å; I1224-I1228 WeakPolarHBondContact O-CG1 2.95Å; I1224-I1228 PolarHBondContact O-N 2.82Å |
| 1225 | S | 47 | Very low | 45.1 | Very low | 54 Ų | 54 | 96.7 Ų | 96.7 | 38% | 0.378 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -28.5 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | L1221 N1222 | L1221-S1225 WeakPolarHBondContact O-CB 3.17Å; L1221-S1225 PolarHBondContact O-N 2.97Å; L1221-S1225 PolarHBondContact O-OG 3.06Å; N1222-S1225 PolarHBondContact O-N 3.47Å |
| 1226 | S | 46 | Very low | 44.7 | Very low | 78 Ų | 78 | 97.1 Ų | 97.1 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -83 | -29.8 | 173.4 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | N1222 Q1223 I1224 | N1222-S1226 PolarHBondContact O-N 3.06Å; N1222-S1226 PolarHBondContact O-OG 2.93Å; Q1223-S1226 PolarHBondContact O-OG 3.38Å; Q1223-S1226 VanDerWaalsContact O-OG 3.12Å; I1224-S1226 VanDerWaalsContact C-N 3.28Å; I1224-S1226 PolarHBondContact O-N 2.94Å |
| 1227 | R | 40.2 | Very low | 44.6 | Very low | 192 Ų | 192 | 101.8 Ų | 101.8 | 73% | 0.725 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.3 | -23.8 | 173.1 | -74.2 | -179 | 177.5 | -166.4 | -0 | 113.4 | Q1223 I1224 Q1229 | Q1223-R1227 WeakPolarHBondContact O-CB 3.12Å; Q1223-R1227 WeakPolarHBondContact O-CG 3.48Å; Q1223-R1227 PolarHBondContact O-N 2.96Å; I1224-R1227 PolarHBondContact O-N 2.66Å; R1227-Q1229 VanDerWaalsContact C-N 3.3Å; R1227-Q1229 PolarHBondContact O-N 3.44Å |
| 1228 | I | 46 | Very low | 44.1 | Very low | 69 Ų | 69 | 104.1 Ų | 104.1 | 35% | 0.354 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 41.4 | 175.4 | -49.1 | 170.4 | 0 | 0 | 0 | 111 | I1224 P1230 F1238 | I1224-I1228 HydrophobicContact CG2-CD1 3.62Å; I1224-I1228 HydrophobicContact CG2-CG1 4.41Å; I1224-I1228 WeakPolarHBondContact O-CG1 2.95Å; I1224-I1228 PolarHBondContact O-N 2.82Å; I1228-P1230 WeakPolarHBondContact O-CD 3.22Å; I1228-F1238 HydrophobicContact CG2-CE1 3.65Å; I1228-F1238 HydrophobicContact CG2-CZ 3.76Å |
| 1229 | Q | 39.3 | Very low | 43.9 | Very low | 161 Ų | 161 | 103.1 Ų | 103.1 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | trans | -110.2 | 87 | 163.3 | -76.3 | -162.7 | -14.7 | 0 | 0 | 110.6 | R1227 | R1227-Q1229 VanDerWaalsContact C-N 3.3Å; R1227-Q1229 PolarHBondContact O-N 3.44Å | ||
| 1230 | P | 45.9 | Very low | 43.9 | Very low | 94 Ų | 94 | 102.4 Ų | 102.4 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | trans | -75 | 148.7 | 172.8 | 32 | -34.8 | 0 | 0 | 0 | 111.2 | I1228 S1232 | I1228-P1230 WeakPolarHBondContact O-CD 3.22Å; P1230-S1232 PolarHBondContact O-N 2.65Å | ||
| 1231 | P | 37.1 | Very low | 43.8 | Very low | 118 Ų | 118 | 101.1 Ų | 101.1 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -67.9 | 130.4 | 167.6 | 28.9 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 1232 | S | 36.1 | Very low | 43.5 | Very low | 113 Ų | 113 | 101.5 Ų | 101.5 | 79% | 0.79 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 53.4 | 72.8 | 167.9 | 55.1 | 0 | 0 | 0 | 0 | 117.4 | P1230 | P1230-S1232 PolarHBondContact O-N 2.65Š|
| 1233 | F | 36.2 | Very low | 43.3 | Very low | 189 Ų | 189 | 101.9 Ų | 101.9 | 83% | 0.829 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -142.3 | 160 | 150.9 | -111.3 | -84.7 | 0 | 0 | 0 | 110.7 | T1235 | F1233-T1235 PolarHBondContact O-N 3.11Š|
| 1234 | D | 39.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 103.6 Ų | 103.6 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | trans | -62.6 | 120.7 | -164.4 | -105.8 | -47.1 | 0 | 0 | 0 | 114.6 | T1236 | D1234-T1236 VanDerWaalsContact C-N 3.32Å; D1234-T1236 PolarHBondContact O-N 3.1Å | ||
| 1235 | T | 36.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 105.6 Ų | 105.6 | 66% | 0.656 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 1.4 | -168.1 | 50 | 0 | 0 | 0 | 0 | 115.2 | F1233 T1239 | F1233-T1235 PolarHBondContact O-N 3.11Å; T1235-T1239 PolarHBondContact O-OG1 2.94Å |
| 1236 | T | 44 | Very low | 43.3 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -32.4 | -170 | 48.5 | 0 | 0 | 0 | 0 | 114.5 | D1234 | D1234-T1236 VanDerWaalsContact C-N 3.32Å; D1234-T1236 PolarHBondContact O-N 3.1Å |
| 1237 | N | 44 | Very low | 43.4 | Very low | 134 Ų | 134 | 104.8 Ų | 104.8 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -24.8 | -173.3 | -70.6 | -26 | 0 | 0 | 0 | 115 | P1240 | N1237-P1240 WeakPolarHBondContact O-CD 3.23Å; N1237-P1240 WeakPolarHBondContact O-CG 3.13Å |
| 1238 | F | 41.2 | Very low | 43.8 | Very low | 86 Ų | 86 | 99.4 Ų | 99.4 | 38% | 0.377 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79 | -38.6 | -175.4 | -155.8 | -98.4 | 0 | 0 | 0 | 112.9 | I1228 L1241 M1242 | I1228-F1238 HydrophobicContact CG2-CE1 3.65Å; I1228-F1238 HydrophobicContact CG2-CZ 3.76Å; F1238-L1241 PolarHBondContact O-N 3.11Å; F1238-M1242 HydrophobicContact CD1-CG 3.8Å; F1238-M1242 HydrophobicContact CE1-CG 3.5Å; F1238-M1242 VanDerWaalsContact CE1-CG 3.5Å; F1238-M1242 HydrophobicContact CE1-SD 4.18Å; F1238-M1242 HydrophobicContact CZ-CG 4.31Å; F1238-M1242 PolarHBondContact O-N 3.48Å |
| 1239 | T | 46.6 | Very low | 43.9 | Very low | 79 Ų | 79 | 98.7 Ų | 98.7 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -55.6 | -49 | 179.1 | -46.6 | 0 | 0 | 0 | 0 | 114.2 | T1235 L1241 N1243 | T1235-T1239 PolarHBondContact O-OG1 2.94Å; T1239-L1241 VanDerWaalsContact C-N 3.34Å; T1239-L1241 PolarHBondContact O-N 3.26Å; T1239-N1243 WeakPolarHBondContact O-CB 3.41Å; T1239-N1243 PolarHBondContact O-N 2.93Å; T1239-N1243 VanDerWaalsContact O-N 3.09Å; T1239-N1243 PolarHBondContact O-ND2 3.45Å |
| 1240 | P | 48.6 | Very low | 44.3 | Very low | 71 Ų | 71 | 96.3 Ų | 96.3 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 176.4 | 25 | -34.2 | 0 | 0 | 0 | 112.9 | N1237 N1243 Q1244 | N1237-P1240 WeakPolarHBondContact O-CD 3.23Å; N1237-P1240 WeakPolarHBondContact O-CG 3.13Å; P1240-N1243 PolarHBondContact O-N 3.19Å; P1240-Q1244 WeakPolarHBondContact O-CB 3.33Å; P1240-Q1244 PolarHBondContact O-N 3.24Å |
| 1241 | L | 44.6 | Very low | 44.5 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.7 | -177 | 63.6 | 0 | 0 | 0 | 111.8 | F1238 T1239 N1243 Q1244 I1245 | F1238-L1241 PolarHBondContact O-N 3.11Å; T1239-L1241 VanDerWaalsContact C-N 3.34Å; T1239-L1241 PolarHBondContact O-N 3.26Å; L1241-N1243 VanDerWaalsContact C-N 3.34Å; L1241-N1243 PolarHBondContact O-N 2.61Å; L1241-Q1244 WeakPolarHBondContact O-CB 3.09Å; L1241-Q1244 PolarHBondContact O-N 3.16Å; L1241-Q1244 VanDerWaalsContact O-N 3.15Å; L1241-I1245 HydrophobicContact CD1-CD1 4.27Å; L1241-I1245 HydrophobicContact CG-CD1 4.06Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.48Å; L1241-I1245 PolarHBondContact O-N 2.61Å |
| 1242 | M | 45.5 | Very low | 44.8 | Very low | 47 Ų | 47 | 92.1 Ų | 92.1 | 23% | 0.232 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.2 | -79 | -64.4 | -70.2 | 0 | 0 | 112.4 | F1238 Q1244 S1246 | F1238-M1242 HydrophobicContact CD1-CG 3.8Å; F1238-M1242 HydrophobicContact CE1-CG 3.5Å; F1238-M1242 VanDerWaalsContact CE1-CG 3.5Å; F1238-M1242 HydrophobicContact CE1-SD 4.18Å; F1238-M1242 HydrophobicContact CZ-CG 4.31Å; F1238-M1242 PolarHBondContact O-N 3.48Å; M1242-Q1244 VanDerWaalsContact C-N 3.34Å; M1242-S1246 VanDerWaalsContact O-CB 3.3Å; M1242-S1246 WeakPolarHBondContact O-CB 3.35Å; M1242-S1246 PolarHBondContact O-N 3.23Å |
| 1243 | N | 51.5 | Low | 45.2 | Very low | 106 Ų | 106 | 89.8 Ų | 89.8 | 57% | 0.567 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 172.7 | -76.8 | -30 | 0 | 0 | 0 | 112 | T1239 P1240 L1241 S1247 | T1239-N1243 WeakPolarHBondContact O-CB 3.41Å; T1239-N1243 PolarHBondContact O-N 2.93Å; T1239-N1243 VanDerWaalsContact O-N 3.09Å; T1239-N1243 PolarHBondContact O-ND2 3.45Å; P1240-N1243 PolarHBondContact O-N 3.19Å; L1241-N1243 VanDerWaalsContact C-N 3.34Å; L1241-N1243 PolarHBondContact O-N 2.61Å; N1243-S1247 WeakPolarHBondContact O-CB 3.44Å; N1243-S1247 PolarHBondContact O-N 3.06Å |
| 1244 | Q | 48.7 | Very low | 45.7 | Very low | 128 Ų | 128 | 84.7 Ų | 84.7 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | 176.7 | -171.6 | 171.7 | -0.1 | 0 | 0 | 111.6 | P1240 L1241 M1242 S1247 V1248 | P1240-Q1244 WeakPolarHBondContact O-CB 3.33Å; P1240-Q1244 PolarHBondContact O-N 3.24Å; L1241-Q1244 WeakPolarHBondContact O-CB 3.09Å; L1241-Q1244 PolarHBondContact O-N 3.16Å; L1241-Q1244 VanDerWaalsContact O-N 3.15Å; M1242-Q1244 VanDerWaalsContact C-N 3.34Å; Q1244-S1247 WeakPolarHBondContact O-CB 3.42Å; Q1244-S1247 PolarHBondContact O-N 2.89Å; Q1244-V1248 WeakPolarHBondContact O-CG2 3.44Å; Q1244-V1248 PolarHBondContact O-N 3.34Å |
| 1245 | I | 46.6 | Very low | 46.2 | Very low | 74 Ų | 74 | 84.6 Ų | 84.6 | 38% | 0.379 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 175.3 | -67.3 | 166.9 | 0 | 0 | 0 | 110.7 | L1241 S1247 V1248 I1249 | L1241-I1245 HydrophobicContact CD1-CD1 4.27Å; L1241-I1245 HydrophobicContact CG-CD1 4.06Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.48Å; L1241-I1245 PolarHBondContact O-N 2.61Å; I1245-S1247 VanDerWaalsContact C-N 3.28Å; I1245-S1247 PolarHBondContact O-N 3.42Å; I1245-V1248 PolarHBondContact O-N 3.31Å; I1245-I1249 HydrophobicContact CG2-CD1 3.8Å; I1245-I1249 WeakPolarHBondContact O-CG1 3.19Å; I1245-I1249 PolarHBondContact O-N 2.91Å |
| 1246 | S | 45.8 | Very low | 46.4 | Very low | 39 Ų | 39 | 82.9 Ų | 82.9 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 176 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | M1242 K1250 | M1242-S1246 VanDerWaalsContact O-CB 3.3Å; M1242-S1246 WeakPolarHBondContact O-CB 3.35Å; M1242-S1246 PolarHBondContact O-N 3.23Å; S1246-K1250 VanDerWaalsContact O-CB 3.32Å; S1246-K1250 WeakPolarHBondContact O-CB 3.43Å; S1246-K1250 VanDerWaalsContact O-CG 3.27Å; S1246-K1250 WeakPolarHBondContact O-CG 3.49Å; S1246-K1250 PolarHBondContact O-N 3.05Å; S1246-K1250 VanDerWaalsContact O-N 3.11Å |
| 1247 | S | 48.8 | Very low | 46.4 | Very low | 75 Ų | 75 | 80.4 Ų | 80.4 | 52% | 0.524 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 173.5 | -175 | 0 | 0 | 0 | 0 | 112.2 | N1243 Q1244 I1245 K1250 S1251 | N1243-S1247 WeakPolarHBondContact O-CB 3.44Å; N1243-S1247 PolarHBondContact O-N 3.06Å; Q1244-S1247 WeakPolarHBondContact O-CB 3.42Å; Q1244-S1247 PolarHBondContact O-N 2.89Å; I1245-S1247 VanDerWaalsContact C-N 3.28Å; I1245-S1247 PolarHBondContact O-N 3.42Å; S1247-K1250 PolarHBondContact O-N 3.14Å; S1247-S1251 PolarHBondContact O-N 3.18Å; S1247-S1251 PolarHBondContact O-OG 3.38Å |
| 1248 | V | 48 | Very low | 46.6 | Very low | 80 Ų | 80 | 80.2 Ų | 80.2 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | Q1244 I1245 K1250 S1251 T1252 | Q1244-V1248 WeakPolarHBondContact O-CG2 3.44Å; Q1244-V1248 PolarHBondContact O-N 3.34Å; I1245-V1248 PolarHBondContact O-N 3.31Å; V1248-K1250 VanDerWaalsContact C-N 3.26Å; V1248-K1250 PolarHBondContact O-N 3.12Å; V1248-S1251 WeakPolarHBondContact CA-OG 3.38Å; V1248-S1251 PolarHBondContact O-N 2.95Å; V1248-S1251 VanDerWaalsContact O-N 3.13Å; V1248-S1251 PolarHBondContact O-OG 2.93Å; V1248-T1252 PolarHBondContact O-N 3.15Å; V1248-T1252 PolarHBondContact O-OG1 2.91Å; V1248-T1252 VanDerWaalsContact O-OG1 3.13Å |
| 1249 | I | 48.4 | Very low | 46.8 | Very low | 53 Ų | 53 | 82.3 Ų | 82.3 | 27% | 0.272 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 176.2 | -67 | 168.5 | 0 | 0 | 0 | 110.6 | L1221 I1245 L1253 | L1221-I1249 HydrophobicContact CD1-CG2 4.39Å; L1221-I1249 HydrophobicContact CD2-CD1 4.38Å; I1245-I1249 HydrophobicContact CG2-CD1 3.8Å; I1245-I1249 WeakPolarHBondContact O-CG1 3.19Å; I1245-I1249 PolarHBondContact O-N 2.91Å; I1249-L1253 HydrophobicContact CG2-CD1 4.02Å; I1249-L1253 WeakPolarHBondContact O-CB 3.35Å; I1249-L1253 PolarHBondContact O-N 3.27Å |
| 1250 | K | 47 | Very low | 46.5 | Very low | 111 Ų | 111 | 81.6 Ų | 81.6 | 48% | 0.483 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 175.7 | -77.7 | 172.4 | 179.9 | 164.4 | 0 | 113.6 | S1246 S1247 V1248 N1254 | S1246-K1250 VanDerWaalsContact O-CB 3.32Å; S1246-K1250 WeakPolarHBondContact O-CB 3.43Å; S1246-K1250 VanDerWaalsContact O-CG 3.27Å; S1246-K1250 WeakPolarHBondContact O-CG 3.49Å; S1246-K1250 PolarHBondContact O-N 3.05Å; S1246-K1250 VanDerWaalsContact O-N 3.11Å; S1247-K1250 PolarHBondContact O-N 3.14Å; V1248-K1250 VanDerWaalsContact C-N 3.26Å; V1248-K1250 PolarHBondContact O-N 3.12Å; K1250-N1254 WeakPolarHBondContact O-CB 3.37Å; K1250-N1254 PolarHBondContact O-N 3.3Å; K1250-N1254 VanDerWaalsContact O-N 3.12Å; K1250-N1254 PolarHBondContact O-ND2 2.94Å |
| 1251 | S | 49.5 | Very low | 45.9 | Very low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | S1247 V1248 L1253 N1254 E1255 | S1247-S1251 PolarHBondContact O-N 3.18Å; S1247-S1251 PolarHBondContact O-OG 3.38Å; V1248-S1251 WeakPolarHBondContact CA-OG 3.38Å; V1248-S1251 PolarHBondContact O-N 2.95Å; V1248-S1251 VanDerWaalsContact O-N 3.13Å; V1248-S1251 PolarHBondContact O-OG 2.93Å; S1251-L1253 PolarHBondContact O-N 3.31Å; S1251-N1254 CarbonylContact O-C 3.41Å; S1251-N1254 PolarHBondContact O-N 3.49Å; S1251-N1254 VanDerWaalsContact O-N 3.09Å; S1251-E1255 WeakPolarHBondContact O-CG 3.25Å; S1251-E1255 PolarHBondContact O-N 3.3Å |
| 1252 | T | 45 | Very low | 45.9 | Very low | 73 Ų | 73 | 87.4 Ų | 87.4 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | V1248 N1254 E1255 T1256 | V1248-T1252 PolarHBondContact O-N 3.15Å; V1248-T1252 PolarHBondContact O-OG1 2.91Å; V1248-T1252 VanDerWaalsContact O-OG1 3.13Å; T1252-N1254 VanDerWaalsContact C-N 3.32Å; T1252-N1254 PolarHBondContact O-N 3.39Å; T1252-E1255 PolarHBondContact O-N 2.87Å; T1252-T1256 PolarHBondContact O-N 3.18Å; T1252-T1256 PolarHBondContact O-OG1 3.38Å |
| 1253 | L | 43.9 | Very low | 45.5 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 34% | 0.34 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -34.5 | 174.3 | -81.8 | 167.7 | 0 | 0 | 0 | 113.5 | I1249 S1251 T1256 L1257 | I1249-L1253 HydrophobicContact CG2-CD1 4.02Å; I1249-L1253 WeakPolarHBondContact O-CB 3.35Å; I1249-L1253 PolarHBondContact O-N 3.27Å; S1251-L1253 PolarHBondContact O-N 3.31Å; L1253-T1256 PolarHBondContact O-OG1 2.77Å; L1253-L1257 WeakPolarHBondContact O-CB 3.35Å; L1253-L1257 PolarHBondContact O-N 3.04Å; L1253-L1257 VanDerWaalsContact O-N 3.12Å |
| 1254 | N | 47.4 | Very low | 44.6 | Very low | 82 Ų | 82 | 89.2 Ų | 89.2 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.4 | -23.7 | 177.2 | -84.1 | -88.3 | 0 | 0 | 0 | 113.1 | K1250 S1251 T1252 K1258 | K1250-N1254 WeakPolarHBondContact O-CB 3.37Å; K1250-N1254 PolarHBondContact O-N 3.3Å; K1250-N1254 VanDerWaalsContact O-N 3.12Å; K1250-N1254 PolarHBondContact O-ND2 2.94Å; S1251-N1254 CarbonylContact O-C 3.41Å; S1251-N1254 PolarHBondContact O-N 3.49Å; S1251-N1254 VanDerWaalsContact O-N 3.09Å; T1252-N1254 VanDerWaalsContact C-N 3.32Å; T1252-N1254 PolarHBondContact O-N 3.39Å; N1254-K1258 WeakPolarHBondContact O-CB 3.49Å; N1254-K1258 WeakPolarHBondContact O-CD 3.19Å; N1254-K1258 WeakPolarHBondContact O-CG 3.2Å; N1254-K1258 PolarHBondContact O-N 3.49Å |
| 1255 | E | 48 | Very low | 43.7 | Very low | 136 Ų | 136 | 85 Ų | 85 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -79.6 | -44.5 | 174.8 | -73.5 | -176 | 143.6 | 0 | 0 | 111.2 | S1251 T1252 K1258 E1259 | S1251-E1255 WeakPolarHBondContact O-CG 3.25Å; S1251-E1255 PolarHBondContact O-N 3.3Å; T1252-E1255 PolarHBondContact O-N 2.87Å; E1255-K1258 PolarHBondContact O-N 2.93Å; E1255-E1259 PolarHBondContact O-N 2.99Å |
| 1256 | T | 41.9 | Very low | 42.9 | Very low | 71 Ų | 71 | 86.6 Ų | 86.6 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 173.5 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | T1252 L1253 K1258 E1259 V1260 | T1252-T1256 PolarHBondContact O-N 3.18Å; T1252-T1256 PolarHBondContact O-OG1 3.38Å; L1253-T1256 PolarHBondContact O-OG1 2.77Å; T1256-K1258 VanDerWaalsContact C-N 3.34Å; T1256-K1258 PolarHBondContact O-N 3.29Å; T1256-E1259 PolarHBondContact O-N 2.82Å; T1256-E1259 VanDerWaalsContact O-N 3.14Å; T1256-V1260 WeakPolarHBondContact O-CG2 3.28Å; T1256-V1260 PolarHBondContact O-N 3.12Å |
| 1257 | L | 44.5 | Very low | 42.2 | Very low | 45 Ų | 45 | 90 Ų | 90 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.4 | -172 | 73 | 0 | 0 | 0 | 111.5 | N1210 L1253 E1259 V1260 E1261 | N1210-L1257 WeakPolarHBondContact ND2-CD1 3.49Å; L1253-L1257 WeakPolarHBondContact O-CB 3.35Å; L1253-L1257 PolarHBondContact O-N 3.04Å; L1253-L1257 VanDerWaalsContact O-N 3.12Å; L1257-E1259 VanDerWaalsContact C-N 3.3Å; L1257-E1259 PolarHBondContact O-N 3.45Å; L1257-V1260 PolarHBondContact O-N 3.39Å; L1257-E1261 WeakPolarHBondContact O-CB 3.41Å; L1257-E1261 WeakPolarHBondContact O-CG 3.4Å; L1257-E1261 PolarHBondContact O-N 3.46Å |
| 1258 | K | 48.4 | Very low | 41.1 | Very low | 129 Ų | 129 | 91.4 Ų | 91.4 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -30.6 | 176.4 | -80.9 | 172.1 | -175.7 | 165.7 | 0 | 113.2 | N1254 E1255 T1256 K1262 | N1254-K1258 WeakPolarHBondContact O-CB 3.49Å; N1254-K1258 WeakPolarHBondContact O-CD 3.19Å; N1254-K1258 WeakPolarHBondContact O-CG 3.2Å; N1254-K1258 PolarHBondContact O-N 3.49Å; E1255-K1258 PolarHBondContact O-N 2.93Å; T1256-K1258 VanDerWaalsContact C-N 3.34Å; T1256-K1258 PolarHBondContact O-N 3.29Å; K1258-K1262 WeakPolarHBondContact O-CB 3.36Å; K1258-K1262 PolarHBondContact O-N 3.26Å |
| 1259 | E | 43.7 | Very low | 39.9 | Very low | 130 Ų | 130 | 92.1 Ų | 92.1 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.7 | -41.3 | 177.4 | -156.7 | 163.1 | -140.8 | 0 | 0 | 111.2 | E1255 T1256 L1257 K1262 K1263 | E1255-E1259 PolarHBondContact O-N 2.99Å; T1256-E1259 PolarHBondContact O-N 2.82Å; T1256-E1259 VanDerWaalsContact O-N 3.14Å; L1257-E1259 VanDerWaalsContact C-N 3.3Å; L1257-E1259 PolarHBondContact O-N 3.45Å; E1259-K1262 PolarHBondContact O-N 3.39Å; E1259-K1263 PolarHBondContact O-N 3.35Å |
| 1260 | V | 40 | Very low | 38.9 | Very low | 64 Ų | 64 | 97.9 Ų | 97.9 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 172.3 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | T1256 L1257 K1262 K1263 C1264 | T1256-V1260 WeakPolarHBondContact O-CG2 3.28Å; T1256-V1260 PolarHBondContact O-N 3.12Å; L1257-V1260 PolarHBondContact O-N 3.39Å; V1260-K1262 VanDerWaalsContact C-N 3.28Å; V1260-K1262 PolarHBondContact O-N 2.9Å; V1260-K1263 PolarHBondContact O-N 3.19Å; V1260-C1264 PolarHBondContact O-N 2.78Å |
| 1261 | E | 37.8 | Very low | 37.8 | Very low | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.3 | -39 | 175.1 | -77.1 | -171.9 | 147.1 | 0 | 0 | 112.1 | L1257 C1264 G1265 | L1257-E1261 WeakPolarHBondContact O-CB 3.41Å; L1257-E1261 WeakPolarHBondContact O-CG 3.4Å; L1257-E1261 PolarHBondContact O-N 3.46Å; E1261-C1264 PolarHBondContact O-N 3.24Å; E1261-G1265 WeakPolarHBondContact O-CA 3.41Å; E1261-G1265 PolarHBondContact O-N 2.84Å |
| 1262 | K | 43.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 106.8 Ų | 106.8 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.6 | -23.4 | -178.9 | -170.6 | 179.6 | -176 | -171.9 | 0 | 113 | K1258 E1259 V1260 N1266 | K1258-K1262 WeakPolarHBondContact O-CB 3.36Å; K1258-K1262 PolarHBondContact O-N 3.26Å; E1259-K1262 PolarHBondContact O-N 3.39Å; V1260-K1262 VanDerWaalsContact C-N 3.28Å; V1260-K1262 PolarHBondContact O-N 2.9Å; K1262-N1266 PolarHBondContact O-ND2 2.84Å |
| 1263 | K | 37 | Very low | 35.6 | Very low | 114 Ų | 114 | 110.3 Ų | 110.3 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.9 | -54.6 | 164.9 | -78 | 177.4 | 174.4 | 174.9 | 0 | 111 | E980 E1259 V1260 G1265 N1266 | E980-K1263 VanDerWaalsContact CD-NZ 3.31Å; E980-K1263 WeakPolarHBondContact OE1-CD 2.96Å; E980-K1263 IonicContact OE1-NZ 3.7Å; E980-K1263 PolarHBondContact OE1-NZ 3.46Å; E980-K1263 IonicContact OE2-NZ 3.36Å; E980-K1263 PolarHBondContact OE2-NZ 2.88Å; E1259-K1263 PolarHBondContact O-N 3.35Å; V1260-K1263 PolarHBondContact O-N 3.19Å; K1263-G1265 VanDerWaalsContact C-N 3.25Å; K1263-G1265 PolarHBondContact O-N 2.92Å; K1263-N1266 PolarHBondContact O-N 2.71Å |
| 1264 | C | 32.2 | Very low | 34.8 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 52% | 0.52 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.9 | -34.2 | 178.1 | -87.3 | 0 | 0 | 0 | 0 | 113.8 | V1260 E1261 | V1260-C1264 PolarHBondContact O-N 2.78Å; E1261-C1264 PolarHBondContact O-N 3.24Å |
| 1265 | G | 30.6 | Very low | 33.7 | Very low | 39 Ų | 39 | 113 Ų | 113 | 40% | 0.402 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -80.5 | -9.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1261 K1263 S1268 | E1261-G1265 WeakPolarHBondContact O-CA 3.41Å; E1261-G1265 PolarHBondContact O-N 2.84Å; K1263-G1265 VanDerWaalsContact C-N 3.25Å; K1263-G1265 PolarHBondContact O-N 2.92Å; G1265-S1268 PolarHBondContact O-OG 3.15Å; G1265-S1268 VanDerWaalsContact O-OG 3.05Å |
| 1266 | N | 29.7 | Very low | 32.6 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -84.1 | -15.6 | -177.1 | -84.2 | -20.6 | 0 | 0 | 0 | 114.2 | K1262 K1263 S1268 S1269 | K1262-N1266 PolarHBondContact O-ND2 2.84Å; K1263-N1266 PolarHBondContact O-N 2.71Å; N1266-S1268 PolarHBondContact O-N 2.79Å; N1266-S1269 PolarHBondContact O-OG 2.81Å |
| 1267 | S | 31 | Very low | 32 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -75.2 | 4.2 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1268 | S | 25.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | trans | -115.7 | 45.2 | -179.5 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | G1265 N1266 | G1265-S1268 PolarHBondContact O-OG 3.15Å; G1265-S1268 VanDerWaalsContact O-OG 3.05Å; N1266-S1268 PolarHBondContact O-N 2.79Å | ||
| 1269 | S | 24.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | trans | -126 | 24 | -172.5 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | N1266 | N1266-S1269 PolarHBondContact O-OG 2.81Š| ||
| 1270 | L | 26.1 | Very low | 29.3 | Very low | 174 Ų | 174 | 113.8 Ų | 113.8 | 91% | 0.911 | 66% | 0.66 | S | S | * | * | trans | -99.7 | 108.3 | 163 | -92.2 | 166.7 | 0 | 0 | 0 | 111.2 | ||||
| 1271 | K | 24.6 | Very low | 28.8 | Very low | 204 Ų | 204 | 115.9 Ų | 115.9 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -73.2 | 126.1 | 175.5 | -67.1 | 177 | 179.6 | 176.1 | 0 | 110.2 | ||||
| 1272 | I | 23.8 | Very low | 28.1 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | trans | -99.6 | 148.1 | 166.4 | -62.7 | 176.9 | 0 | 0 | 0 | 108.7 | ||||
| 1273 | N | 23.8 | Very low | 27.4 | Very low | 147 Ų | 147 | 114.1 Ų | 114.1 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | 81.1 | 147.2 | 179.4 | -56.9 | -45 | 0 | 0 | 0 | 117.7 | ||||
| 1274 | P | 28.6 | Very low | 27 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | cis | -125 | 159.1 | -8.5 | 39.8 | -25.9 | 0 | 0 | 0 | 115.3 | ||||
| 1275 | S | 23.1 | Very low | 26.9 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | trans | 43.2 | 131.4 | 143 | 64 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1276 | S | 25.2 | Very low | 26.8 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | 57.8 | 137.2 | 146.8 | 51.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1277 | D | 29.4 | Very low | 26.8 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | cis | -131.3 | 155.3 | 15.8 | -88 | -54.6 | 0 | 0 | 0 | 111.2 | ||||
| 1278 | S | 26.8 | Very low | 26.8 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | cis | 76.3 | 82.4 | 35.6 | 125.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1279 | C | 27.9 | Very low | 27 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -122.9 | 112.2 | 141.2 | -79.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1280 | T | 25.2 | Very low | 27.2 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | 59.8 | 142 | 50.1 | 88.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1281 | T | 29.4 | Very low | 27.4 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | cis | -127 | 141.2 | 21.4 | 53 | 0 | 0 | 0 | 0 | 111.1 | T1283 | T1281-T1283 HydrophobicContact CG2-CG2 4.14Š| ||
| 1282 | N | 23.7 | Very low | 27.3 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | cis | 63.6 | 176.8 | 30.2 | -150 | -11.7 | 0 | 0 | 0 | 112.9 | ||||
| 1283 | T | 28.1 | Very low | 27.6 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | trans | 76.9 | 139.9 | 173.9 | 82 | 0 | 0 | 0 | 0 | 114.9 | T1281 | T1281-T1283 HydrophobicContact CG2-CG2 4.14Š| ||
| 1284 | I | 27.9 | Very low | 27.9 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | cis | -159.8 | 174.6 | 2.3 | -132.4 | 169.1 | 0 | 0 | 0 | 113.5 | ||||
| 1285 | D | 30.1 | Very low | 27.9 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 52% | 0.519 | 69% | 0.693 | S | S | . | * | trans | 87.6 | 131.6 | 167.1 | -71.9 | -19.1 | 0 | 0 | 0 | 119 | ||||
| 1286 | R | 29.5 | Very low | 28.1 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | cis | -165.2 | 147 | -9.4 | -132.4 | 168.4 | -157.6 | 119.6 | 28.2 | 112.2 | ||||
| 1287 | N | 29.7 | Very low | 28.3 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | trans | 62.8 | 157 | 149 | -78 | 27.6 | 0 | 0 | 0 | 119.6 | ||||
| 1288 | D | 30.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | cis | -150.4 | 154.5 | 2.3 | -116.9 | -31.9 | 0 | 0 | 0 | 113.7 | ||||
| 1289 | H | 29.2 | Very low | 28.5 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 73% | 0.731 | 70% | 0.696 | S | S | * | * | trans | 21.9 | 126.3 | 153.2 | -69 | 70.9 | 0 | 0 | 0 | 122.1 | ||||
| 1290 | Y | 29.3 | Very low | 28.7 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 91% | 0.906 | 69% | 0.688 | S | S | * | * | -161.6 | 173.4 | 102.4 | -122.3 | -89.8 | 0 | 0 | 0 | 112.6 | |||||
| 1291 | S | 28.9 | Very low | 29 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -115.9 | 154.1 | -156.6 | 60.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1292 | E | 23.6 | Very low | 29 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | trans | -52.7 | 150.1 | 160.8 | 171.4 | -175.7 | -126.6 | 0 | 0 | 114.8 | ||||
| 1293 | I | 29.8 | Very low | 29.4 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -179.6 | 147 | 153.4 | -100.9 | 151.4 | 0 | 0 | 0 | 110.6 | ||||
| 1294 | V | 29.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 58% | 0.582 | 71% | 0.708 | S | S | * | * | cis | -171.4 | 173.4 | -31 | 92.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1295 | Y | 29.1 | Very low | 29.3 | Very low | 206 Ų | 206 | 144 Ų | 144 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | 85 | 123.9 | 176.2 | -63.9 | -63.3 | 0 | 0 | 0 | 117.6 | ||||
| 1296 | D | 27.3 | Very low | 29.1 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | cis | 73.6 | 148.2 | 33 | -83.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1297 | N | 29.9 | Very low | 29 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -159.2 | 144.4 | 8.9 | -126.3 | -35.3 | 0 | 0 | 0 | 116.3 | ||||
| 1298 | V | 27.7 | Very low | 29 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | trans | 45.8 | 131.7 | 133 | 162.2 | 0 | 0 | 0 | 0 | 124.8 | H1300 | V1298-H1300 WeakPolarHBondContact CG1-CD2 3.34Š| ||
| 1299 | K | 31.6 | Very low | 28.9 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | -165.4 | 115.7 | 122.3 | -100.5 | 157.1 | -174.1 | 169.9 | 0 | 110 | |||||
| 1300 | H | 32.7 | Very low | 28.9 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | 71.5 | 138.2 | 76.5 | -80 | -43.2 | 0 | 0 | 0 | 114.5 | V1298 | V1298-H1300 WeakPolarHBondContact CG1-CD2 3.34Š| |||
| 1301 | K | 31.7 | Very low | 29 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | cis | -141.1 | 146.4 | 29.9 | -103.2 | 168.9 | 161.8 | -178.7 | 0 | 110.9 | ||||
| 1302 | Q | 30.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | 56.9 | 147.9 | 74.6 | -75.1 | 172.3 | -17.2 | 0 | 0 | 114.7 | |||||
| 1303 | S | 30.5 | Very low | 29.7 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | cis | -171.8 | 145.7 | -1.6 | 41.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1304 | N | 26.9 | Very low | 29.7 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | cis | 92.5 | 151.1 | 48.9 | -153.7 | 8.1 | 0 | 0 | 0 | 114.9 | ||||
| 1305 | L | 27.7 | Very low | 30 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | 92.3 | 101.4 | 170.4 | -88.9 | 70.2 | 0 | 0 | 0 | 123.7 | ||||
| 1306 | T | 26.3 | Very low | 30 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | 42.2 | 139.1 | 118.3 | 62.4 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1307 | T | 27.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | 177.8 | 154.5 | 105.6 | 27.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 1308 | S | 29.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | trans | 68.9 | 151.2 | 152.1 | -69.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1309 | D | 29.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | cis | -158.9 | 150 | -18.1 | -147.9 | 8 | 0 | 0 | 0 | 113.3 | ||||
| 1310 | K | 28.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 38.9 | 155.4 | 151 | -73.3 | 166.8 | -164.5 | 76.3 | 0 | 125.1 | ||||
| 1311 | T | 31.9 | Very low | 30.2 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | 87 | 138.9 | 161.1 | 77.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1312 | A | 33.3 | Very low | 30 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 70% | 0.703 | S | S | * | * | cis | -153.3 | 157.3 | -1.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1313 | V | 34.4 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | 61.8 | 102 | 145.3 | 174.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1314 | N | 30.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | 67.7 | 140.7 | 89.3 | -80.6 | -50.1 | 0 | 0 | 0 | 114.3 | |||||
| 1315 | K | 35.1 | Very low | 29.8 | Very low | 173 Ų | 173 | 133 Ų | 133 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | cis | -144.7 | 148.1 | 11.1 | -102 | 140.3 | -177.4 | -179.6 | 0 | 107.5 | ||||
| 1316 | K | 28.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | 58.4 | 138.7 | 68.4 | -79.8 | -166.8 | 175.2 | 179 | 0 | 112.5 | |||||
| 1317 | S | 29.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | cis | -177.5 | 164.7 | 9.4 | -118.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1318 | Q | 31.4 | Very low | 29.7 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | 70.9 | 163.9 | 138.5 | -75.7 | 172 | -0.1 | 0 | 0 | 117.6 | ||||
| 1319 | N | 29.7 | Very low | 29.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | cis | -155.5 | 173.2 | -6.2 | -119.7 | -27.9 | 0 | 0 | 0 | 107.1 | ||||
| 1320 | R | 31.5 | Very low | 29.9 | Very low | 222 Ų | 222 | 133.2 Ų | 133.2 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | cis | -171.7 | 171.2 | 29.3 | -121.8 | 148 | -173.7 | -156.3 | 2.6 | 106.3 | ||||
| 1321 | H | 30.1 | Very low | 30.5 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | cis | 174.5 | 134.7 | -41.5 | -130.8 | -15.5 | 0 | 0 | 0 | 107.9 | ||||
| 1322 | L | 27.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | trans | 67.7 | 164.5 | 150.6 | -59.1 | 163.3 | 0 | 0 | 0 | 116.6 | ||||
| 1323 | N | 26.9 | Very low | 30.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | cis | -160.9 | 157.5 | 10.6 | -136 | -14.8 | 0 | 0 | 0 | 114.3 | ||||
| 1324 | K | 29.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | 65.1 | 117.7 | 141.8 | -84 | -180 | 177.5 | -171.2 | 0 | 125.4 | ||||
| 1325 | T | 26.7 | Very low | 30 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | 59.9 | 136.9 | 125.1 | 62.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1326 | G | 26.5 | Very low | 29.8 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | trans | 156 | 94.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1327 | N | 26.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | 35.3 | 137.9 | 133.7 | -86 | 20.3 | 0 | 0 | 0 | 126 | ||||
| 1328 | V | 27 | Very low | 29.7 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | 92.9 | 116.2 | 127.8 | 166.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1329 | N | 29.3 | Very low | 29.7 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | 54 | 117.5 | 140.6 | -60.8 | 2.1 | 0 | 0 | 0 | 125.7 | ||||
| 1330 | T | 33 | Very low | 29.6 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | 71.2 | 159.2 | 127.6 | 60.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 1331 | P | 40.4 | Very low | 29.4 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | cis | -134.8 | -169.8 | -10.7 | 27 | -2.6 | 0 | 0 | 0 | 115.7 | ||||
| 1332 | H | 30.4 | Very low | 29.3 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | 76 | 142.1 | 166.7 | -84.4 | -103.4 | 0 | 0 | 0 | 118.1 | ||||
| 1333 | V | 31.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -179.8 | 162.5 | -17.1 | 104.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1334 | S | 30.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -171.4 | 169.8 | -9.8 | 58.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1335 | N | 28.4 | Very low | 29.6 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | -179.3 | 156.8 | -32 | -178.2 | 33.7 | 0 | 0 | 0 | 108 | ||||
| 1336 | S | 30.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 64.3 | 168.8 | 170.5 | -55.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1337 | G | 25.2 | Very low | 29.9 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | cis | 138.8 | 118.9 | -14.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1338 | S | 32.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 74.3 | 137.4 | 155.6 | -60.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1339 | N | 30.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | 65.8 | 101.5 | 143.8 | -69.3 | 6.6 | 0 | 0 | 0 | 123.4 | ||||
| 1340 | S | 27.3 | Very low | 30 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | 62.3 | 124.2 | 101 | -160.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1341 | N | 26.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 55.2 | 109 | 145.1 | -65.8 | 0.8 | 0 | 0 | 0 | 120 | ||||
| 1342 | N | 28.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 174.6 | 154 | 82.5 | -102.6 | -26.1 | 0 | 0 | 0 | 115.8 | |||||
| 1343 | N | 27.9 | Very low | 29.2 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 70 | 152.1 | 148.6 | -65.2 | -15.7 | 0 | 0 | 0 | 122.1 | ||||
| 1344 | N | 31.6 | Very low | 29.2 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | 72 | 87 | 158.5 | -59.1 | -13.9 | 0 | 0 | 0 | 119 | ||||
| 1345 | N | 31.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -51.7 | 128.6 | 135.2 | -166.8 | 5.8 | 0 | 0 | 0 | 108.2 | N1347 | N1345-N1347 PolarHBondContact OD1-N 2.81Š| ||
| 1346 | P | 33 | Very low | 29.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | -136.8 | 163.7 | 94.6 | 39.6 | -28.9 | 0 | 0 | 0 | 114.5 | |||||
| 1347 | N | 26.6 | Very low | 28.9 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -81.8 | 174.1 | 178.1 | -159.2 | -13.7 | 0 | 0 | 0 | 112.3 | N1345 | N1345-N1347 PolarHBondContact OD1-N 2.81Š| ||
| 1348 | V | 26.7 | Very low | 29.1 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 58% | 0.576 | 73% | 0.734 | S | S | * | * | trans | 91.8 | 111.1 | 142.3 | 141.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1349 | K | 24.2 | Very low | 29.3 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | 71.7 | 126.5 | 140.2 | -62.6 | 171.3 | -169.3 | 165.8 | 0 | 119.3 | ||||
| 1350 | N | 32.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | 58.8 | 108.9 | 67.6 | -75.8 | -0.2 | 0 | 0 | 0 | 114.5 | |||||
| 1351 | K | 27.5 | Very low | 29.5 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -180 | 155.8 | 166.6 | -112.3 | -169.5 | 164.6 | -172.5 | 0 | 110.2 | ||||
| 1352 | I | 29.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 65% | 0.651 | 74% | 0.735 | S | S | * | * | cis | -152.6 | 173 | -10.9 | -2 | 155.9 | 0 | 0 | 0 | 106.2 | ||||
| 1353 | Q | 30.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | cis | -150.1 | 154.8 | -7.5 | -154.3 | 156 | -54.3 | 0 | 0 | 104.9 | ||||
| 1354 | T | 30.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | 175 | 150.9 | 74.9 | 40.1 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 1355 | T | 30.7 | Very low | 29.2 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | cis | -164.8 | 147 | -4.6 | 18.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1356 | N | 26.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | trans | 37.6 | 146.9 | 132.7 | -51.9 | 33 | 0 | 0 | 0 | 120.1 | ||||
| 1357 | E | 27.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | cis | -163.8 | 172.1 | 6.8 | -125.7 | 159.6 | -121.9 | 0 | 0 | 111.2 | ||||
| 1358 | N | 28.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -89.4 | 148.8 | 168.5 | -90.3 | -19.5 | 0 | 0 | 0 | 109.9 | ||||
| 1359 | P | 35.4 | Very low | 29.2 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | -154.1 | -177.3 | 72.5 | 41 | -19.9 | 0 | 0 | 0 | 117.9 | |||||
| 1360 | H | 31.1 | Very low | 29.2 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -55.4 | 152.4 | 169.9 | -97.1 | -53 | 0 | 0 | 0 | 114.1 | ||||
| 1361 | P | 31.5 | Very low | 28.8 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | -154.7 | 172.9 | 70.4 | 43.1 | -23.2 | 0 | 0 | 0 | 119.7 | |||||
| 1362 | S | 24.9 | Very low | 28.6 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | 53.6 | 115.1 | 146 | -59.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1363 | N | 26 | Very low | 28.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | 78.3 | 141.6 | 128.7 | -70.8 | -9.5 | 0 | 0 | 0 | 125.1 | |||||
| 1364 | L | 27.7 | Very low | 27.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | 76.7 | 82.6 | 152.3 | -71.8 | 159.5 | 0 | 0 | 0 | 121.3 | ||||
| 1365 | Y | 29.1 | Very low | 27.3 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | 37.1 | 155.7 | 111.1 | -87.9 | -105.8 | 0 | 0 | 0 | 121.8 | Q1367 Q1368 | Y1365-Q1367 HydrophobicContact CD1-CG 4.31Å; Y1365-Q1367 HydrophobicContact CE1-CG 4.34Å; Y1365-Q1368 HydrophobicContact CE1-CG 4.35Å | |||
| 1366 | P | 38.5 | Very low | 26.9 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -127.3 | 171.8 | 13.4 | 43.1 | -28.3 | 0 | 0 | 0 | 115.2 | ||||
| 1367 | Q | 29.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -152.5 | 140.4 | -0.8 | -136.4 | 174.1 | -57.4 | 0 | 0 | 111.6 | Y1365 | Y1365-Q1367 HydrophobicContact CD1-CG 4.31Å; Y1365-Q1367 HydrophobicContact CE1-CG 4.34Å | ||
| 1368 | Q | 27.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | trans | 33.6 | 146.1 | 147.2 | -68.7 | 169.5 | -46.4 | 0 | 0 | 122.5 | Y1365 | Y1365-Q1368 HydrophobicContact CE1-CG 4.35Š| ||
| 1369 | S | 23.8 | Very low | 26.6 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | 143.4 | 117.3 | -20 | 55.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1370 | L | 24.2 | Very low | 26.2 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | 88.3 | 117.6 | 43.2 | -165.2 | 145.2 | 0 | 0 | 0 | 114.6 | T1372 | L1370-T1372 HydrophobicContact CD2-CG2 4.46Š| ||
| 1371 | S | 23.8 | Very low | 26 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -149.4 | 176.7 | 177 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1372 | T | 22.1 | Very low | 26 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | -154 | 157.4 | -156.8 | 61.2 | 0 | 0 | 0 | 0 | 116.2 | L1370 | L1370-T1372 HydrophobicContact CD2-CG2 4.46Š| ||
| 1373 | L | 21.3 | Very low | 26.4 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 73.2 | 154.8 | 166.7 | -83.2 | 66.8 | 0 | 0 | 0 | 115.7 | ||||
| 1374 | T | 22.1 | Very low | 26.8 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | cis | -146.1 | -170.6 | 10.7 | -17.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1375 | T | 21.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -76.6 | 149.1 | -166.8 | 46.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1376 | T | 23 | Very low | 27.9 | Very low | 122 Ų | 122 | 115.5 Ų | 115.5 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | 55 | 122.9 | 141.4 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1377 | T | 22.4 | Very low | 28.2 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 91% | 0.908 | 69% | 0.689 | S | S | * | * | -168.8 | 176.2 | 121.7 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1378 | T | 25.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -108.6 | 172.1 | -168.4 | 47.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1379 | S | 27.6 | Very low | 31.5 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | trans | 63.8 | 105.9 | 148.8 | 54.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1380 | S | 26.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | 179.4 | 87.1 | 135.8 | 33.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1381 | S | 27.8 | Very low | 35.7 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -150.2 | 89.5 | -170.8 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1382 | S | 30.4 | Very low | 38.2 | Very low | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -153.2 | -51.9 | 167.5 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | L1384 S1385 | S1382-L1384 VanDerWaalsContact C-N 3.35Å; S1382-L1384 PolarHBondContact O-N 3.46Å; S1382-S1385 WeakPolarHBondContact O-CB 3.26Å; S1382-S1385 PolarHBondContact O-N 3.46Å; S1382-S1385 VanDerWaalsContact O-N 3.1Å |
| 1383 | S | 33.2 | Very low | 40.9 | Very low | 82 Ų | 82 | 110.4 Ų | 110.4 | 57% | 0.573 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.6 | -34 | -179.8 | 57 | 0 | 0 | 0 | 0 | 113.9 | S1385 | S1383-S1385 VanDerWaalsContact C-N 3.33Å |
| 1384 | L | 35 | Very low | 43.8 | Very low | 120 Ų | 120 | 104.6 Ų | 104.6 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -34 | 172.4 | -89.8 | 160 | 0 | 0 | 0 | 112.5 | S1382 K1387 Q1388 | S1382-L1384 VanDerWaalsContact C-N 3.35Å; S1382-L1384 PolarHBondContact O-N 3.46Å; L1384-K1387 PolarHBondContact O-N 2.82Å; L1384-Q1388 VanDerWaalsContact O-CB 3.3Å; L1384-Q1388 WeakPolarHBondContact O-CB 3.44Å; L1384-Q1388 PolarHBondContact O-N 2.77Å |
| 1385 | S | 38.3 | Very low | 46.8 | Very low | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.5 | -60.1 | -174.3 | -163.3 | 0 | 0 | 0 | 0 | 111 | S1382 S1383 K1387 Q1388 D1389 | S1382-S1385 WeakPolarHBondContact O-CB 3.26Å; S1382-S1385 PolarHBondContact O-N 3.46Å; S1382-S1385 VanDerWaalsContact O-N 3.1Å; S1383-S1385 VanDerWaalsContact C-N 3.33Å; S1385-K1387 VanDerWaalsContact C-N 3.28Å; S1385-K1387 PolarHBondContact O-N 3.17Å; S1385-K1387 VanDerWaalsContact O-N 3.13Å; S1385-Q1388 CarbonylContact O-C 3.55Å; S1385-Q1388 WeakPolarHBondContact O-CA 3.41Å; S1385-Q1388 WeakPolarHBondContact O-CB 3.29Å; S1385-Q1388 PolarHBondContact O-N 2.84Å; S1385-D1389 WeakPolarHBondContact O-CB 3.36Å; S1385-D1389 VanDerWaalsContact O-CG 3.25Å; S1385-D1389 PolarHBondContact O-N 3.14Å; S1385-D1389 PolarHBondContact OG-OD2 3.07Å |
| 1386 | M | 41.9 | Very low | 49.7 | Very low | 120 Ų | 120 | 97.4 Ų | 97.4 | 59% | 0.591 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.2 | -28.3 | -173 | -78.2 | -164.4 | 169.1 | 0 | 0 | 114.8 | K1390 | M1386-K1390 PolarHBondContact O-N 2.91Å |
| 1387 | K | 44.8 | Very low | 52.6 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.8 | -43.7 | 172.8 | -150.3 | -168.8 | -172.9 | -127.5 | 0 | 110.3 | L1384 S1385 K1390 L1391 D1419 | L1384-K1387 PolarHBondContact O-N 2.82Å; S1385-K1387 VanDerWaalsContact C-N 3.28Å; S1385-K1387 PolarHBondContact O-N 3.17Å; S1385-K1387 VanDerWaalsContact O-N 3.13Å; K1387-K1390 PolarHBondContact O-N 2.87Å; K1387-L1391 WeakPolarHBondContact O-CB 3.44Å; K1387-L1391 PolarHBondContact O-N 3.26Å; K1387-D1419 IonicContact NZ-OD2 3.61Å; K1387-D1419 PolarHBondContact NZ-OD2 3.4Å |
| 1388 | Q | 59.2 | Low | 55.6 | Low | 106 Ų | 106 | 87.8 Ų | 87.8 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.6 | -162.8 | 68.1 | 22.9 | 0 | 0 | 111.7 | L1384 S1385 K1390 L1391 T1392 | L1384-Q1388 VanDerWaalsContact O-CB 3.3Å; L1384-Q1388 WeakPolarHBondContact O-CB 3.44Å; L1384-Q1388 PolarHBondContact O-N 2.77Å; S1385-Q1388 CarbonylContact O-C 3.55Å; S1385-Q1388 WeakPolarHBondContact O-CA 3.41Å; S1385-Q1388 WeakPolarHBondContact O-CB 3.29Å; S1385-Q1388 PolarHBondContact O-N 2.84Å; Q1388-K1390 PolarHBondContact O-N 2.9Å; Q1388-L1391 CarbonylContact O-C 3.58Å; Q1388-L1391 WeakPolarHBondContact O-CB 3.36Å; Q1388-L1391 PolarHBondContact O-N 2.85Å; Q1388-L1391 VanDerWaalsContact O-N 3.16Å; Q1388-T1392 WeakPolarHBondContact O-CB 3.48Å; Q1388-T1392 PolarHBondContact O-N 2.82Å; Q1388-T1392 PolarHBondContact O-OG1 2.95Å |
| 1389 | D | 66 | Low | 58.4 | Low | 78 Ų | 78 | 83.9 Ų | 83.9 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 178.5 | -72.2 | -53.4 | 0 | 0 | 0 | 111.7 | S1385 R1393 | S1385-D1389 WeakPolarHBondContact O-CB 3.36Å; S1385-D1389 VanDerWaalsContact O-CG 3.25Å; S1385-D1389 PolarHBondContact O-N 3.14Å; S1385-D1389 PolarHBondContact OG-OD2 3.07Å; D1389-R1393 WeakPolarHBondContact O-CB 3.31Å; D1389-R1393 VanDerWaalsContact O-CG 3.26Å; D1389-R1393 WeakPolarHBondContact O-CG 3.39Å; D1389-R1393 PolarHBondContact O-N 2.63Å |
| 1390 | K | 67.2 | Low | 61.2 | Low | 146 Ų | 146 | 82 Ų | 82 | 64% | 0.635 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 173.3 | -169.6 | -178.4 | 178.2 | -172.6 | 0 | 111 | M1386 K1387 Q1388 R1393 L1394 | M1386-K1390 PolarHBondContact O-N 2.91Å; K1387-K1390 PolarHBondContact O-N 2.87Å; Q1388-K1390 PolarHBondContact O-N 2.9Å; K1390-R1393 PolarHBondContact O-N 3.35Å; K1390-L1394 HydrophobicContact CG-CD1 4.31Å; K1390-L1394 WeakPolarHBondContact O-CG 3.32Å; K1390-L1394 PolarHBondContact O-N 2.93Å |
| 1391 | L | 70.1 | Confident | 64.1 | Low | 33 Ų | 33 | 80.1 Ų | 80.1 | 17% | 0.173 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 178.2 | -149.2 | 79.2 | 0 | 0 | 0 | 111.5 | K1387 Q1388 R1393 L1394 F1395 D1419 L1422 | K1387-L1391 WeakPolarHBondContact O-CB 3.44Å; K1387-L1391 PolarHBondContact O-N 3.26Å; Q1388-L1391 CarbonylContact O-C 3.58Å; Q1388-L1391 WeakPolarHBondContact O-CB 3.36Å; Q1388-L1391 PolarHBondContact O-N 2.85Å; Q1388-L1391 VanDerWaalsContact O-N 3.16Å; L1391-R1393 VanDerWaalsContact C-N 3.35Å; L1391-R1393 PolarHBondContact O-N 2.95Å; L1391-L1394 PolarHBondContact O-N 2.89Å; L1391-F1395 WeakPolarHBondContact O-CB 3.36Å; L1391-F1395 PolarHBondContact O-N 2.86Å; L1391-D1419 HydrophobicContact CD1-CB 3.93Å; L1391-L1422 HydrophobicContact CD1-CB 3.94Å; L1391-L1422 HydrophobicContact CD1-CD2 3.73Å; L1391-L1422 HydrophobicContact CD1-CG 4.36Å; L1391-L1422 HydrophobicContact CD2-CB 4.44Å; L1391-L1422 HydrophobicContact CG-CB 4.17Å; L1391-L1422 HydrophobicContact CG-CD1 4.4Å; L1391-L1422 HydrophobicContact CG-CD2 4.07Å; L1391-L1422 HydrophobicContact CG-CG 4.44Å |
| 1392 | T | 76.8 | Confident | 66.8 | Low | 80 Ų | 80 | 76.4 Ų | 76.4 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | Q1388 G1396 | Q1388-T1392 WeakPolarHBondContact O-CB 3.48Å; Q1388-T1392 PolarHBondContact O-N 2.82Å; Q1388-T1392 PolarHBondContact O-OG1 2.95Å; T1392-G1396 PolarHBondContact O-N 3.22Å |
| 1393 | R | 79.2 | Confident | 69.4 | Low | 190 Ų | 190 | 82.3 Ų | 82.3 | 72% | 0.717 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.6 | -45.4 | 171.1 | -76.4 | 176 | -177 | -158.7 | 0.9 | 112.4 | D1389 K1390 L1391 G1396 Q1397 | D1389-R1393 WeakPolarHBondContact O-CB 3.31Å; D1389-R1393 VanDerWaalsContact O-CG 3.26Å; D1389-R1393 WeakPolarHBondContact O-CG 3.39Å; D1389-R1393 PolarHBondContact O-N 2.63Å; K1390-R1393 PolarHBondContact O-N 3.35Å; L1391-R1393 VanDerWaalsContact C-N 3.35Å; L1391-R1393 PolarHBondContact O-N 2.95Å; R1393-G1396 PolarHBondContact O-N 3.44Å; R1393-Q1397 WeakPolarHBondContact O-CG 3.32Å; R1393-Q1397 PolarHBondContact O-N 2.94Å |
| 1394 | L | 80.6 | Confident | 71.8 | Confident | 32 Ų | 32 | 81.6 Ų | 81.6 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.3 | -71.9 | 169.9 | 0 | 0 | 0 | 111.5 | K1390 L1391 Q1397 A1398 L1413 L1422 | K1390-L1394 HydrophobicContact CG-CD1 4.31Å; K1390-L1394 WeakPolarHBondContact O-CG 3.32Å; K1390-L1394 PolarHBondContact O-N 2.93Å; L1391-L1394 PolarHBondContact O-N 2.89Å; L1394-Q1397 PolarHBondContact O-N 3.42Å; L1394-A1398 WeakPolarHBondContact O-CB 3.09Å; L1394-A1398 PolarHBondContact O-N 2.76Å; L1394-L1413 HydrophobicContact CD2-CD1 3.8Å; L1394-L1413 HydrophobicContact CD2-CD2 4.43Å; L1394-L1413 HydrophobicContact CD2-CG 4.12Å; L1394-L1422 HydrophobicContact CB-CD2 3.93Å; L1394-L1422 HydrophobicContact CD1-CD2 4.38Å |
| 1395 | F | 84.7 | Confident | 74.1 | Confident | 55 Ų | 55 | 80 Ų | 80 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 173.6 | -170.4 | -115.4 | 0 | 0 | 0 | 112 | L1391 Q1397 A1398 Q1399 L1422 D1425 I1426 | L1391-F1395 WeakPolarHBondContact O-CB 3.36Å; L1391-F1395 PolarHBondContact O-N 2.86Å; F1395-Q1397 VanDerWaalsContact C-N 3.34Å; F1395-Q1397 PolarHBondContact O-N 2.91Å; F1395-A1398 PolarHBondContact O-N 2.9Å; F1395-Q1399 HydrophobicContact CD1-CG 4.5Å; F1395-Q1399 HydrophobicContact CE1-CG 4.2Å; F1395-Q1399 VanDerWaalsContact CE1-NE2 3.35Å; F1395-Q1399 HydrophobicContact CE2-CG 4.46Å; F1395-Q1399 HydrophobicContact CZ-CG 4.18Å; F1395-Q1399 WeakPolarHBondContact O-CB 3.48Å; F1395-Q1399 WeakPolarHBondContact O-CG 3.36Å; F1395-Q1399 PolarHBondContact O-N 3.17Å; F1395-L1422 HydrophobicContact CB-CD1 3.68Å; F1395-L1422 HydrophobicContact CD2-CD1 3.66Å; F1395-L1422 HydrophobicContact CG-CD1 4.1Å; F1395-D1425 HydrophobicContact CE2-CB 3.91Å; F1395-I1426 HydrophobicContact CD2-CD1 4.41Å; F1395-I1426 HydrophobicContact CD2-CG1 3.82Å; F1395-I1426 HydrophobicContact CE2-CG1 4.05Å |
| 1396 | G | 83.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1392 R1393 A1400 | T1392-G1396 PolarHBondContact O-N 3.22Å; R1393-G1396 PolarHBondContact O-N 3.44Å; G1396-A1400 PolarHBondContact O-N 3.18Å; G1396-A1400 VanDerWaalsContact O-N 3.11Å |
| 1397 | Q | 83.5 | Confident | 78.4 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 173.1 | -75.5 | 175.9 | -35.9 | 0 | 0 | 111.7 | Y904 R1393 L1394 F1395 Q1399 A1400 F1401 L1413 | Y904-Q1397 PolarHBondContact OH-NE2 3Å; R1393-Q1397 WeakPolarHBondContact O-CG 3.32Å; R1393-Q1397 PolarHBondContact O-N 2.94Å; L1394-Q1397 PolarHBondContact O-N 3.42Å; F1395-Q1397 VanDerWaalsContact C-N 3.34Å; F1395-Q1397 PolarHBondContact O-N 2.91Å; Q1397-Q1399 VanDerWaalsContact C-N 3.35Å; Q1397-Q1399 PolarHBondContact O-N 3.07Å; Q1397-A1400 WeakPolarHBondContact O-CA 3.27Å; Q1397-A1400 WeakPolarHBondContact O-CB 3.4Å; Q1397-A1400 PolarHBondContact O-N 3.03Å; Q1397-F1401 WeakPolarHBondContact O-CD2 3.44Å; Q1397-F1401 PolarHBondContact O-N 3.42Å; Q1397-L1413 HydrophobicContact CB-CD2 3.65Å |
| 1398 | A | 84.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1394 F1395 A1400 F1401 I1402 L1413 I1426 | L1394-A1398 WeakPolarHBondContact O-CB 3.09Å; L1394-A1398 PolarHBondContact O-N 2.76Å; F1395-A1398 PolarHBondContact O-N 2.9Å; A1398-A1400 VanDerWaalsContact C-N 3.25Å; A1398-A1400 PolarHBondContact O-N 2.98Å; A1398-F1401 PolarHBondContact O-N 3.4Å; A1398-F1401 VanDerWaalsContact O-N 3.13Å; A1398-I1402 VanDerWaalsContact O-CG1 3.31Å; A1398-I1402 WeakPolarHBondContact O-CG1 3.4Å; A1398-I1402 PolarHBondContact O-N 2.81Å; A1398-L1413 HydrophobicContact CB-CD2 4.36Å; A1398-I1426 HydrophobicContact CB-CD1 3.38Å; A1398-I1426 HydrophobicContact CB-CG1 3.84Å |
| 1399 | Q | 86.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -25.8 | 174 | -73.8 | -161.4 | -17.1 | 0 | 0 | 113.7 | F1395 Q1397 R1403 D1429 | F1395-Q1399 HydrophobicContact CD1-CG 4.5Å; F1395-Q1399 HydrophobicContact CE1-CG 4.2Å; F1395-Q1399 VanDerWaalsContact CE1-NE2 3.35Å; F1395-Q1399 HydrophobicContact CE2-CG 4.46Å; F1395-Q1399 HydrophobicContact CZ-CG 4.18Å; F1395-Q1399 WeakPolarHBondContact O-CB 3.48Å; F1395-Q1399 WeakPolarHBondContact O-CG 3.36Å; F1395-Q1399 PolarHBondContact O-N 3.17Å; Q1397-Q1399 VanDerWaalsContact C-N 3.35Å; Q1397-Q1399 PolarHBondContact O-N 3.07Å; Q1399-R1403 WeakPolarHBondContact O-CB 3.41Å; Q1399-R1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-R1403 PolarHBondContact O-N 2.81Å; Q1399-D1429 PolarHBondContact NE2-OD2 2.88Å |
| 1400 | A | 86.3 | Confident | 82.5 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1396 Q1397 A1398 R1403 S1404 | G1396-A1400 PolarHBondContact O-N 3.18Å; G1396-A1400 VanDerWaalsContact O-N 3.11Å; Q1397-A1400 WeakPolarHBondContact O-CA 3.27Å; Q1397-A1400 WeakPolarHBondContact O-CB 3.4Å; Q1397-A1400 PolarHBondContact O-N 3.03Å; A1398-A1400 VanDerWaalsContact C-N 3.25Å; A1398-A1400 PolarHBondContact O-N 2.98Å; A1400-R1403 PolarHBondContact O-N 2.82Å; A1400-S1404 PolarHBondContact O-N 3.49Å; A1400-S1404 VanDerWaalsContact O-N 3.07Å; A1400-S1404 PolarHBondContact O-OG 3.42Å |
| 1401 | F | 86.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 171.6 | -70.2 | -59.9 | 0 | 0 | 0 | 112 | Q1397 A1398 R1403 S1404 N1405 R1406 D1409 A1410 L1413 | Q1397-F1401 WeakPolarHBondContact O-CD2 3.44Å; Q1397-F1401 PolarHBondContact O-N 3.42Å; A1398-F1401 PolarHBondContact O-N 3.4Å; A1398-F1401 VanDerWaalsContact O-N 3.13Å; F1401-R1403 PolarHBondContact O-N 3.36Å; F1401-S1404 WeakPolarHBondContact CA-OG 3.35Å; F1401-S1404 CarbonylContact O-C 3.56Å; F1401-S1404 PolarHBondContact O-N 2.86Å; F1401-S1404 VanDerWaalsContact O-N 3.13Å; F1401-S1404 PolarHBondContact O-OG 3.19Å; F1401-S1404 VanDerWaalsContact O-OG 3.09Å; F1401-N1405 PolarHBondContact O-N 3.01Å; F1401-N1405 VanDerWaalsContact O-N 3.17Å; F1401-R1406 HydrophobicContact CB-CB 4.16Å; F1401-R1406 HydrophobicContact CD1-CB 4.09Å; F1401-R1406 PolarHBondContact O-N 3.3Å; F1401-D1409 HydrophobicContact CB-CB 4.38Å; F1401-D1409 HydrophobicContact CD1-CB 3.82Å; F1401-D1409 HydrophobicContact CD2-CB 4.45Å; F1401-D1409 HydrophobicContact CE1-CB 4.17Å; F1401-D1409 HydrophobicContact CG-CB 3.98Å; F1401-A1410 HydrophobicContact CB-CB 3.76Å; F1401-L1413 HydrophobicContact CD2-CD2 4.31Å; F1401-L1413 HydrophobicContact CE2-CD2 4.2Å |
| 1402 | I | 85.4 | Confident | 84.4 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.1 | -63.6 | 167.4 | 0 | 0 | 0 | 111.3 | A1398 S1404 N1405 L1407 A1410 I1426 D1429 I1430 | A1398-I1402 VanDerWaalsContact O-CG1 3.31Å; A1398-I1402 WeakPolarHBondContact O-CG1 3.4Å; A1398-I1402 PolarHBondContact O-N 2.81Å; I1402-S1404 PolarHBondContact O-N 3.15Å; I1402-N1405 PolarHBondContact O-N 3.43Å; I1402-L1407 HydrophobicContact CG2-CD2 4.44Å; I1402-A1410 HydrophobicContact CD1-CB 4.44Å; I1402-A1410 HydrophobicContact CG1-CB 3.74Å; I1402-I1426 HydrophobicContact CD1-CG2 4.41Å; I1402-D1429 HydrophobicContact CD1-CB 3.83Å; I1402-I1430 HydrophobicContact CD1-CD1 4.16Å; I1402-I1430 HydrophobicContact CD1-CG1 3.63Å; I1402-I1430 HydrophobicContact CG1-CD1 4.2Å; I1402-I1430 HydrophobicContact CG1-CG1 3.76Å |
| 1403 | R | 84.2 | Confident | 84.7 | Confident | 182 Ų | 182 | 59.9 Ų | 59.9 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.8 | -24.6 | 176.9 | -75.1 | 175 | -167.3 | 110.7 | 11.5 | 113.8 | Q1399 A1400 F1401 | Q1399-R1403 WeakPolarHBondContact O-CB 3.41Å; Q1399-R1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-R1403 PolarHBondContact O-N 2.81Å; A1400-R1403 PolarHBondContact O-N 2.82Å; F1401-R1403 PolarHBondContact O-N 3.36Å |
| 1404 | S | 84.4 | Confident | 85 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 14.7 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | A1400 F1401 I1402 R1406 | A1400-S1404 PolarHBondContact O-N 3.49Å; A1400-S1404 VanDerWaalsContact O-N 3.07Å; A1400-S1404 PolarHBondContact O-OG 3.42Å; F1401-S1404 WeakPolarHBondContact CA-OG 3.35Å; F1401-S1404 CarbonylContact O-C 3.56Å; F1401-S1404 PolarHBondContact O-N 2.86Å; F1401-S1404 VanDerWaalsContact O-N 3.13Å; F1401-S1404 PolarHBondContact O-OG 3.19Å; F1401-S1404 VanDerWaalsContact O-OG 3.09Å; I1402-S1404 PolarHBondContact O-N 3.15Å; S1404-R1406 PolarHBondContact O-N 3.39Å; S1404-R1406 VanDerWaalsContact O-N 3.13Å |
| 1405 | N | 83 | Confident | 85.2 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16 | -179.6 | -157.2 | 81.3 | 0 | 0 | 0 | 114.8 | F1401 I1402 L1407 | F1401-N1405 PolarHBondContact O-N 3.01Å; F1401-N1405 VanDerWaalsContact O-N 3.17Å; I1402-N1405 PolarHBondContact O-N 3.43Å; N1405-L1407 VanDerWaalsContact C-N 3.3Å; N1405-L1407 PolarHBondContact O-N 2.88Å; N1405-L1407 VanDerWaalsContact O-N 3.09Å |
| 1406 | R | 83.9 | Confident | 84.9 | Confident | 138 Ų | 138 | 52.8 Ų | 52.8 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | trans | -85.3 | 69.7 | 175.3 | -75.5 | 171.4 | 165.6 | -91.3 | -2.4 | 110.1 | F1401 S1404 V1408 D1409 A1410 | F1401-R1406 HydrophobicContact CB-CB 4.16Å; F1401-R1406 HydrophobicContact CD1-CB 4.09Å; F1401-R1406 PolarHBondContact O-N 3.3Å; S1404-R1406 PolarHBondContact O-N 3.39Å; S1404-R1406 VanDerWaalsContact O-N 3.13Å; R1406-V1408 VanDerWaalsContact C-N 3.35Å; R1406-V1408 PolarHBondContact O-N 2.82Å; R1406-D1409 HydrophobicContact CB-CB 4.09Å; R1406-D1409 WeakPolarHBondContact CD-OD2 3.23Å; R1406-D1409 IonicContact CZ-OD2 3.87Å; R1406-D1409 IonicContact NE-OD2 3.88Å; R1406-D1409 IonicContact NH1-OD2 2.85Å; R1406-D1409 PolarHBondContact NH1-OD2 2.73Å; R1406-A1410 PolarHBondContact O-N 3.32Å | ||
| 1407 | L | 86.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.9 | -31.8 | -170.5 | -55.9 | -177.1 | 0 | 0 | 0 | 113.1 | I1402 N1405 L1411 K1434 L1435 | I1402-L1407 HydrophobicContact CG2-CD2 4.44Å; N1405-L1407 VanDerWaalsContact C-N 3.3Å; N1405-L1407 PolarHBondContact O-N 2.88Å; N1405-L1407 VanDerWaalsContact O-N 3.09Å; L1407-L1411 PolarHBondContact O-N 3.4Å; L1407-K1434 HydrophobicContact CD1-CB 3.73Å; L1407-L1435 HydrophobicContact CB-CD1 3.99Å |
| 1408 | V | 86.1 | Confident | 83.9 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.3 | -49.9 | 177.7 | -174 | 0 | 0 | 0 | 0 | 110.7 | R1406 A1410 L1411 E1412 L1435 H1441 I1443 I1447 | R1406-V1408 VanDerWaalsContact C-N 3.35Å; R1406-V1408 PolarHBondContact O-N 2.82Å; V1408-A1410 PolarHBondContact O-N 3.39Å; V1408-L1411 WeakPolarHBondContact O-CA 3.47Å; V1408-L1411 WeakPolarHBondContact O-CB 3.3Å; V1408-L1411 PolarHBondContact O-N 3.25Å; V1408-E1412 HydrophobicContact CG1-CG 4.39Å; V1408-E1412 PolarHBondContact O-N 2.9Å; V1408-L1435 HydrophobicContact CG2-CD1 4.25Å; V1408-H1441 HydrophobicContact CG2-CB 3.98Å; V1408-I1443 HydrophobicContact CG2-CG1 4.27Å; V1408-I1447 HydrophobicContact CG1-CD1 3.67Å |
| 1409 | D | 84.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.7 | -40.8 | 175.6 | -50.1 | 13 | 0 | 0 | 0 | 112 | F1401 R1406 L1413 | F1401-D1409 HydrophobicContact CB-CB 4.38Å; F1401-D1409 HydrophobicContact CD1-CB 3.82Å; F1401-D1409 HydrophobicContact CD2-CB 4.45Å; F1401-D1409 HydrophobicContact CE1-CB 4.17Å; F1401-D1409 HydrophobicContact CG-CB 3.98Å; R1406-D1409 HydrophobicContact CB-CB 4.09Å; R1406-D1409 WeakPolarHBondContact CD-OD2 3.23Å; R1406-D1409 IonicContact CZ-OD2 3.87Å; R1406-D1409 IonicContact NE-OD2 3.88Å; R1406-D1409 IonicContact NH1-OD2 2.85Å; R1406-D1409 PolarHBondContact NH1-OD2 2.73Å; D1409-L1413 WeakPolarHBondContact O-CB 3.26Å; D1409-L1413 PolarHBondContact O-N 3.09Å |
| 1410 | A | 86.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1401 I1402 R1406 V1408 A1414 I1430 | F1401-A1410 HydrophobicContact CB-CB 3.76Å; I1402-A1410 HydrophobicContact CD1-CB 4.44Å; I1402-A1410 HydrophobicContact CG1-CB 3.74Å; R1406-A1410 PolarHBondContact O-N 3.32Å; V1408-A1410 PolarHBondContact O-N 3.39Å; A1410-A1414 PolarHBondContact O-N 3.15Å; A1410-I1430 HydrophobicContact CB-CD1 4.18Å |
| 1411 | L | 87.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.2 | -40.7 | -179.2 | -173.3 | 67.5 | 0 | 0 | 0 | 112 | L1407 V1408 L1413 A1414 L1415 L1423 L1435 I1447 L1451 | L1407-L1411 PolarHBondContact O-N 3.4Å; V1408-L1411 WeakPolarHBondContact O-CA 3.47Å; V1408-L1411 WeakPolarHBondContact O-CB 3.3Å; V1408-L1411 PolarHBondContact O-N 3.25Å; L1411-L1413 VanDerWaalsContact C-N 3.34Å; L1411-L1413 PolarHBondContact O-N 3.46Å; L1411-A1414 WeakPolarHBondContact O-CB 3.36Å; L1411-A1414 PolarHBondContact O-N 3.13Å; L1411-A1414 VanDerWaalsContact O-N 3.16Å; L1411-L1415 HydrophobicContact CG-CD1 4.06Å; L1411-L1415 HydrophobicContact CG-CG 4.48Å; L1411-L1415 WeakPolarHBondContact O-CG 3.48Å; L1411-L1415 PolarHBondContact O-N 2.78Å; L1411-L1423 HydrophobicContact CD1-CD1 3.93Å; L1411-L1435 HydrophobicContact CD2-CD2 3.95Å; L1411-I1447 HydrophobicContact CD2-CG2 4.31Å; L1411-L1451 HydrophobicContact CD1-CD1 4.26Å; L1411-L1451 HydrophobicContact CD2-CD2 4.38Å |
| 1412 | E | 87.4 | Confident | 83.3 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 173.6 | -71.8 | -161.8 | 136.3 | 0 | 0 | 111.2 | V1408 A1414 L1415 V1416 I1447 | V1408-E1412 HydrophobicContact CG1-CG 4.39Å; V1408-E1412 PolarHBondContact O-N 2.9Å; E1412-A1414 PolarHBondContact O-N 2.87Å; E1412-L1415 PolarHBondContact O-N 3.1Å; E1412-V1416 WeakPolarHBondContact O-CB 3.48Å; E1412-V1416 VanDerWaalsContact O-CG2 3.3Å; E1412-V1416 WeakPolarHBondContact O-CG2 3.49Å; E1412-V1416 PolarHBondContact O-N 3.34Å; E1412-I1447 HydrophobicContact CG-CD1 3.81Å; E1412-I1447 HydrophobicContact CG-CG1 4.24Å; E1412-I1447 HydrophobicContact CG-CG2 4.37Å; E1412-I1447 VanDerWaalsContact OE1-CD1 3.24Å; E1412-I1447 WeakPolarHBondContact OE1-CD1 3.02Å |
| 1413 | L | 84.2 | Confident | 83.5 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -35.7 | 176.2 | -171.3 | 68.5 | 0 | 0 | 0 | 112.2 | L1394 Q1397 A1398 F1401 D1409 L1411 | L1394-L1413 HydrophobicContact CD2-CD1 3.8Å; L1394-L1413 HydrophobicContact CD2-CD2 4.43Å; L1394-L1413 HydrophobicContact CD2-CG 4.12Å; Q1397-L1413 HydrophobicContact CB-CD2 3.65Å; A1398-L1413 HydrophobicContact CB-CD2 4.36Å; F1401-L1413 HydrophobicContact CD2-CD2 4.31Å; F1401-L1413 HydrophobicContact CE2-CD2 4.2Å; D1409-L1413 WeakPolarHBondContact O-CB 3.26Å; D1409-L1413 PolarHBondContact O-N 3.09Å; L1411-L1413 VanDerWaalsContact C-N 3.34Å; L1411-L1413 PolarHBondContact O-N 3.46Å |
| 1414 | A | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -49.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1410 L1411 E1412 V1416 S1417 L1423 I1426 | A1410-A1414 PolarHBondContact O-N 3.15Å; L1411-A1414 WeakPolarHBondContact O-CB 3.36Å; L1411-A1414 PolarHBondContact O-N 3.13Å; L1411-A1414 VanDerWaalsContact O-N 3.16Å; E1412-A1414 PolarHBondContact O-N 2.87Å; A1414-V1416 PolarHBondContact O-N 3.05Å; A1414-S1417 VanDerWaalsContact O-CB 3.27Å; A1414-S1417 WeakPolarHBondContact O-CB 3.47Å; A1414-S1417 PolarHBondContact O-N 3.33Å; A1414-S1417 VanDerWaalsContact O-N 3.13Å; A1414-S1417 PolarHBondContact O-OG 2.94Å; A1414-L1423 HydrophobicContact CB-CD1 3.73Å; A1414-I1426 HydrophobicContact CB-CB 4.24Å; A1414-I1426 HydrophobicContact CB-CD1 3.54Å; A1414-I1426 HydrophobicContact CB-CG1 4.48Å; A1414-I1426 HydrophobicContact CB-CG2 4.09Å |
| 1415 | L | 85.2 | Confident | 83.8 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | -178.3 | -68 | 167.7 | 0 | 0 | 0 | 111.9 | L1411 E1412 S1417 T1418 L1423 I1447 L1451 Q1454 | L1411-L1415 HydrophobicContact CG-CD1 4.06Å; L1411-L1415 HydrophobicContact CG-CG 4.48Å; L1411-L1415 WeakPolarHBondContact O-CG 3.48Å; L1411-L1415 PolarHBondContact O-N 2.78Å; E1412-L1415 PolarHBondContact O-N 3.1Å; L1415-S1417 PolarHBondContact O-N 3.11Å; L1415-T1418 PolarHBondContact O-N 3.08Å; L1415-L1423 HydrophobicContact CD2-CD1 3.77Å; L1415-L1423 HydrophobicContact CD2-CD2 3.87Å; L1415-L1423 HydrophobicContact CD2-CG 4.49Å; L1415-L1423 HydrophobicContact CG-CD1 4.1Å; L1415-I1447 HydrophobicContact CD1-CG2 3.63Å; L1415-L1451 HydrophobicContact CD1-CB 4.32Å; L1415-L1451 HydrophobicContact CD2-CB 4.29Å; L1415-L1451 HydrophobicContact CD2-CD1 4.27Å; L1415-Q1454 HydrophobicContact CD2-CB 4.36Å; L1415-Q1454 HydrophobicContact CD2-CG 4.4Å; L1415-Q1454 PolarHBondContact O-NE2 2.94Å |
| 1416 | V | 78.3 | Confident | 84 | Confident | 121 Ų | 121 | 40.6 Ų | 40.6 | 73% | 0.733 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.5 | -23.1 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | E1412 A1414 T1418 | E1412-V1416 WeakPolarHBondContact O-CB 3.48Å; E1412-V1416 VanDerWaalsContact O-CG2 3.3Å; E1412-V1416 WeakPolarHBondContact O-CG2 3.49Å; E1412-V1416 PolarHBondContact O-N 3.34Å; A1414-V1416 PolarHBondContact O-N 3.05Å; V1416-T1418 VanDerWaalsContact C-N 3.31Å; V1416-T1418 PolarHBondContact O-N 3.14Å |
| 1417 | S | 74.3 | Confident | 84.2 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -26.3 | 178.1 | 82.9 | 0 | 0 | 0 | 0 | 113.9 | A1414 L1415 D1419 | A1414-S1417 VanDerWaalsContact O-CB 3.27Å; A1414-S1417 WeakPolarHBondContact O-CB 3.47Å; A1414-S1417 PolarHBondContact O-N 3.33Å; A1414-S1417 VanDerWaalsContact O-N 3.13Å; A1414-S1417 PolarHBondContact O-OG 2.94Å; L1415-S1417 PolarHBondContact O-N 3.11Å; S1417-D1419 PolarHBondContact O-N 2.84Å; S1417-D1419 VanDerWaalsContact O-N 3.14Å; S1417-D1419 PolarHBondContact OG-N 3.24Å |
| 1418 | T | 73.2 | Confident | 84.4 | Confident | 115 Ų | 115 | 37.7 Ų | 37.7 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | trans | 58.1 | 7.5 | -170.4 | 67.3 | 0 | 0 | 0 | 0 | 116.1 | L1415 V1416 | L1415-T1418 PolarHBondContact O-N 3.08Å; V1416-T1418 VanDerWaalsContact C-N 3.31Å; V1416-T1418 PolarHBondContact O-N 3.14Å | ||
| 1419 | D | 80.2 | Confident | 84.4 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | trans | -96.2 | 98.6 | -178.3 | -150.9 | -54.8 | 0 | 0 | 0 | 109.8 | K1387 L1391 S1417 P1421 L1422 L1423 | K1387-D1419 IonicContact NZ-OD2 3.61Å; K1387-D1419 PolarHBondContact NZ-OD2 3.4Å; L1391-D1419 HydrophobicContact CD1-CB 3.93Å; S1417-D1419 PolarHBondContact O-N 2.84Å; S1417-D1419 VanDerWaalsContact O-N 3.14Å; S1417-D1419 PolarHBondContact OG-N 3.24Å; D1419-P1421 WeakPolarHBondContact OD1-CD 3.42Å; D1419-L1422 HydrophobicContact CB-CB 4.31Å; D1419-L1422 WeakPolarHBondContact O-CB 3.49Å; D1419-L1422 PolarHBondContact O-N 2.92Å; D1419-L1423 PolarHBondContact O-N 2.99Å; D1419-L1423 VanDerWaalsContact O-N 3.12Å | ||
| 1420 | Q | 83.8 | Confident | 84.5 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -39.5 | -171.9 | -172.3 | -176.3 | 72.8 | 0 | 0 | 114.4 | L1422 L1423 L1424 Q1454 | Q1420-L1422 PolarHBondContact O-N 3.04Å; Q1420-L1423 PolarHBondContact O-N 3.32Å; Q1420-L1424 HydrophobicContact CG-CD1 4.15Å; Q1420-L1424 HydrophobicContact CG-CG 4.35Å; Q1420-L1424 WeakPolarHBondContact O-CG 3.35Å; Q1420-L1424 PolarHBondContact O-N 3.41Å; Q1420-Q1454 PolarHBondContact NE2-O 3Å |
| 1421 | P | 81.9 | Confident | 84.4 | Confident | 75 Ų | 75 | 41.5 Ų | 41.5 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50.8 | -49 | 168.2 | -30.9 | 35.9 | 0 | 0 | 0 | 114.1 | D1419 L1423 L1424 D1425 | D1419-P1421 WeakPolarHBondContact OD1-CD 3.42Å; P1421-L1423 PolarHBondContact O-N 3.37Å; P1421-L1424 PolarHBondContact O-N 3.15Å; P1421-L1424 VanDerWaalsContact O-N 3.16Å; P1421-D1425 PolarHBondContact O-N 3.44Å |
| 1422 | L | 84.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 179.2 | 176.1 | 62.4 | 0 | 0 | 0 | 111.9 | L1391 L1394 F1395 D1419 Q1420 D1425 I1426 | L1391-L1422 HydrophobicContact CD1-CB 3.94Å; L1391-L1422 HydrophobicContact CD1-CD2 3.73Å; L1391-L1422 HydrophobicContact CD1-CG 4.36Å; L1391-L1422 HydrophobicContact CD2-CB 4.44Å; L1391-L1422 HydrophobicContact CG-CB 4.17Å; L1391-L1422 HydrophobicContact CG-CD1 4.4Å; L1391-L1422 HydrophobicContact CG-CD2 4.07Å; L1391-L1422 HydrophobicContact CG-CG 4.44Å; L1394-L1422 HydrophobicContact CB-CD2 3.93Å; L1394-L1422 HydrophobicContact CD1-CD2 4.38Å; F1395-L1422 HydrophobicContact CB-CD1 3.68Å; F1395-L1422 HydrophobicContact CD2-CD1 3.66Å; F1395-L1422 HydrophobicContact CG-CD1 4.1Å; D1419-L1422 HydrophobicContact CB-CB 4.31Å; D1419-L1422 WeakPolarHBondContact O-CB 3.49Å; D1419-L1422 PolarHBondContact O-N 2.92Å; Q1420-L1422 PolarHBondContact O-N 3.04Å; L1422-D1425 PolarHBondContact O-N 3.36Å; L1422-I1426 HydrophobicContact CD1-CD1 3.72Å; L1422-I1426 HydrophobicContact CD1-CG1 4.19Å; L1422-I1426 HydrophobicContact CG-CD1 3.87Å; L1422-I1426 WeakPolarHBondContact O-CB 3.36Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.38Å; L1422-I1426 PolarHBondContact O-N 3.37Å |
| 1423 | L | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 172.8 | 179 | 66.9 | 0 | 0 | 0 | 111.6 | L1411 A1414 L1415 D1419 Q1420 P1421 I1426 C1427 L1451 Q1454 L1455 | L1411-L1423 HydrophobicContact CD1-CD1 3.93Å; A1414-L1423 HydrophobicContact CB-CD1 3.73Å; L1415-L1423 HydrophobicContact CD2-CD1 3.77Å; L1415-L1423 HydrophobicContact CD2-CD2 3.87Å; L1415-L1423 HydrophobicContact CD2-CG 4.49Å; L1415-L1423 HydrophobicContact CG-CD1 4.1Å; D1419-L1423 PolarHBondContact O-N 2.99Å; D1419-L1423 VanDerWaalsContact O-N 3.12Å; Q1420-L1423 PolarHBondContact O-N 3.32Å; P1421-L1423 PolarHBondContact O-N 3.37Å; L1423-I1426 PolarHBondContact O-N 3.05Å; L1423-C1427 VanDerWaalsContact O-CB 3.22Å; L1423-C1427 WeakPolarHBondContact O-CB 3.34Å; L1423-C1427 PolarHBondContact O-N 3.42Å; L1423-C1427 PolarHBondContact O-SG 3.4Å; L1423-L1451 HydrophobicContact CD1-CD1 4.43Å; L1423-Q1454 HydrophobicContact CD2-CB 3.81Å; L1423-L1455 HydrophobicContact CD2-CD2 3.96Å; L1423-L1455 HydrophobicContact CD2-CG 4.46Å |
| 1424 | L | 88.2 | Confident | 84 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 179.3 | -72 | 171.2 | 0 | 0 | 0 | 112.2 | Q1420 P1421 C1427 N1428 L1455 L1466 K1467 | Q1420-L1424 HydrophobicContact CG-CD1 4.15Å; Q1420-L1424 HydrophobicContact CG-CG 4.35Å; Q1420-L1424 WeakPolarHBondContact O-CG 3.35Å; Q1420-L1424 PolarHBondContact O-N 3.41Å; P1421-L1424 PolarHBondContact O-N 3.15Å; P1421-L1424 VanDerWaalsContact O-N 3.16Å; L1424-C1427 PolarHBondContact O-N 2.93Å; L1424-N1428 PolarHBondContact O-N 3.03Å; L1424-N1428 PolarHBondContact O-ND2 3.32Å; L1424-L1455 HydrophobicContact CD2-CD2 4.06Å; L1424-L1466 HydrophobicContact CD2-CD2 4.09Å; L1424-K1467 HydrophobicContact CD2-CG 3.94Å |
| 1425 | D | 86.1 | Confident | 83.9 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.7 | -67.9 | -21.9 | 0 | 0 | 0 | 111.3 | F1395 P1421 L1422 C1427 N1428 D1429 | F1395-D1425 HydrophobicContact CE2-CB 3.91Å; P1421-D1425 PolarHBondContact O-N 3.44Å; L1422-D1425 PolarHBondContact O-N 3.36Å; D1425-C1427 PolarHBondContact O-N 3.35Å; D1425-N1428 PolarHBondContact O-N 3.12Å; D1425-N1428 VanDerWaalsContact O-N 3.15Å; D1425-D1429 PolarHBondContact O-N 2.82Å |
| 1426 | I | 87.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.2 | -70.5 | 168.3 | 0 | 0 | 0 | 111.4 | F1395 A1398 I1402 A1414 L1422 L1423 N1428 D1429 I1430 | F1395-I1426 HydrophobicContact CD2-CD1 4.41Å; F1395-I1426 HydrophobicContact CD2-CG1 3.82Å; F1395-I1426 HydrophobicContact CE2-CG1 4.05Å; A1398-I1426 HydrophobicContact CB-CD1 3.38Å; A1398-I1426 HydrophobicContact CB-CG1 3.84Å; I1402-I1426 HydrophobicContact CD1-CG2 4.41Å; A1414-I1426 HydrophobicContact CB-CB 4.24Å; A1414-I1426 HydrophobicContact CB-CD1 3.54Å; A1414-I1426 HydrophobicContact CB-CG1 4.48Å; A1414-I1426 HydrophobicContact CB-CG2 4.09Å; L1422-I1426 HydrophobicContact CD1-CD1 3.72Å; L1422-I1426 HydrophobicContact CD1-CG1 4.19Å; L1422-I1426 HydrophobicContact CG-CD1 3.87Å; L1422-I1426 WeakPolarHBondContact O-CB 3.36Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.38Å; L1422-I1426 PolarHBondContact O-N 3.37Å; L1423-I1426 PolarHBondContact O-N 3.05Å; I1426-N1428 VanDerWaalsContact C-N 3.27Å; I1426-N1428 PolarHBondContact O-N 3.21Å; I1426-D1429 PolarHBondContact O-N 3.16Å; I1426-I1430 HydrophobicContact CG2-CD1 3.75Å; I1426-I1430 HydrophobicContact CG2-CG1 4.47Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.42Å; I1426-I1430 PolarHBondContact O-N 2.94Å; I1426-I1430 VanDerWaalsContact O-N 3.07Å |
| 1427 | C | 89.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -21.9 | 174.9 | -77.6 | 0 | 0 | 0 | 0 | 113.7 | L1423 L1424 D1425 L1466 Y1470 | L1423-C1427 VanDerWaalsContact O-CB 3.22Å; L1423-C1427 WeakPolarHBondContact O-CB 3.34Å; L1423-C1427 PolarHBondContact O-N 3.42Å; L1423-C1427 PolarHBondContact O-SG 3.4Å; L1424-C1427 PolarHBondContact O-N 2.93Å; D1425-C1427 PolarHBondContact O-N 3.35Å; C1427-L1466 HydrophobicContact CB-CD2 3.91Å; C1427-L1466 HydrophobicContact CB-CG 4.5Å; C1427-Y1470 WeakPolarHBondContact CA-OH 3.41Å; C1427-Y1470 HydrophobicContact CB-CD2 4.09Å; C1427-Y1470 HydrophobicContact CB-CE1 4.37Å; C1427-Y1470 HydrophobicContact CB-CE2 3.51Å; C1427-Y1470 VanDerWaalsContact O-CE2 3.23Å; C1427-Y1470 WeakPolarHBondContact O-CE2 3.35Å; C1427-Y1470 PolarHBondContact O-OH 2.76Å |
| 1428 | N | 89.2 | Confident | 82.7 | Confident | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.9 | -33.3 | 170.2 | -77.1 | -70.5 | 0 | 0 | 0 | 112.1 | L1424 D1425 I1426 Q1463 L1466 | L1424-N1428 PolarHBondContact O-N 3.03Å; L1424-N1428 PolarHBondContact O-ND2 3.32Å; D1425-N1428 PolarHBondContact O-N 3.12Å; D1425-N1428 VanDerWaalsContact O-N 3.15Å; I1426-N1428 VanDerWaalsContact C-N 3.27Å; I1426-N1428 PolarHBondContact O-N 3.21Å; N1428-Q1463 PolarHBondContact ND2-OE1 3.32Å; N1428-L1466 WeakPolarHBondContact ND2-CD2 3.25Å |
| 1429 | D | 86.4 | Confident | 81.8 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.5 | -19.1 | 177.4 | -81.3 | -6.9 | 0 | 0 | 0 | 113.1 | Q1399 I1402 D1425 I1426 | Q1399-D1429 PolarHBondContact NE2-OD2 2.88Å; I1402-D1429 HydrophobicContact CD1-CB 3.83Å; D1425-D1429 PolarHBondContact O-N 2.82Å; I1426-D1429 PolarHBondContact O-N 3.16Å |
| 1430 | I | 87.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -94.4 | 131.1 | 177.8 | -66.5 | 171.9 | 0 | 0 | 0 | 111.7 | I1402 A1410 I1426 V1432 L1435 Y1470 | I1402-I1430 HydrophobicContact CD1-CD1 4.16Å; I1402-I1430 HydrophobicContact CD1-CG1 3.63Å; I1402-I1430 HydrophobicContact CG1-CD1 4.2Å; I1402-I1430 HydrophobicContact CG1-CG1 3.76Å; A1410-I1430 HydrophobicContact CB-CD1 4.18Å; I1426-I1430 HydrophobicContact CG2-CD1 3.75Å; I1426-I1430 HydrophobicContact CG2-CG1 4.47Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.42Å; I1426-I1430 PolarHBondContact O-N 2.94Å; I1426-I1430 VanDerWaalsContact O-N 3.07Å; I1430-V1432 PolarHBondContact O-N 2.89Å; I1430-L1435 HydrophobicContact CG2-CB 4.1Å; I1430-L1435 HydrophobicContact CG2-CD2 4.29Å; I1430-Y1470 WeakPolarHBondContact CB-OH 3.19Å; I1430-Y1470 PolarHBondContact O-OH 2.56Å |
| 1431 | D | 83.9 | Confident | 79.3 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -76.6 | 105.4 | 169.4 | -177.7 | -3.6 | 0 | 0 | 0 | 110.4 | N1433 K1434 L1435 | D1431-N1433 PolarHBondContact O-N 3.29Å; D1431-N1433 VanDerWaalsContact O-N 3.11Å; D1431-N1433 WeakPolarHBondContact OD1-CB 3.41Å; D1431-N1433 PolarHBondContact OD1-N 2.91Å; D1431-N1433 PolarHBondContact OD1-ND2 3.28Å; D1431-K1434 HydrophobicContact CB-CB 4.3Å; D1431-K1434 HydrophobicContact CB-CD 4.08Å; D1431-K1434 HydrophobicContact CB-CG 4.11Å; D1431-K1434 PolarHBondContact O-N 3Å; D1431-K1434 WeakPolarHBondContact OD2-CE 3.32Å; D1431-L1435 PolarHBondContact O-N 3.33Å; D1431-L1435 VanDerWaalsContact O-N 3.13Å | ||
| 1432 | V | 86.4 | Confident | 78.6 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -43.3 | -44.7 | 176 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | I1430 K1434 L1435 F1436 K1469 Y1470 E1473 | I1430-V1432 PolarHBondContact O-N 2.89Å; V1432-K1434 VanDerWaalsContact C-N 3.3Å; V1432-K1434 PolarHBondContact O-N 3.41Å; V1432-L1435 PolarHBondContact O-N 3.17Å; V1432-F1436 HydrophobicContact CG1-CD2 3.88Å; V1432-F1436 HydrophobicContact CG1-CE2 4.23Å; V1432-F1436 WeakPolarHBondContact O-CD2 3.5Å; V1432-F1436 PolarHBondContact O-N 3.18Å; V1432-K1469 HydrophobicContact CG2-CB 4.17Å; V1432-Y1470 HydrophobicContact CG2-CD1 4.42Å; V1432-Y1470 HydrophobicContact CG2-CD2 3.81Å; V1432-Y1470 HydrophobicContact CG2-CE1 4.05Å; V1432-Y1470 HydrophobicContact CG2-CE2 3.35Å; V1432-Y1470 HydrophobicContact CG2-CG 4.31Å; V1432-Y1470 VanDerWaalsContact CG2-CZ 3.49Å; V1432-E1473 HydrophobicContact CG1-CB 4.47Å; V1432-E1473 HydrophobicContact CG1-CG 3.72Å |
| 1433 | N | 82.2 | Confident | 78.4 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67 | -34.1 | -174.3 | -49.4 | -88.3 | 0 | 0 | 0 | 111.5 | D1431 S1437 | D1431-N1433 PolarHBondContact O-N 3.29Å; D1431-N1433 VanDerWaalsContact O-N 3.11Å; D1431-N1433 WeakPolarHBondContact OD1-CB 3.41Å; D1431-N1433 PolarHBondContact OD1-N 2.91Å; D1431-N1433 PolarHBondContact OD1-ND2 3.28Å; N1433-S1437 WeakPolarHBondContact O-CB 3.33Å; N1433-S1437 PolarHBondContact O-N 3.22Å; N1433-S1437 PolarHBondContact O-OG 3.05Å |
| 1434 | K | 81 | Confident | 78.2 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.1 | -34.7 | 176.7 | -66.6 | -177.5 | -174.4 | -177.9 | 0 | 112.6 | L1407 D1431 V1432 | L1407-K1434 HydrophobicContact CD1-CB 3.73Å; D1431-K1434 HydrophobicContact CB-CB 4.3Å; D1431-K1434 HydrophobicContact CB-CD 4.08Å; D1431-K1434 HydrophobicContact CB-CG 4.11Å; D1431-K1434 PolarHBondContact O-N 3Å; D1431-K1434 WeakPolarHBondContact OD2-CE 3.32Å; V1432-K1434 VanDerWaalsContact C-N 3.3Å; V1432-K1434 PolarHBondContact O-N 3.41Å |
| 1435 | L | 83.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.9 | 177 | 65.5 | 0 | 0 | 0 | 111.3 | L1407 V1408 L1411 I1430 D1431 V1432 I1443 Y1470 | L1407-L1435 HydrophobicContact CB-CD1 3.99Å; V1408-L1435 HydrophobicContact CG2-CD1 4.25Å; L1411-L1435 HydrophobicContact CD2-CD2 3.95Å; I1430-L1435 HydrophobicContact CG2-CB 4.1Å; I1430-L1435 HydrophobicContact CG2-CD2 4.29Å; D1431-L1435 PolarHBondContact O-N 3.33Å; D1431-L1435 VanDerWaalsContact O-N 3.13Å; V1432-L1435 PolarHBondContact O-N 3.17Å; L1435-I1443 HydrophobicContact CD1-CD1 3.9Å; L1435-I1443 HydrophobicContact CD1-CG1 4.43Å; L1435-I1443 HydrophobicContact CG-CD1 3.81Å; L1435-Y1470 HydrophobicContact CD2-CD1 4.34Å; L1435-Y1470 HydrophobicContact CD2-CE1 3.72Å |
| 1436 | F | 83.5 | Confident | 78.3 | Confident | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.114 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -95.9 | 10.4 | -177.8 | -65.5 | -80.2 | 0 | 0 | 0 | 114.5 | V1432 S1438 I1443 L1448 L1451 Y1470 E1473 A1474 | V1432-F1436 HydrophobicContact CG1-CD2 3.88Å; V1432-F1436 HydrophobicContact CG1-CE2 4.23Å; V1432-F1436 WeakPolarHBondContact O-CD2 3.5Å; V1432-F1436 PolarHBondContact O-N 3.18Å; F1436-S1438 PolarHBondContact O-N 2.89Å; F1436-I1443 HydrophobicContact CD1-CD1 3.66Å; F1436-I1443 HydrophobicContact CE1-CD1 3.58Å; F1436-I1443 HydrophobicContact CG-CD1 4.35Å; F1436-I1443 HydrophobicContact CZ-CD1 4.21Å; F1436-L1448 HydrophobicContact CE1-CD2 3.76Å; F1436-L1448 HydrophobicContact CZ-CD2 4.49Å; F1436-L1451 HydrophobicContact CZ-CD2 4.25Å; F1436-Y1470 HydrophobicContact CE2-CD1 4.07Å; F1436-Y1470 HydrophobicContact CE2-CE1 4.48Å; F1436-E1473 HydrophobicContact CB-CB 4.2Å; F1436-E1473 HydrophobicContact CD1-CB 4.03Å; F1436-E1473 HydrophobicContact CD2-CB 3.56Å; F1436-E1473 HydrophobicContact CD2-CG 4.17Å; F1436-E1473 HydrophobicContact CE1-CB 4.28Å; F1436-E1473 HydrophobicContact CE2-CB 3.86Å; F1436-E1473 HydrophobicContact CG-CB 3.66Å; F1436-E1473 HydrophobicContact CG-CG 4.49Å; F1436-E1473 HydrophobicContact CZ-CB 4.22Å; F1436-A1474 HydrophobicContact CE1-CB 4.15Å; F1436-A1474 HydrophobicContact CZ-CB 3.98Å |
| 1437 | S | 74.9 | Confident | 78.4 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | trans | -70.8 | 124.1 | 176.9 | -83.5 | 0 | 0 | 0 | 0 | 111.8 | N1433 G1439 | N1433-S1437 WeakPolarHBondContact O-CB 3.33Å; N1433-S1437 PolarHBondContact O-N 3.22Å; N1433-S1437 PolarHBondContact O-OG 3.05Å; S1437-G1439 PolarHBondContact O-N 2.89Å | ||
| 1438 | S | 53.2 | Low | 78.5 | Confident | 136 Ų | 136 | 61.6 Ų | 61.6 | 95% | 0.951 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 47.8 | -167.6 | -36.9 | 0 | 0 | 0 | 0 | 115.6 | F1436 | F1436-S1438 PolarHBondContact O-N 2.89Š|
| 1439 | G | 54.9 | Low | 78.5 | Confident | 68 Ų | 68 | 57.9 Ų | 57.9 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | -59.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1437 | S1437-G1439 PolarHBondContact O-N 2.89Š|
| 1440 | D | 53.2 | Low | 78.6 | Confident | 144 Ų | 144 | 56.3 Ų | 56.3 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -14.6 | -162.4 | -59.7 | -37.2 | 0 | 0 | 0 | 115 | ||
| 1441 | H | 58.3 | Low | 78.8 | Confident | 53 Ų | 53 | 56 Ų | 56 | 25% | 0.245 | 34% | 0.338 | C | S | . | . | trans | -140.7 | 98 | -171.1 | -53.5 | 99.5 | 0 | 0 | 0 | 112.1 | V1408 I1443 | V1408-H1441 HydrophobicContact CG2-CB 3.98Å; H1441-I1443 PolarHBondContact O-N 2.39Å | ||
| 1442 | T | 66.6 | Low | 79.2 | Confident | 144 Ų | 144 | 52.8 Ų | 52.8 | 88% | 0.883 | 32% | 0.32 | S | S | * | . | trans | -76.9 | 103.6 | 171.6 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | G1444 | T1442-G1444 PolarHBondContact O-N 2.54Š| ||
| 1443 | I | 82.1 | Confident | 79.5 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | trans | -75.5 | 122 | 175.7 | -51.1 | 173.9 | 0 | 0 | 0 | 108.7 | V1408 L1435 F1436 H1441 I1447 L1448 | V1408-I1443 HydrophobicContact CG2-CG1 4.27Å; L1435-I1443 HydrophobicContact CD1-CD1 3.9Å; L1435-I1443 HydrophobicContact CD1-CG1 4.43Å; L1435-I1443 HydrophobicContact CG-CD1 3.81Å; F1436-I1443 HydrophobicContact CD1-CD1 3.66Å; F1436-I1443 HydrophobicContact CE1-CD1 3.58Å; F1436-I1443 HydrophobicContact CG-CD1 4.35Å; F1436-I1443 HydrophobicContact CZ-CD1 4.21Å; H1441-I1443 PolarHBondContact O-N 2.39Å; I1443-I1447 HydrophobicContact CG2-CB 3.82Å; I1443-I1447 HydrophobicContact CG2-CD1 4.13Å; I1443-I1447 HydrophobicContact CG2-CG2 4.01Å; I1443-L1448 HydrophobicContact CB-CD2 4.13Å; I1443-L1448 HydrophobicContact CB-CG 4.42Å; I1443-L1448 HydrophobicContact CD1-CD2 4.33Å; I1443-L1448 HydrophobicContact CG2-CD2 3.66Å; I1443-L1448 HydrophobicContact CG2-CG 3.9Å | ||
| 1444 | G | 85.1 | Confident | 79.8 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | trans | -62.7 | 143.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | T1442 N1446 I1447 L1448 | T1442-G1444 PolarHBondContact O-N 2.54Å; G1444-N1446 VanDerWaalsContact C-OD1 3.29Å; G1444-N1446 WeakPolarHBondContact CA-OD1 3.45Å; G1444-N1446 PolarHBondContact O-N 3.05Å; G1444-I1447 WeakPolarHBondContact O-CA 3.16Å; G1444-I1447 VanDerWaalsContact O-CB 3.3Å; G1444-I1447 WeakPolarHBondContact O-CB 3.04Å; G1444-I1447 PolarHBondContact O-N 3.08Å; G1444-L1448 PolarHBondContact O-N 2.58Å; G1444-L1448 VanDerWaalsContact O-N 3.1Å | ||
| 1445 | Q | 89.9 | Confident | 80.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.1 | -38.3 | -179.8 | -66.6 | -63.3 | -27.4 | 0 | 0 | 112.1 | I1447 L1448 L1449 C1477 E1479 D1482 T1485 | Q1445-I1447 VanDerWaalsContact C-N 3.31Å; Q1445-I1447 PolarHBondContact O-N 2.98Å; Q1445-L1448 PolarHBondContact O-N 3.38Å; Q1445-L1449 WeakPolarHBondContact O-CB 3.28Å; Q1445-L1449 WeakPolarHBondContact O-CD1 3.34Å; Q1445-L1449 WeakPolarHBondContact O-CG 3.41Å; Q1445-L1449 PolarHBondContact O-N 3.34Å; Q1445-C1477 PolarHBondContact NE2-O 2.96Å; Q1445-E1479 PolarHBondContact NE2-OE2 2.88Å; Q1445-D1482 HydrophobicContact CB-CB 4.46Å; Q1445-D1482 HydrophobicContact CG-CB 3.83Å; Q1445-T1485 PolarHBondContact OE1-OG1 2.59Å; Q1445-T1485 VanDerWaalsContact OE1-OG1 3.07Å |
| 1446 | N | 86.5 | Confident | 80.5 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.8 | -39.5 | 169.9 | 64.3 | -40.8 | 0 | 0 | 0 | 113.8 | G1444 S1450 T1484 | G1444-N1446 VanDerWaalsContact C-OD1 3.29Å; G1444-N1446 WeakPolarHBondContact CA-OD1 3.45Å; G1444-N1446 PolarHBondContact O-N 3.05Å; N1446-S1450 VanDerWaalsContact O-CB 3.24Å; N1446-S1450 WeakPolarHBondContact O-CB 3.32Å; N1446-S1450 PolarHBondContact O-N 3.09Å; N1446-T1484 HydrophobicContact CB-CG2 4.27Å |
| 1447 | I | 88.6 | Confident | 80.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71 | -45 | 177.9 | -45.6 | 175.8 | 0 | 0 | 0 | 109.8 | V1408 L1411 E1412 L1415 I1443 G1444 Q1445 S1450 L1451 | V1408-I1447 HydrophobicContact CG1-CD1 3.67Å; L1411-I1447 HydrophobicContact CD2-CG2 4.31Å; E1412-I1447 HydrophobicContact CG-CD1 3.81Å; E1412-I1447 HydrophobicContact CG-CG1 4.24Å; E1412-I1447 HydrophobicContact CG-CG2 4.37Å; E1412-I1447 VanDerWaalsContact OE1-CD1 3.24Å; E1412-I1447 WeakPolarHBondContact OE1-CD1 3.02Å; L1415-I1447 HydrophobicContact CD1-CG2 3.63Å; I1443-I1447 HydrophobicContact CG2-CB 3.82Å; I1443-I1447 HydrophobicContact CG2-CD1 4.13Å; I1443-I1447 HydrophobicContact CG2-CG2 4.01Å; G1444-I1447 WeakPolarHBondContact O-CA 3.16Å; G1444-I1447 VanDerWaalsContact O-CB 3.3Å; G1444-I1447 WeakPolarHBondContact O-CB 3.04Å; G1444-I1447 PolarHBondContact O-N 3.08Å; Q1445-I1447 VanDerWaalsContact C-N 3.31Å; Q1445-I1447 PolarHBondContact O-N 2.98Å; I1447-S1450 PolarHBondContact O-N 2.88Å; I1447-L1451 WeakPolarHBondContact O-CB 3.39Å; I1447-L1451 PolarHBondContact O-N 2.85Å |
| 1448 | L | 90.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 177.9 | -63.4 | 176.2 | 0 | 0 | 0 | 111.5 | F1436 I1443 G1444 Q1445 S1450 L1451 I1452 A1474 C1477 L1478 | F1436-L1448 HydrophobicContact CE1-CD2 3.76Å; F1436-L1448 HydrophobicContact CZ-CD2 4.49Å; I1443-L1448 HydrophobicContact CB-CD2 4.13Å; I1443-L1448 HydrophobicContact CB-CG 4.42Å; I1443-L1448 HydrophobicContact CD1-CD2 4.33Å; I1443-L1448 HydrophobicContact CG2-CD2 3.66Å; I1443-L1448 HydrophobicContact CG2-CG 3.9Å; G1444-L1448 PolarHBondContact O-N 2.58Å; G1444-L1448 VanDerWaalsContact O-N 3.1Å; Q1445-L1448 PolarHBondContact O-N 3.38Å; L1448-S1450 PolarHBondContact O-N 2.9Å; L1448-L1451 PolarHBondContact O-N 3.15Å; L1448-I1452 WeakPolarHBondContact O-CD1 3.27Å; L1448-I1452 VanDerWaalsContact O-CG1 3.25Å; L1448-I1452 WeakPolarHBondContact O-CG1 3.42Å; L1448-I1452 PolarHBondContact O-N 3.21Å; L1448-A1474 HydrophobicContact CD2-CB 4.17Å; L1448-C1477 HydrophobicContact CD1-CB 3.65Å; L1448-C1477 VanDerWaalsContact CD1-O 3.23Å; L1448-C1477 WeakPolarHBondContact CD1-O 3.35Å; L1448-C1477 HydrophobicContact CD2-CB 4.3Å; L1448-L1478 HydrophobicContact CB-CD2 4.07Å |
| 1449 | L | 89.4 | Confident | 82 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 176.8 | -67.7 | 164.5 | 0 | 0 | 0 | 111.6 | Q1445 I1452 H1453 L1478 T1484 H1488 I1492 | Q1445-L1449 WeakPolarHBondContact O-CB 3.28Å; Q1445-L1449 WeakPolarHBondContact O-CD1 3.34Å; Q1445-L1449 WeakPolarHBondContact O-CG 3.41Å; Q1445-L1449 PolarHBondContact O-N 3.34Å; L1449-I1452 PolarHBondContact O-N 3.06Å; L1449-H1453 VanDerWaalsContact O-CB 3.25Å; L1449-H1453 WeakPolarHBondContact O-CB 3.46Å; L1449-H1453 PolarHBondContact O-N 3.01Å; L1449-L1478 HydrophobicContact CD2-CD2 3.88Å; L1449-L1478 HydrophobicContact CG-CD2 4.13Å; L1449-T1484 HydrophobicContact CD1-CG2 4.01Å; L1449-H1488 HydrophobicContact CD1-CB 4.36Å; L1449-I1492 HydrophobicContact CB-CD1 3.91Å; L1449-I1492 HydrophobicContact CD2-CD1 4.19Å |
| 1450 | S | 89.6 | Confident | 83.5 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | N1446 I1447 L1448 H1453 Q1454 | N1446-S1450 VanDerWaalsContact O-CB 3.24Å; N1446-S1450 WeakPolarHBondContact O-CB 3.32Å; N1446-S1450 PolarHBondContact O-N 3.09Å; I1447-S1450 PolarHBondContact O-N 2.88Å; L1448-S1450 PolarHBondContact O-N 2.9Å; S1450-H1453 PolarHBondContact O-N 2.65Å; S1450-Q1454 PolarHBondContact O-N 2.81Å |
| 1451 | L | 91.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 174.9 | 178.3 | 66.9 | 0 | 0 | 0 | 111.6 | L1411 L1415 L1423 F1436 I1447 L1448 H1453 Q1454 L1455 Y1470 A1474 | L1411-L1451 HydrophobicContact CD1-CD1 4.26Å; L1411-L1451 HydrophobicContact CD2-CD2 4.38Å; L1415-L1451 HydrophobicContact CD1-CB 4.32Å; L1415-L1451 HydrophobicContact CD2-CB 4.29Å; L1415-L1451 HydrophobicContact CD2-CD1 4.27Å; L1423-L1451 HydrophobicContact CD1-CD1 4.43Å; F1436-L1451 HydrophobicContact CZ-CD2 4.25Å; I1447-L1451 WeakPolarHBondContact O-CB 3.39Å; I1447-L1451 PolarHBondContact O-N 2.85Å; L1448-L1451 PolarHBondContact O-N 3.15Å; L1451-H1453 VanDerWaalsContact C-N 3.3Å; L1451-H1453 PolarHBondContact O-N 3.14Å; L1451-Q1454 PolarHBondContact O-N 2.75Å; L1451-L1455 HydrophobicContact CD1-CD1 3.75Å; L1451-L1455 HydrophobicContact CD1-CG 4.05Å; L1451-L1455 HydrophobicContact CG-CD1 4.01Å; L1451-L1455 WeakPolarHBondContact O-CB 3.18Å; L1451-L1455 VanDerWaalsContact O-CG 3.28Å; L1451-L1455 WeakPolarHBondContact O-CG 3.26Å; L1451-L1455 PolarHBondContact O-N 2.64Å; L1451-Y1470 HydrophobicContact CD2-CD1 4.13Å; L1451-A1474 HydrophobicContact CD2-CB 4.06Å |
| 1452 | I | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 177.6 | -66.7 | 162.8 | 0 | 0 | 0 | 110 | L1448 L1449 S1456 L1471 A1474 I1475 L1478 I1492 L1496 | L1448-I1452 WeakPolarHBondContact O-CD1 3.27Å; L1448-I1452 VanDerWaalsContact O-CG1 3.25Å; L1448-I1452 WeakPolarHBondContact O-CG1 3.42Å; L1448-I1452 PolarHBondContact O-N 3.21Å; L1449-I1452 PolarHBondContact O-N 3.06Å; I1452-S1456 VanDerWaalsContact O-CB 3.23Å; I1452-S1456 WeakPolarHBondContact O-CB 3.34Å; I1452-S1456 PolarHBondContact O-N 2.92Å; I1452-S1456 VanDerWaalsContact O-N 3.09Å; I1452-S1456 PolarHBondContact O-OG 2.86Å; I1452-L1471 HydrophobicContact CB-CD2 4.18Å; I1452-L1471 HydrophobicContact CG1-CD2 4.14Å; I1452-L1471 HydrophobicContact CG2-CD2 4Å; I1452-A1474 HydrophobicContact CD1-CB 4.15Å; I1452-A1474 HydrophobicContact CG1-CB 3.96Å; I1452-I1475 HydrophobicContact CD1-CG1 3.71Å; I1452-I1475 HydrophobicContact CG1-CG1 4.29Å; I1452-L1478 HydrophobicContact CD1-CD1 3.85Å; I1452-L1478 HydrophobicContact CD1-CD2 4.22Å; I1452-L1478 HydrophobicContact CD1-CG 4.15Å; I1452-I1492 HydrophobicContact CB-CG2 4.05Å; I1452-I1492 HydrophobicContact CG2-CG2 3.63Å; I1452-L1496 HydrophobicContact CG2-CD2 4.12Å |
| 1453 | H | 91 | Very high | 86.7 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 38% | 0.375 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -52.3 | 177.8 | -179.8 | -119.3 | 0 | 0 | 0 | 112.5 | L1449 S1450 L1451 L1455 S1456 C1457 I1492 | L1449-H1453 VanDerWaalsContact O-CB 3.25Å; L1449-H1453 WeakPolarHBondContact O-CB 3.46Å; L1449-H1453 PolarHBondContact O-N 3.01Å; S1450-H1453 PolarHBondContact O-N 2.65Å; L1451-H1453 VanDerWaalsContact C-N 3.3Å; L1451-H1453 PolarHBondContact O-N 3.14Å; H1453-L1455 PolarHBondContact O-N 2.62Å; H1453-S1456 PolarHBondContact O-N 3.02Å; H1453-C1457 VanDerWaalsContact CD2-SG 3.6Å; H1453-C1457 PolarHBondContact NE2-SG 2.83Å; H1453-C1457 WeakPolarHBondContact O-CB 3.38Å; H1453-C1457 PolarHBondContact O-N 2.8Å; H1453-C1457 PolarHBondContact O-SG 2.82Å; H1453-I1492 HydrophobicContact CB-CD1 4.34Å; H1453-I1492 HydrophobicContact CB-CG1 4.38Å; H1453-I1492 HydrophobicContact CB-CG2 4.15Å |
| 1454 | Q | 89.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -34.5 | -178.2 | -72.2 | -166.4 | 15.1 | 0 | 0 | 113.4 | L1415 Q1420 L1423 S1450 L1451 S1456 | L1415-Q1454 HydrophobicContact CD2-CB 4.36Å; L1415-Q1454 HydrophobicContact CD2-CG 4.4Å; L1415-Q1454 PolarHBondContact O-NE2 2.94Å; Q1420-Q1454 PolarHBondContact NE2-O 3Å; L1423-Q1454 HydrophobicContact CD2-CB 3.81Å; S1450-Q1454 PolarHBondContact O-N 2.81Å; L1451-Q1454 PolarHBondContact O-N 2.75Å; Q1454-S1456 VanDerWaalsContact C-N 3.33Å |
| 1455 | L | 90 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -30.1 | 174.7 | -65 | 179.7 | 0 | 0 | 0 | 112.4 | L1423 L1424 L1451 H1453 K1467 L1471 | L1423-L1455 HydrophobicContact CD2-CD2 3.96Å; L1423-L1455 HydrophobicContact CD2-CG 4.46Å; L1424-L1455 HydrophobicContact CD2-CD2 4.06Å; L1451-L1455 HydrophobicContact CD1-CD1 3.75Å; L1451-L1455 HydrophobicContact CD1-CG 4.05Å; L1451-L1455 HydrophobicContact CG-CD1 4.01Å; L1451-L1455 WeakPolarHBondContact O-CB 3.18Å; L1451-L1455 VanDerWaalsContact O-CG 3.28Å; L1451-L1455 WeakPolarHBondContact O-CG 3.26Å; L1451-L1455 PolarHBondContact O-N 2.64Å; H1453-L1455 PolarHBondContact O-N 2.62Å; L1455-K1467 HydrophobicContact CD2-CG 4.34Å; L1455-K1467 PolarHBondContact O-NZ 2.79Å; L1455-L1471 HydrophobicContact CB-CD1 4.36Å; L1455-L1471 HydrophobicContact CB-CD2 4.11Å; L1455-L1471 HydrophobicContact CB-CG 4.22Å; L1455-L1471 HydrophobicContact CD1-CD2 4.36Å; L1455-L1471 HydrophobicContact CD1-CG 4.14Å |
| 1456 | S | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -82.2 | -29.6 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 114.8 | I1452 H1453 Q1454 L1496 | I1452-S1456 VanDerWaalsContact O-CB 3.23Å; I1452-S1456 WeakPolarHBondContact O-CB 3.34Å; I1452-S1456 PolarHBondContact O-N 2.92Å; I1452-S1456 VanDerWaalsContact O-N 3.09Å; I1452-S1456 PolarHBondContact O-OG 2.86Å; H1453-S1456 PolarHBondContact O-N 3.02Å; Q1454-S1456 VanDerWaalsContact C-N 3.33Å; S1456-L1496 WeakPolarHBondContact OG-CD1 3.23Å |
| 1457 | C | 83.2 | Confident | 87.4 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 40% | 0.399 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73 | -33.5 | -172.4 | -88.7 | 0 | 0 | 0 | 0 | 114.5 | H1453 | H1453-C1457 VanDerWaalsContact CD2-SG 3.6Å; H1453-C1457 PolarHBondContact NE2-SG 2.83Å; H1453-C1457 WeakPolarHBondContact O-CB 3.38Å; H1453-C1457 PolarHBondContact O-N 2.8Å; H1453-C1457 PolarHBondContact O-SG 2.82Å |
| 1458 | G | 78.3 | Confident | 87.5 | Confident | 24 Ų | 24 | 32 Ų | 32 | 25% | 0.247 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -100.9 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1460 K1467 | G1458-L1460 PolarHBondContact O-N 2.89Å; G1458-L1460 VanDerWaalsContact O-N 3.1Å; G1458-K1467 PolarHBondContact O-NZ 3.38Å |
| 1459 | D | 81.5 | Confident | 87.6 | Confident | 92 Ų | 92 | 35.7 Ų | 35.7 | 49% | 0.492 | 20% | 0.199 | S | C | . | . | trans | -49.7 | 112.9 | -171.4 | -173.4 | -11.1 | 0 | 0 | 0 | 113.2 | T1461 V1462 K1467 | D1459-T1461 VanDerWaalsContact C-N 3.26Å; D1459-T1461 VanDerWaalsContact CG-OG1 3.22Å; D1459-T1461 PolarHBondContact O-N 3.06Å; D1459-T1461 VanDerWaalsContact OD1-CB 3.31Å; D1459-T1461 WeakPolarHBondContact OD1-CB 3.34Å; D1459-T1461 WeakPolarHBondContact OD1-CG2 3.4Å; D1459-T1461 PolarHBondContact OD1-N 3.34Å; D1459-T1461 PolarHBondContact OD1-OG1 2.79Å; D1459-T1461 PolarHBondContact OD2-OG1 3.48Å; D1459-T1461 VanDerWaalsContact OD2-OG1 3.12Å; D1459-V1462 HydrophobicContact CB-CG2 4.17Å; D1459-V1462 PolarHBondContact O-N 3.27Å; D1459-K1467 PolarHBondContact O-NZ 3.44Å | ||
| 1460 | L | 85.6 | Confident | 87.7 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.9 | 179.5 | -82.9 | 158.1 | 0 | 0 | 0 | 113.3 | G1458 V1462 L1464 K1467 L1471 R1499 L1500 L1503 | G1458-L1460 PolarHBondContact O-N 2.89Å; G1458-L1460 VanDerWaalsContact O-N 3.1Å; L1460-V1462 VanDerWaalsContact C-N 3.25Å; L1460-V1462 PolarHBondContact O-N 3.24Å; L1460-L1464 WeakPolarHBondContact O-CA 3.45Å; L1460-L1464 WeakPolarHBondContact O-CB 3.24Å; L1460-L1464 VanDerWaalsContact O-CD1 3.27Å; L1460-L1464 WeakPolarHBondContact O-CD1 3.33Å; L1460-K1467 HydrophobicContact CD2-CD 4.09Å; L1460-L1471 HydrophobicContact CD2-CD1 4.25Å; L1460-R1499 HydrophobicContact CD1-CB 3.65Å; L1460-L1500 HydrophobicContact CD1-CD2 4.5Å; L1460-L1503 HydrophobicContact CB-CD2 4.24Å |
| 1461 | T | 81.4 | Confident | 87.9 | Confident | 80 Ų | 80 | 33.5 Ų | 33.5 | 49% | 0.491 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.1 | 177.1 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | D1459 Q1463 L1503 | D1459-T1461 VanDerWaalsContact C-N 3.26Å; D1459-T1461 VanDerWaalsContact CG-OG1 3.22Å; D1459-T1461 PolarHBondContact O-N 3.06Å; D1459-T1461 VanDerWaalsContact OD1-CB 3.31Å; D1459-T1461 WeakPolarHBondContact OD1-CB 3.34Å; D1459-T1461 WeakPolarHBondContact OD1-CG2 3.4Å; D1459-T1461 PolarHBondContact OD1-N 3.34Å; D1459-T1461 PolarHBondContact OD1-OG1 2.79Å; D1459-T1461 PolarHBondContact OD2-OG1 3.48Å; D1459-T1461 VanDerWaalsContact OD2-OG1 3.12Å; T1461-Q1463 PolarHBondContact O-N 3.08Å; T1461-L1503 HydrophobicContact CG2-CD1 3.77Å |
| 1462 | V | 81.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 35.2 Ų | 35.2 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 119 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109.9 | D1459 L1460 L1464 K1467 | D1459-V1462 HydrophobicContact CB-CG2 4.17Å; D1459-V1462 PolarHBondContact O-N 3.27Å; L1460-V1462 VanDerWaalsContact C-N 3.25Å; L1460-V1462 PolarHBondContact O-N 3.24Å; V1462-L1464 VanDerWaalsContact C-N 3.26Å; V1462-L1464 PolarHBondContact O-N 3.03Å; V1462-K1467 WeakPolarHBondContact O-CE 3.41Å |
| 1463 | Q | 83.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.4 | -175.6 | -57.6 | -169.6 | 13.9 | 0 | 0 | 114.3 | N1428 T1461 D1465 L1466 K1467 | N1428-Q1463 PolarHBondContact ND2-OE1 3.32Å; T1461-Q1463 PolarHBondContact O-N 3.08Å; Q1463-D1465 PolarHBondContact O-N 3.47Å; Q1463-L1466 HydrophobicContact CB-CB 4.35Å; Q1463-L1466 WeakPolarHBondContact O-CB 3.32Å; Q1463-L1466 PolarHBondContact O-N 2.72Å; Q1463-K1467 PolarHBondContact O-N 3.09Å; Q1463-K1467 VanDerWaalsContact O-N 3.13Å |
| 1464 | L | 87.1 | Confident | 87.7 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -46.2 | -41.2 | -176.8 | -179.7 | 61.3 | 0 | 0 | 0 | 114.5 | L1460 V1462 L1466 L1468 L1503 I1514 L1518 V1522 | L1460-L1464 WeakPolarHBondContact O-CA 3.45Å; L1460-L1464 WeakPolarHBondContact O-CB 3.24Å; L1460-L1464 VanDerWaalsContact O-CD1 3.27Å; L1460-L1464 WeakPolarHBondContact O-CD1 3.33Å; V1462-L1464 VanDerWaalsContact C-N 3.26Å; V1462-L1464 PolarHBondContact O-N 3.03Å; L1464-L1466 PolarHBondContact O-N 3.11Å; L1464-L1468 HydrophobicContact CD1-CD1 3.79Å; L1464-L1468 HydrophobicContact CD1-CG 3.88Å; L1464-L1468 HydrophobicContact CG-CD1 3.8Å; L1464-L1468 HydrophobicContact CG-CG 4.31Å; L1464-L1468 VanDerWaalsContact O-CB 3.32Å; L1464-L1468 WeakPolarHBondContact O-CB 3.4Å; L1464-L1468 WeakPolarHBondContact O-CG 3.5Å; L1464-L1468 PolarHBondContact O-N 3.04Å; L1464-L1503 HydrophobicContact CD1-CD2 3.77Å; L1464-L1503 HydrophobicContact CD2-CD2 4.38Å; L1464-I1514 HydrophobicContact CD2-CD1 3.81Å; L1464-I1514 HydrophobicContact CD2-CG1 3.99Å; L1464-I1514 HydrophobicContact CD2-CG2 4.18Å; L1464-L1518 HydrophobicContact CD2-CB 4.39Å; L1464-V1522 HydrophobicContact CD1-CG2 4.26Å; L1464-V1522 HydrophobicContact CD2-CG2 4.42Å |
| 1465 | D | 88.4 | Confident | 87.7 | Confident | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 179.4 | -179.1 | 49.1 | 0 | 0 | 0 | 113.4 | Q1463 K1469 L1518 R1521 | Q1463-D1465 PolarHBondContact O-N 3.47Å; D1465-K1469 WeakPolarHBondContact O-CG 3.25Å; D1465-K1469 PolarHBondContact O-N 3.3Å; D1465-K1469 IonicContact OD1-NZ 3.7Å; D1465-K1469 VanDerWaalsContact OD2-CE 3.29Å; D1465-K1469 WeakPolarHBondContact OD2-CE 3.49Å; D1465-K1469 IonicContact OD2-NZ 3.63Å; D1465-K1469 PolarHBondContact OD2-NZ 2.92Å; D1465-L1518 HydrophobicContact CB-CD2 3.77Å; D1465-R1521 IonicContact OD1-CZ 2.73Å; D1465-R1521 IonicContact OD1-NH1 4Å; D1465-R1521 PolarHBondContact OD1-NH1 2.82Å |
| 1466 | L | 90.9 | Very high | 87.5 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -50.3 | 177.3 | -171.1 | 76.9 | 0 | 0 | 0 | 110.3 | L1424 C1427 N1428 Q1463 L1464 L1468 K1469 Y1470 | L1424-L1466 HydrophobicContact CD2-CD2 4.09Å; C1427-L1466 HydrophobicContact CB-CD2 3.91Å; C1427-L1466 HydrophobicContact CB-CG 4.5Å; N1428-L1466 WeakPolarHBondContact ND2-CD2 3.25Å; Q1463-L1466 HydrophobicContact CB-CB 4.35Å; Q1463-L1466 WeakPolarHBondContact O-CB 3.32Å; Q1463-L1466 PolarHBondContact O-N 2.72Å; L1464-L1466 PolarHBondContact O-N 3.11Å; L1466-L1468 VanDerWaalsContact C-N 3.25Å; L1466-L1468 PolarHBondContact O-N 3.07Å; L1466-K1469 WeakPolarHBondContact O-CB 3.14Å; L1466-K1469 PolarHBondContact O-N 2.88Å; L1466-Y1470 HydrophobicContact CD1-CD2 4.36Å; L1466-Y1470 HydrophobicContact CD1-CE2 3.95Å; L1466-Y1470 HydrophobicContact CG-CD2 4.2Å; L1466-Y1470 HydrophobicContact CG-CE2 4.18Å; L1466-Y1470 PolarHBondContact O-N 3.14Å |
| 1467 | K | 91.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | 177 | -66.4 | -167.7 | 170.7 | -169.8 | 0 | 111.1 | L1424 L1455 G1458 D1459 L1460 V1462 Q1463 K1469 L1471 | L1424-K1467 HydrophobicContact CD2-CG 3.94Å; L1455-K1467 HydrophobicContact CD2-CG 4.34Å; L1455-K1467 PolarHBondContact O-NZ 2.79Å; G1458-K1467 PolarHBondContact O-NZ 3.38Å; D1459-K1467 PolarHBondContact O-NZ 3.44Å; L1460-K1467 HydrophobicContact CD2-CD 4.09Å; V1462-K1467 WeakPolarHBondContact O-CE 3.41Å; Q1463-K1467 PolarHBondContact O-N 3.09Å; Q1463-K1467 VanDerWaalsContact O-N 3.13Å; K1467-K1469 VanDerWaalsContact C-N 3.32Å; K1467-K1469 PolarHBondContact O-N 3.31Å; K1467-L1471 HydrophobicContact CB-CD1 4.49Å; K1467-L1471 VanDerWaalsContact O-CB 3.25Å; K1467-L1471 WeakPolarHBondContact O-CB 3.41Å; K1467-L1471 WeakPolarHBondContact O-CD1 3.28Å; K1467-L1471 WeakPolarHBondContact O-CG 3.32Å; K1467-L1471 PolarHBondContact O-N 2.7Å |
| 1468 | L | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -22.1 | 177.5 | -73.3 | 172.9 | 0 | 0 | 0 | 114.6 | L1464 L1466 Q1472 L1518 R1521 V1522 L1525 | L1464-L1468 HydrophobicContact CD1-CD1 3.79Å; L1464-L1468 HydrophobicContact CD1-CG 3.88Å; L1464-L1468 HydrophobicContact CG-CD1 3.8Å; L1464-L1468 HydrophobicContact CG-CG 4.31Å; L1464-L1468 VanDerWaalsContact O-CB 3.32Å; L1464-L1468 WeakPolarHBondContact O-CB 3.4Å; L1464-L1468 WeakPolarHBondContact O-CG 3.5Å; L1464-L1468 PolarHBondContact O-N 3.04Å; L1466-L1468 VanDerWaalsContact C-N 3.25Å; L1466-L1468 PolarHBondContact O-N 3.07Å; L1468-Q1472 WeakPolarHBondContact O-CB 3.12Å; L1468-Q1472 WeakPolarHBondContact O-CG 3.31Å; L1468-Q1472 PolarHBondContact O-N 2.97Å; L1468-Q1472 PolarHBondContact O-OE1 3.29Å; L1468-Q1472 VanDerWaalsContact O-OE1 3.12Å; L1468-L1518 HydrophobicContact CD1-CD2 4.17Å; L1468-R1521 HydrophobicContact CD1-CB 4.2Å; L1468-R1521 PolarHBondContact O-NH2 2.69Å; L1468-V1522 HydrophobicContact CD1-CG2 3.75Å; L1468-V1522 HydrophobicContact CD2-CG2 4.13Å; L1468-L1525 HydrophobicContact CD2-CD2 3.65Å |
| 1469 | K | 90.7 | Very high | 87.9 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.1 | -56.6 | 173.3 | -71.6 | 160.4 | -179.1 | 162.1 | 0 | 109.7 | V1432 D1465 L1466 K1467 L1471 Q1472 E1473 | V1432-K1469 HydrophobicContact CG2-CB 4.17Å; D1465-K1469 WeakPolarHBondContact O-CG 3.25Å; D1465-K1469 PolarHBondContact O-N 3.3Å; D1465-K1469 IonicContact OD1-NZ 3.7Å; D1465-K1469 VanDerWaalsContact OD2-CE 3.29Å; D1465-K1469 WeakPolarHBondContact OD2-CE 3.49Å; D1465-K1469 IonicContact OD2-NZ 3.63Å; D1465-K1469 PolarHBondContact OD2-NZ 2.92Å; L1466-K1469 WeakPolarHBondContact O-CB 3.14Å; L1466-K1469 PolarHBondContact O-N 2.88Å; K1467-K1469 VanDerWaalsContact C-N 3.32Å; K1467-K1469 PolarHBondContact O-N 3.31Å; K1469-L1471 PolarHBondContact O-N 3Å; K1469-Q1472 PolarHBondContact O-N 3.16Å; K1469-Q1472 VanDerWaalsContact O-N 3.08Å; K1469-E1473 PolarHBondContact O-N 2.9Å |
| 1470 | Y | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 178.9 | -78.2 | -88.6 | 0 | 0 | 0 | 112.8 | C1427 I1430 V1432 L1435 F1436 L1451 L1466 Q1472 A1474 | C1427-Y1470 WeakPolarHBondContact CA-OH 3.41Å; C1427-Y1470 HydrophobicContact CB-CD2 4.09Å; C1427-Y1470 HydrophobicContact CB-CE1 4.37Å; C1427-Y1470 HydrophobicContact CB-CE2 3.51Å; C1427-Y1470 VanDerWaalsContact O-CE2 3.23Å; C1427-Y1470 WeakPolarHBondContact O-CE2 3.35Å; C1427-Y1470 PolarHBondContact O-OH 2.76Å; I1430-Y1470 WeakPolarHBondContact CB-OH 3.19Å; I1430-Y1470 PolarHBondContact O-OH 2.56Å; V1432-Y1470 HydrophobicContact CG2-CD1 4.42Å; V1432-Y1470 HydrophobicContact CG2-CD2 3.81Å; V1432-Y1470 HydrophobicContact CG2-CE1 4.05Å; V1432-Y1470 HydrophobicContact CG2-CE2 3.35Å; V1432-Y1470 HydrophobicContact CG2-CG 4.31Å; V1432-Y1470 VanDerWaalsContact CG2-CZ 3.49Å; L1435-Y1470 HydrophobicContact CD2-CD1 4.34Å; L1435-Y1470 HydrophobicContact CD2-CE1 3.72Å; F1436-Y1470 HydrophobicContact CE2-CD1 4.07Å; F1436-Y1470 HydrophobicContact CE2-CE1 4.48Å; L1451-Y1470 HydrophobicContact CD2-CD1 4.13Å; L1466-Y1470 HydrophobicContact CD1-CD2 4.36Å; L1466-Y1470 HydrophobicContact CD1-CE2 3.95Å; L1466-Y1470 HydrophobicContact CG-CD2 4.2Å; L1466-Y1470 HydrophobicContact CG-CE2 4.18Å; L1466-Y1470 PolarHBondContact O-N 3.14Å; Y1470-Q1472 VanDerWaalsContact C-N 3.31Å; Y1470-Q1472 PolarHBondContact O-N 3Å; Y1470-A1474 WeakPolarHBondContact O-CB 3.48Å; Y1470-A1474 PolarHBondContact O-N 2.67Å |
| 1471 | L | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -26.8 | 176.3 | -70.6 | 169.7 | 0 | 0 | 0 | 113.5 | I1452 L1455 L1460 K1467 K1469 I1475 L1496 L1525 | I1452-L1471 HydrophobicContact CB-CD2 4.18Å; I1452-L1471 HydrophobicContact CG1-CD2 4.14Å; I1452-L1471 HydrophobicContact CG2-CD2 4Å; L1455-L1471 HydrophobicContact CB-CD1 4.36Å; L1455-L1471 HydrophobicContact CB-CD2 4.11Å; L1455-L1471 HydrophobicContact CB-CG 4.22Å; L1455-L1471 HydrophobicContact CD1-CD2 4.36Å; L1455-L1471 HydrophobicContact CD1-CG 4.14Å; L1460-L1471 HydrophobicContact CD2-CD1 4.25Å; K1467-L1471 HydrophobicContact CB-CD1 4.49Å; K1467-L1471 VanDerWaalsContact O-CB 3.25Å; K1467-L1471 WeakPolarHBondContact O-CB 3.41Å; K1467-L1471 WeakPolarHBondContact O-CD1 3.28Å; K1467-L1471 WeakPolarHBondContact O-CG 3.32Å; K1467-L1471 PolarHBondContact O-N 2.7Å; K1469-L1471 PolarHBondContact O-N 3Å; L1471-I1475 WeakPolarHBondContact O-CB 3Å; L1471-I1475 WeakPolarHBondContact O-CD1 3.47Å; L1471-I1475 WeakPolarHBondContact O-CG1 3.23Å; L1471-L1496 HydrophobicContact CD1-CD1 3.94Å; L1471-L1496 HydrophobicContact CD2-CD1 4.39Å; L1471-L1496 HydrophobicContact CD2-CD2 4.27Å; L1471-L1525 HydrophobicContact CB-CD2 3.84Å; L1471-L1525 HydrophobicContact CD1-CD2 4.44Å |
| 1472 | Q | 91.6 | Very high | 87.5 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.2 | -44.3 | 177.9 | -81.4 | 171.1 | -19.3 | 0 | 0 | 111.4 | L1468 K1469 Y1470 L1476 R1521 L1525 | L1468-Q1472 WeakPolarHBondContact O-CB 3.12Å; L1468-Q1472 WeakPolarHBondContact O-CG 3.31Å; L1468-Q1472 PolarHBondContact O-N 2.97Å; L1468-Q1472 PolarHBondContact O-OE1 3.29Å; L1468-Q1472 VanDerWaalsContact O-OE1 3.12Å; K1469-Q1472 PolarHBondContact O-N 3.16Å; K1469-Q1472 VanDerWaalsContact O-N 3.08Å; Y1470-Q1472 VanDerWaalsContact C-N 3.31Å; Y1470-Q1472 PolarHBondContact O-N 3Å; Q1472-L1476 WeakPolarHBondContact O-CG 3.37Å; Q1472-R1521 PolarHBondContact NE2-O 3.28Å; Q1472-R1521 VanDerWaalsContact OE1-CZ 3.29Å; Q1472-L1525 HydrophobicContact CG-CB 4.41Å; Q1472-L1525 HydrophobicContact CG-CD1 3.96Å; Q1472-L1525 HydrophobicContact CG-CD2 4.44Å |
| 1473 | E | 89.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.7 | -43 | 177.8 | -51.6 | -44.8 | 129.7 | 0 | 0 | 112.2 | V1432 F1436 K1469 I1475 L1476 C1477 | V1432-E1473 HydrophobicContact CG1-CB 4.47Å; V1432-E1473 HydrophobicContact CG1-CG 3.72Å; F1436-E1473 HydrophobicContact CB-CB 4.2Å; F1436-E1473 HydrophobicContact CD1-CB 4.03Å; F1436-E1473 HydrophobicContact CD2-CB 3.56Å; F1436-E1473 HydrophobicContact CD2-CG 4.17Å; F1436-E1473 HydrophobicContact CE1-CB 4.28Å; F1436-E1473 HydrophobicContact CE2-CB 3.86Å; F1436-E1473 HydrophobicContact CG-CB 3.66Å; F1436-E1473 HydrophobicContact CG-CG 4.49Å; F1436-E1473 HydrophobicContact CZ-CB 4.22Å; K1469-E1473 PolarHBondContact O-N 2.9Å; E1473-I1475 PolarHBondContact O-N 3.21Å; E1473-I1475 VanDerWaalsContact O-N 3.15Å; E1473-L1476 WeakPolarHBondContact O-CB 3.47Å; E1473-L1476 PolarHBondContact O-N 3.16Å; E1473-C1477 PolarHBondContact O-N 3.33Å |
| 1474 | A | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -29.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1436 L1448 L1451 I1452 Y1470 | F1436-A1474 HydrophobicContact CE1-CB 4.15Å; F1436-A1474 HydrophobicContact CZ-CB 3.98Å; L1448-A1474 HydrophobicContact CD2-CB 4.17Å; L1451-A1474 HydrophobicContact CD2-CB 4.06Å; I1452-A1474 HydrophobicContact CD1-CB 4.15Å; I1452-A1474 HydrophobicContact CG1-CB 3.96Å; Y1470-A1474 WeakPolarHBondContact O-CB 3.48Å; Y1470-A1474 PolarHBondContact O-N 2.67Å |
| 1475 | I | 89.4 | Confident | 86.8 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.8 | -26.3 | 175.7 | -77.1 | 167.9 | 0 | 0 | 0 | 112.3 | I1452 L1471 E1473 C1477 L1478 L1493 L1496 L1525 T1528 V1529 L1532 | I1452-I1475 HydrophobicContact CD1-CG1 3.71Å; I1452-I1475 HydrophobicContact CG1-CG1 4.29Å; L1471-I1475 WeakPolarHBondContact O-CB 3Å; L1471-I1475 WeakPolarHBondContact O-CD1 3.47Å; L1471-I1475 WeakPolarHBondContact O-CG1 3.23Å; E1473-I1475 PolarHBondContact O-N 3.21Å; E1473-I1475 VanDerWaalsContact O-N 3.15Å; I1475-C1477 VanDerWaalsContact C-N 3.26Å; I1475-L1478 HydrophobicContact CG1-CD1 4.41Å; I1475-L1493 HydrophobicContact CD1-CD2 4.19Å; I1475-L1493 HydrophobicContact CG1-CD2 4.22Å; I1475-L1496 HydrophobicContact CD1-CD2 3.34Å; I1475-L1525 HydrophobicContact CD1-CD1 3.88Å; I1475-T1528 HydrophobicContact CG2-CG2 4.17Å; I1475-V1529 HydrophobicContact CD1-CG2 3.71Å; I1475-L1532 HydrophobicContact CG2-CD1 3.47Å; I1475-L1532 VanDerWaalsContact CG2-CD1 3.47Å |
| 1476 | L | 86.3 | Confident | 86.4 | Confident | 126 Ų | 126 | 48.1 Ų | 48.1 | 66% | 0.66 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -76.4 | -15.5 | 173.6 | -67 | 170.3 | 0 | 0 | 0 | 112.7 | Q1472 E1473 | Q1472-L1476 WeakPolarHBondContact O-CG 3.37Å; E1473-L1476 WeakPolarHBondContact O-CB 3.47Å; E1473-L1476 PolarHBondContact O-N 3.16Å |
| 1477 | C | 86.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.6 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | Q1445 L1448 E1473 I1475 E1479 | Q1445-C1477 PolarHBondContact NE2-O 2.96Å; L1448-C1477 HydrophobicContact CD1-CB 3.65Å; L1448-C1477 VanDerWaalsContact CD1-O 3.23Å; L1448-C1477 WeakPolarHBondContact CD1-O 3.35Å; L1448-C1477 HydrophobicContact CD2-CB 4.3Å; E1473-C1477 PolarHBondContact O-N 3.33Å; I1475-C1477 VanDerWaalsContact C-N 3.26Å; C1477-E1479 PolarHBondContact O-N 2.85Å |
| 1478 | L | 86.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | trans | -74.3 | 121.8 | 174.2 | -73.3 | 178.6 | 0 | 0 | 0 | 110.7 | L1448 L1449 I1452 I1475 F1480 T1485 L1493 | L1448-L1478 HydrophobicContact CB-CD2 4.07Å; L1449-L1478 HydrophobicContact CD2-CD2 3.88Å; L1449-L1478 HydrophobicContact CG-CD2 4.13Å; I1452-L1478 HydrophobicContact CD1-CD1 3.85Å; I1452-L1478 HydrophobicContact CD1-CD2 4.22Å; I1452-L1478 HydrophobicContact CD1-CG 4.15Å; I1475-L1478 HydrophobicContact CG1-CD1 4.41Å; L1478-F1480 HydrophobicContact CB-CE1 4.37Å; L1478-F1480 HydrophobicContact CB-CE2 4.29Å; L1478-F1480 HydrophobicContact CB-CZ 3.9Å; L1478-F1480 HydrophobicContact CD1-CZ 4.32Å; L1478-T1485 HydrophobicContact CB-CG2 4.39Å; L1478-T1485 HydrophobicContact CD2-CG2 4.28Å; L1478-L1493 HydrophobicContact CD1-CD1 4.32Å; L1478-L1493 HydrophobicContact CD1-CD2 4.05Å; L1478-L1493 HydrophobicContact CD1-CG 4.43Å | ||
| 1479 | E | 85.1 | Confident | 85.2 | Confident | 127 Ų | 127 | 56.9 Ų | 56.9 | 59% | 0.593 | 30% | 0.304 | S | S | * | . | trans | -102.3 | 112.1 | 175.3 | -66.5 | 165 | 149.8 | 0 | 0 | 108.5 | Q1445 C1477 D1481 D1482 T1485 | Q1445-E1479 PolarHBondContact NE2-OE2 2.88Å; C1477-E1479 PolarHBondContact O-N 2.85Å; E1479-D1481 VanDerWaalsContact C-N 3.27Å; E1479-D1481 PolarHBondContact O-N 3.11Å; E1479-D1482 WeakPolarHBondContact O-CB 3.19Å; E1479-D1482 PolarHBondContact O-N 2.83Å; E1479-T1485 WeakPolarHBondContact O-CB 3.49Å; E1479-T1485 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1480 | F | 81.3 | Confident | 85 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15 | -173.2 | -63.1 | -75.1 | 0 | 0 | 0 | 114.1 | L1478 D1482 T1485 L1493 L1532 I1536 | L1478-F1480 HydrophobicContact CB-CE1 4.37Å; L1478-F1480 HydrophobicContact CB-CE2 4.29Å; L1478-F1480 HydrophobicContact CB-CZ 3.9Å; L1478-F1480 HydrophobicContact CD1-CZ 4.32Å; F1480-D1482 VanDerWaalsContact C-N 3.28Å; F1480-T1485 HydrophobicContact CD1-CG2 3.71Å; F1480-T1485 HydrophobicContact CE1-CG2 3.95Å; F1480-T1485 HydrophobicContact CG-CG2 4.42Å; F1480-L1493 HydrophobicContact CE1-CD1 3.98Å; F1480-L1493 HydrophobicContact CZ-CD1 4.26Å; F1480-L1532 HydrophobicContact CE2-CD2 3.86Å; F1480-L1532 HydrophobicContact CZ-CB 4.23Å; F1480-L1532 HydrophobicContact CZ-CD1 4.24Å; F1480-L1532 HydrophobicContact CZ-CD2 4.2Å; F1480-L1532 HydrophobicContact CZ-CG 4.46Å; F1480-I1536 HydrophobicContact CD1-CD1 3.67Å; F1480-I1536 HydrophobicContact CD1-CG1 3.78Å; F1480-I1536 HydrophobicContact CE1-CD1 3.55Å; F1480-I1536 HydrophobicContact CE1-CG1 4.08Å; F1480-I1536 HydrophobicContact CG-CG1 4.38Å; F1480-I1536 HydrophobicContact CZ-CD1 4.46Å |
| 1481 | D | 76.7 | Confident | 84.7 | Confident | 169 Ų | 169 | 58 Ų | 58 | 90% | 0.904 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11 | 171.9 | -55 | -50.9 | 0 | 0 | 0 | 112.7 | E1479 | E1479-D1481 VanDerWaalsContact C-N 3.27Å; E1479-D1481 PolarHBondContact O-N 3.11Å |
| 1482 | D | 82.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -75.8 | 132.4 | 175.2 | 176.3 | 86.2 | 0 | 0 | 0 | 111.5 | Q1445 E1479 F1480 T1484 T1485 S1486 | Q1445-D1482 HydrophobicContact CB-CB 4.46Å; Q1445-D1482 HydrophobicContact CG-CB 3.83Å; E1479-D1482 WeakPolarHBondContact O-CB 3.19Å; E1479-D1482 PolarHBondContact O-N 2.83Å; F1480-D1482 VanDerWaalsContact C-N 3.28Å; D1482-T1484 PolarHBondContact O-N 3.07Å; D1482-T1484 VanDerWaalsContact O-N 3.16Å; D1482-T1484 VanDerWaalsContact OD2-CA 3.25Å; D1482-T1484 WeakPolarHBondContact OD2-CA 3.28Å; D1482-T1484 WeakPolarHBondContact OD2-CB 3.15Å; D1482-T1484 PolarHBondContact OD2-N 2.76Å; D1482-T1484 PolarHBondContact OD2-OG1 3.48Å; D1482-T1485 PolarHBondContact O-N 3.47Å; D1482-T1485 PolarHBondContact OD2-N 2.9Å; D1482-S1486 PolarHBondContact O-N 3.15Å; D1482-S1486 PolarHBondContact O-OG 2.92Å |
| 1483 | P | 75 | Confident | 84.4 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.2 | -18 | -177 | 26 | -35.7 | 0 | 0 | 0 | 114.7 | S1486 V1487 | P1483-S1486 WeakPolarHBondContact CA-OG 3.36Å; P1483-S1486 PolarHBondContact O-OG 3.35Å; P1483-V1487 VanDerWaalsContact O-CG2 3.27Å; P1483-V1487 WeakPolarHBondContact O-CG2 3.48Å |
| 1484 | T | 77.2 | Confident | 84.4 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -77.8 | -43 | 171.9 | -30 | 0 | 0 | 0 | 0 | 110.6 | N1446 L1449 D1482 H1488 | N1446-T1484 HydrophobicContact CB-CG2 4.27Å; L1449-T1484 HydrophobicContact CD1-CG2 4.01Å; D1482-T1484 PolarHBondContact O-N 3.07Å; D1482-T1484 VanDerWaalsContact O-N 3.16Å; D1482-T1484 VanDerWaalsContact OD2-CA 3.25Å; D1482-T1484 WeakPolarHBondContact OD2-CA 3.28Å; D1482-T1484 WeakPolarHBondContact OD2-CB 3.15Å; D1482-T1484 PolarHBondContact OD2-N 2.76Å; D1482-T1484 PolarHBondContact OD2-OG1 3.48Å; T1484-H1488 WeakPolarHBondContact O-CB 3.46Å; T1484-H1488 PolarHBondContact O-N 2.95Å |
| 1485 | T | 84.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.6 | -36.9 | -178.6 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | Q1445 L1478 E1479 F1480 D1482 G1489 | Q1445-T1485 PolarHBondContact OE1-OG1 2.59Å; Q1445-T1485 VanDerWaalsContact OE1-OG1 3.07Å; L1478-T1485 HydrophobicContact CB-CG2 4.39Å; L1478-T1485 HydrophobicContact CD2-CG2 4.28Å; E1479-T1485 WeakPolarHBondContact O-CB 3.49Å; E1479-T1485 WeakPolarHBondContact O-CG2 3.34Å; F1480-T1485 HydrophobicContact CD1-CG2 3.71Å; F1480-T1485 HydrophobicContact CE1-CG2 3.95Å; F1480-T1485 HydrophobicContact CG-CG2 4.42Å; D1482-T1485 PolarHBondContact O-N 3.47Å; D1482-T1485 PolarHBondContact OD2-N 2.9Å; T1485-G1489 WeakPolarHBondContact O-CA 3.38Å; T1485-G1489 PolarHBondContact O-N 2.81Å |
| 1486 | S | 80.2 | Confident | 84.5 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | D1482 P1483 P1490 | D1482-S1486 PolarHBondContact O-N 3.15Å; D1482-S1486 PolarHBondContact O-OG 2.92Å; P1483-S1486 WeakPolarHBondContact CA-OG 3.36Å; P1483-S1486 PolarHBondContact O-OG 3.35Å; S1486-P1490 VanDerWaalsContact O-CD 3.24Å; S1486-P1490 WeakPolarHBondContact O-CD 3.48Å; S1486-P1490 WeakPolarHBondContact O-CG 3.13Å |
| 1487 | V | 79.5 | Confident | 84.7 | Confident | 101 Ų | 101 | 55.2 Ų | 55.2 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76.4 | -38.2 | -178 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | P1483 | P1483-V1487 VanDerWaalsContact O-CG2 3.27Å; P1483-V1487 WeakPolarHBondContact O-CG2 3.48Å |
| 1488 | H | 83.6 | Confident | 84.9 | Confident | 101 Ų | 101 | 55.9 Ų | 55.9 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -110.5 | -23.5 | -172.7 | -60.2 | -47.3 | 0 | 0 | 0 | 114.9 | L1449 T1484 A1491 I1492 | L1449-H1488 HydrophobicContact CD1-CB 4.36Å; T1484-H1488 WeakPolarHBondContact O-CB 3.46Å; T1484-H1488 PolarHBondContact O-N 2.95Å; H1488-A1491 PolarHBondContact O-N 3.08Å; H1488-I1492 HydrophobicContact CB-CD1 4.29Å; H1488-I1492 WeakPolarHBondContact O-CG1 3.37Å; H1488-I1492 PolarHBondContact O-N 3.24Å |
| 1489 | G | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1485 A1491 I1492 L1493 | T1485-G1489 WeakPolarHBondContact O-CA 3.38Å; T1485-G1489 PolarHBondContact O-N 2.81Å; G1489-A1491 PolarHBondContact O-N 2.86Å; G1489-I1492 PolarHBondContact O-N 3.49Å; G1489-L1493 VanDerWaalsContact O-CB 3.32Å; G1489-L1493 WeakPolarHBondContact O-CB 3.29Å; G1489-L1493 VanDerWaalsContact O-CG 3.32Å; G1489-L1493 WeakPolarHBondContact O-CG 3.5Å; G1489-L1493 PolarHBondContact O-N 2.9Å |
| 1490 | P | 86.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -45.4 | -178.4 | -27.7 | 35.5 | 0 | 0 | 0 | 113.2 | S1486 H1494 F1533 I1536 | S1486-P1490 VanDerWaalsContact O-CD 3.24Å; S1486-P1490 WeakPolarHBondContact O-CD 3.48Å; S1486-P1490 WeakPolarHBondContact O-CG 3.13Å; P1490-H1494 VanDerWaalsContact O-CB 3.23Å; P1490-H1494 WeakPolarHBondContact O-CB 3.19Å; P1490-H1494 PolarHBondContact O-N 3.17Å; P1490-F1533 HydrophobicContact CB-CE2 4.41Å; P1490-F1533 WeakPolarHBondContact O-CE2 3.42Å; P1490-I1536 HydrophobicContact CG-CD1 4.48Å; P1490-I1536 HydrophobicContact CG-CG2 4.08Å |
| 1491 | A | 85.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 54 Ų | 54 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1488 G1489 H1494 L1495 | H1488-A1491 PolarHBondContact O-N 3.08Å; G1489-A1491 PolarHBondContact O-N 2.86Å; A1491-H1494 PolarHBondContact O-N 2.62Å; A1491-L1495 PolarHBondContact O-N 2.89Å |
| 1492 | I | 89 | Confident | 86.3 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.4 | -41 | -178.9 | -68.4 | 170.1 | 0 | 0 | 0 | 111 | L1449 I1452 H1453 H1488 G1489 L1495 L1496 | L1449-I1492 HydrophobicContact CB-CD1 3.91Å; L1449-I1492 HydrophobicContact CD2-CD1 4.19Å; I1452-I1492 HydrophobicContact CB-CG2 4.05Å; I1452-I1492 HydrophobicContact CG2-CG2 3.63Å; H1453-I1492 HydrophobicContact CB-CD1 4.34Å; H1453-I1492 HydrophobicContact CB-CG1 4.38Å; H1453-I1492 HydrophobicContact CB-CG2 4.15Å; H1488-I1492 HydrophobicContact CB-CD1 4.29Å; H1488-I1492 WeakPolarHBondContact O-CG1 3.37Å; H1488-I1492 PolarHBondContact O-N 3.24Å; G1489-I1492 PolarHBondContact O-N 3.49Å; I1492-L1495 PolarHBondContact O-N 2.81Å; I1492-L1496 PolarHBondContact O-N 2.9Å |
| 1493 | L | 90.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 173.5 | -69.7 | 175.7 | 0 | 0 | 0 | 111.7 | I1475 L1478 F1480 G1489 L1495 L1496 N1497 V1529 I1536 | I1475-L1493 HydrophobicContact CD1-CD2 4.19Å; I1475-L1493 HydrophobicContact CG1-CD2 4.22Å; L1478-L1493 HydrophobicContact CD1-CD1 4.32Å; L1478-L1493 HydrophobicContact CD1-CD2 4.05Å; L1478-L1493 HydrophobicContact CD1-CG 4.43Å; F1480-L1493 HydrophobicContact CE1-CD1 3.98Å; F1480-L1493 HydrophobicContact CZ-CD1 4.26Å; G1489-L1493 VanDerWaalsContact O-CB 3.32Å; G1489-L1493 WeakPolarHBondContact O-CB 3.29Å; G1489-L1493 VanDerWaalsContact O-CG 3.32Å; G1489-L1493 WeakPolarHBondContact O-CG 3.5Å; G1489-L1493 PolarHBondContact O-N 2.9Å; L1493-L1495 VanDerWaalsContact C-N 3.35Å; L1493-L1495 PolarHBondContact O-N 3.37Å; L1493-L1496 PolarHBondContact O-N 2.81Å; L1493-N1497 WeakPolarHBondContact O-CB 3.33Å; L1493-N1497 PolarHBondContact O-N 2.95Å; L1493-V1529 HydrophobicContact CB-CG1 4.17Å; L1493-V1529 HydrophobicContact CD2-CG1 4.28Å; L1493-V1529 HydrophobicContact CD2-CG2 4.49Å; L1493-V1529 WeakPolarHBondContact O-CG1 3.3Å; L1493-I1536 HydrophobicContact CD1-CD1 4.1Å |
| 1494 | H | 88.3 | Confident | 87 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 43% | 0.431 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.8 | -175.2 | -86.1 | 0 | 0 | 0 | 112.2 | P1490 A1491 N1497 T1498 F1533 | P1490-H1494 VanDerWaalsContact O-CB 3.23Å; P1490-H1494 WeakPolarHBondContact O-CB 3.19Å; P1490-H1494 PolarHBondContact O-N 3.17Å; A1491-H1494 PolarHBondContact O-N 2.62Å; H1494-N1497 WeakPolarHBondContact O-CB 3.39Å; H1494-N1497 PolarHBondContact O-N 3.09Å; H1494-T1498 WeakPolarHBondContact O-CB 3.4Å; H1494-T1498 PolarHBondContact O-N 2.83Å; H1494-T1498 PolarHBondContact O-OG1 2.89Å; H1494-F1533 HydrophobicContact CB-CD2 4.41Å; H1494-F1533 HydrophobicContact CB-CE2 3.88Å; H1494-F1533 HydrophobicContact CB-CZ 4.47Å |
| 1495 | L | 89.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 174.7 | 177.8 | 63.4 | 0 | 0 | 0 | 111.7 | A1491 I1492 L1493 N1497 T1498 R1499 | A1491-L1495 PolarHBondContact O-N 2.89Å; I1492-L1495 PolarHBondContact O-N 2.81Å; L1493-L1495 VanDerWaalsContact C-N 3.35Å; L1493-L1495 PolarHBondContact O-N 3.37Å; L1495-N1497 VanDerWaalsContact C-N 3.33Å; L1495-N1497 PolarHBondContact O-N 2.89Å; L1495-T1498 PolarHBondContact O-N 2.87Å; L1495-R1499 HydrophobicContact CD1-CG 4.24Å; L1495-R1499 VanDerWaalsContact O-CG 3.25Å; L1495-R1499 WeakPolarHBondContact O-CG 3.49Å; L1495-R1499 PolarHBondContact O-N 3.11Å |
| 1496 | L | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 176.5 | 172.4 | 63.7 | 0 | 0 | 0 | 111.1 | I1452 S1456 L1471 I1475 I1492 L1493 T1498 R1499 L1500 V1529 | I1452-L1496 HydrophobicContact CG2-CD2 4.12Å; S1456-L1496 WeakPolarHBondContact OG-CD1 3.23Å; L1471-L1496 HydrophobicContact CD1-CD1 3.94Å; L1471-L1496 HydrophobicContact CD2-CD1 4.39Å; L1471-L1496 HydrophobicContact CD2-CD2 4.27Å; I1475-L1496 HydrophobicContact CD1-CD2 3.34Å; I1492-L1496 PolarHBondContact O-N 2.9Å; L1493-L1496 PolarHBondContact O-N 2.81Å; L1496-T1498 PolarHBondContact O-N 2.81Å; L1496-R1499 PolarHBondContact O-N 3Å; L1496-R1499 VanDerWaalsContact O-N 3.14Å; L1496-L1500 HydrophobicContact CD1-CD1 3.77Å; L1496-L1500 HydrophobicContact CD1-CD2 4.12Å; L1496-L1500 HydrophobicContact CD1-CG 3.71Å; L1496-L1500 HydrophobicContact CD2-CD1 4.35Å; L1496-L1500 HydrophobicContact CG-CD1 3.77Å; L1496-L1500 HydrophobicContact CG-CG 4.14Å; L1496-L1500 WeakPolarHBondContact O-CG 3.47Å; L1496-L1500 PolarHBondContact O-N 3.05Å; L1496-V1529 HydrophobicContact CD2-CG2 3.75Å; L1496-V1529 HydrophobicContact CG-CG2 4.43Å |
| 1497 | N | 91.8 | Very high | 85.8 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.1 | -53.6 | 176.9 | -177.3 | 34.9 | 0 | 0 | 0 | 111.9 | L1493 H1494 L1495 R1499 L1500 D1501 V1529 K1530 | L1493-N1497 WeakPolarHBondContact O-CB 3.33Å; L1493-N1497 PolarHBondContact O-N 2.95Å; H1494-N1497 WeakPolarHBondContact O-CB 3.39Å; H1494-N1497 PolarHBondContact O-N 3.09Å; L1495-N1497 VanDerWaalsContact C-N 3.33Å; L1495-N1497 PolarHBondContact O-N 2.89Å; N1497-R1499 VanDerWaalsContact C-N 3.28Å; N1497-R1499 PolarHBondContact O-N 3.45Å; N1497-L1500 PolarHBondContact O-N 2.88Å; N1497-D1501 PolarHBondContact O-N 2.79Å; N1497-V1529 HydrophobicContact CB-CG1 3.83Å; N1497-K1530 WeakPolarHBondContact OD1-CE 3.31Å; N1497-K1530 WeakPolarHBondContact OD1-CG 3.34Å |
| 1498 | T | 90.5 | Very high | 85 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | H1494 L1495 L1496 T1502 | H1494-T1498 WeakPolarHBondContact O-CB 3.4Å; H1494-T1498 PolarHBondContact O-N 2.83Å; H1494-T1498 PolarHBondContact O-OG1 2.89Å; L1495-T1498 PolarHBondContact O-N 2.87Å; L1496-T1498 PolarHBondContact O-N 2.81Å; T1498-T1502 WeakPolarHBondContact O-CB 3.38Å; T1498-T1502 PolarHBondContact O-N 2.85Å; T1498-T1502 PolarHBondContact O-OG1 2.78Å |
| 1499 | R | 90.1 | Very high | 83.6 | Confident | 115 Ų | 115 | 51.4 Ų | 51.4 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.8 | -36.8 | 179.7 | -66.8 | -70.9 | -169.6 | -151.1 | 1.1 | 112.5 | L1460 L1495 L1496 N1497 T1502 L1503 | L1460-R1499 HydrophobicContact CD1-CB 3.65Å; L1495-R1499 HydrophobicContact CD1-CG 4.24Å; L1495-R1499 VanDerWaalsContact O-CG 3.25Å; L1495-R1499 WeakPolarHBondContact O-CG 3.49Å; L1495-R1499 PolarHBondContact O-N 3.11Å; L1496-R1499 PolarHBondContact O-N 3Å; L1496-R1499 VanDerWaalsContact O-N 3.14Å; N1497-R1499 VanDerWaalsContact C-N 3.28Å; N1497-R1499 PolarHBondContact O-N 3.45Å; R1499-T1502 PolarHBondContact O-N 2.96Å; R1499-L1503 WeakPolarHBondContact O-CB 3.35Å; R1499-L1503 PolarHBondContact O-N 3.32Å |
| 1500 | L | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | 175.2 | -66.5 | 173 | 0 | 0 | 0 | 112.1 | L1460 L1496 N1497 L1503 L1504 V1522 L1525 N1526 | L1460-L1500 HydrophobicContact CD1-CD2 4.5Å; L1496-L1500 HydrophobicContact CD1-CD1 3.77Å; L1496-L1500 HydrophobicContact CD1-CD2 4.12Å; L1496-L1500 HydrophobicContact CD1-CG 3.71Å; L1496-L1500 HydrophobicContact CD2-CD1 4.35Å; L1496-L1500 HydrophobicContact CG-CD1 3.77Å; L1496-L1500 HydrophobicContact CG-CG 4.14Å; L1496-L1500 WeakPolarHBondContact O-CG 3.47Å; L1496-L1500 PolarHBondContact O-N 3.05Å; N1497-L1500 PolarHBondContact O-N 2.88Å; L1500-L1503 PolarHBondContact O-N 2.92Å; L1500-L1504 WeakPolarHBondContact O-CG 3.41Å; L1500-L1504 PolarHBondContact O-N 2.85Å; L1500-V1522 HydrophobicContact CD2-CG1 4.05Å; L1500-L1525 HydrophobicContact CD1-CB 4.45Å; L1500-L1525 HydrophobicContact CD1-CD2 4.01Å; L1500-L1525 HydrophobicContact CD1-CG 3.92Å; L1500-L1525 HydrophobicContact CD2-CD2 4.36Å; L1500-N1526 HydrophobicContact CB-CB 4.13Å; L1500-N1526 HydrophobicContact CD1-CB 4.1Å |
| 1501 | D | 90.2 | Very high | 79.5 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.4 | -86.7 | -14.4 | 0 | 0 | 0 | 111.3 | N1497 L1503 L1504 N1505 N1526 K1530 | N1497-D1501 PolarHBondContact O-N 2.79Å; D1501-L1503 VanDerWaalsContact C-N 3.33Å; D1501-L1503 PolarHBondContact O-N 2.91Å; D1501-L1504 PolarHBondContact O-N 3.14Å; D1501-N1505 WeakPolarHBondContact O-CB 3.23Å; D1501-N1505 VanDerWaalsContact O-CG 3.23Å; D1501-N1505 PolarHBondContact O-N 3.48Å; D1501-N1505 PolarHBondContact O-ND2 3.25Å; D1501-N1526 PolarHBondContact N-ND2 2.8Å; D1501-N1526 PolarHBondContact OD1-ND2 2.83Å; D1501-K1530 IonicContact OD1-NZ 2.69Å; D1501-K1530 PolarHBondContact OD1-NZ 2.8Å; D1501-K1530 WeakPolarHBondContact OD2-CE 3.28Å; D1501-K1530 IonicContact OD2-NZ 3.13Å; D1501-K1530 PolarHBondContact OD2-NZ 2.85Å |
| 1502 | T | 87.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.1 | -49.2 | 173.6 | -56 | 0 | 0 | 0 | 0 | 110.9 | T1498 R1499 L1504 N1505 S1506 | T1498-T1502 WeakPolarHBondContact O-CB 3.38Å; T1498-T1502 PolarHBondContact O-N 2.85Å; T1498-T1502 PolarHBondContact O-OG1 2.78Å; R1499-T1502 PolarHBondContact O-N 2.96Å; T1502-L1504 PolarHBondContact O-N 3.44Å; T1502-N1505 PolarHBondContact O-N 3.42Å; T1502-S1506 PolarHBondContact O-N 2.69Å; T1502-S1506 PolarHBondContact O-OG 2.93Å; T1502-S1506 VanDerWaalsContact O-OG 3.1Å |
| 1503 | L | 85.5 | Confident | 76.4 | Confident | 13 Ų | 13 | 76 Ų | 76 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.3 | -177.6 | 65.6 | 0 | 0 | 0 | 112.5 | L1460 T1461 L1464 R1499 L1500 D1501 N1505 T1507 I1514 V1522 | L1460-L1503 HydrophobicContact CB-CD2 4.24Å; T1461-L1503 HydrophobicContact CG2-CD1 3.77Å; L1464-L1503 HydrophobicContact CD1-CD2 3.77Å; L1464-L1503 HydrophobicContact CD2-CD2 4.38Å; R1499-L1503 WeakPolarHBondContact O-CB 3.35Å; R1499-L1503 PolarHBondContact O-N 3.32Å; L1500-L1503 PolarHBondContact O-N 2.92Å; D1501-L1503 VanDerWaalsContact C-N 3.33Å; D1501-L1503 PolarHBondContact O-N 2.91Å; L1503-N1505 PolarHBondContact O-N 3.4Å; L1503-T1507 WeakPolarHBondContact O-CB 3.11Å; L1503-T1507 PolarHBondContact O-N 3.39Å; L1503-T1507 VanDerWaalsContact O-N 3.13Å; L1503-T1507 PolarHBondContact O-OG1 3.47Å; L1503-I1514 HydrophobicContact CD1-CD1 3.87Å; L1503-I1514 HydrophobicContact CG-CD1 4.4Å; L1503-V1522 HydrophobicContact CD2-CG1 4.14Å; L1503-V1522 HydrophobicContact CD2-CG2 3.97Å |
| 1504 | L | 86.7 | Confident | 75.5 | Confident | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.131 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 179.1 | -72.9 | 175.2 | 0 | 0 | 0 | 112.4 | L1500 D1501 T1502 T1507 R1519 V1522 I1523 N1526 | L1500-L1504 WeakPolarHBondContact O-CG 3.41Å; L1500-L1504 PolarHBondContact O-N 2.85Å; D1501-L1504 PolarHBondContact O-N 3.14Å; T1502-L1504 PolarHBondContact O-N 3.44Å; L1504-T1507 PolarHBondContact O-N 2.95Å; L1504-R1519 HydrophobicContact CD2-CG 4.19Å; L1504-R1519 PolarHBondContact O-NH2 3.15Å; L1504-R1519 VanDerWaalsContact O-NH2 3.09Å; L1504-V1522 HydrophobicContact CD1-CG1 4.14Å; L1504-V1522 HydrophobicContact CD2-CB 4.07Å; L1504-V1522 HydrophobicContact CD2-CG1 3.56Å; L1504-V1522 HydrophobicContact CG-CG1 3.64Å; L1504-I1523 HydrophobicContact CD1-CG1 4Å; L1504-I1523 HydrophobicContact CD2-CD1 4.4Å; L1504-I1523 HydrophobicContact CD2-CG1 3.66Å; L1504-N1526 HydrophobicContact CD1-CB 4.43Å |
| 1505 | N | 81.2 | Confident | 75.1 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 178.2 | -68.7 | -18 | 0 | 0 | 0 | 111.5 | D1501 T1502 L1503 T1507 N1508 | D1501-N1505 WeakPolarHBondContact O-CB 3.23Å; D1501-N1505 VanDerWaalsContact O-CG 3.23Å; D1501-N1505 PolarHBondContact O-N 3.48Å; D1501-N1505 PolarHBondContact O-ND2 3.25Å; T1502-N1505 PolarHBondContact O-N 3.42Å; L1503-N1505 PolarHBondContact O-N 3.4Å; N1505-T1507 PolarHBondContact O-N 2.83Å; N1505-N1508 PolarHBondContact O-N 3.26Å |
| 1506 | S | 73 | Confident | 74.6 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -28.9 | 173.8 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | T1502 N1508 | T1502-S1506 PolarHBondContact O-N 2.69Å; T1502-S1506 PolarHBondContact O-OG 2.93Å; T1502-S1506 VanDerWaalsContact O-OG 3.1Å; S1506-N1508 VanDerWaalsContact C-N 3.31Å; S1506-N1508 PolarHBondContact O-N 3.32Å |
| 1507 | T | 63.9 | Low | 74.1 | Confident | 27 Ų | 27 | 85.2 Ų | 85.2 | 17% | 0.166 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -83.1 | 0.2 | 179.1 | -42.5 | 0 | 0 | 0 | 0 | 113.2 | L1503 L1504 N1505 I1514 R1519 | L1503-T1507 WeakPolarHBondContact O-CB 3.11Å; L1503-T1507 PolarHBondContact O-N 3.39Å; L1503-T1507 VanDerWaalsContact O-N 3.13Å; L1503-T1507 PolarHBondContact O-OG1 3.47Å; L1504-T1507 PolarHBondContact O-N 2.95Å; N1505-T1507 PolarHBondContact O-N 2.83Å; T1507-I1514 HydrophobicContact CG2-CB 4.15Å; T1507-I1514 HydrophobicContact CG2-CD1 4.25Å; T1507-R1519 PolarHBondContact O-NH1 3.39Å; T1507-R1519 PolarHBondContact O-NH2 3.31Å |
| 1508 | N | 61.4 | Low | 73.7 | Confident | 107 Ų | 107 | 85.8 Ų | 85.8 | 57% | 0.572 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -85.1 | -35.4 | 168.9 | -84.2 | -12.3 | 0 | 0 | 0 | 112.9 | N1505 S1506 R1519 | N1505-N1508 PolarHBondContact O-N 3.26Å; S1506-N1508 VanDerWaalsContact C-N 3.31Å; S1506-N1508 PolarHBondContact O-N 3.32Å; N1508-R1519 PolarHBondContact OD1-NH2 2.84Å |
| 1509 | N | 55.2 | Low | 73.5 | Confident | 140 Ų | 140 | 85.5 Ų | 85.5 | 75% | 0.749 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -96.1 | -7.1 | -167 | -65.8 | 9.9 | 0 | 0 | 0 | 114.3 | ||
| 1510 | N | 44.9 | Very low | 73.2 | Confident | 129 Ų | 129 | 85 Ų | 85 | 69% | 0.69 | 46% | 0.459 | S | S | * | . | trans | -133.8 | 108.9 | -178.7 | -84 | -57.2 | 0 | 0 | 0 | 112.7 | N1512 | N1510-N1512 PolarHBondContact O-N 2.93Š| ||
| 1511 | N | 41.6 | Very low | 73.3 | Confident | 162 Ų | 162 | 87.6 Ų | 87.6 | 87% | 0.866 | 47% | 0.468 | S | S | * | . | trans | -71.9 | 85.7 | 169.8 | -79.8 | -31.1 | 0 | 0 | 0 | 111 | ||||
| 1512 | N | 50.4 | Low | 73.2 | Confident | 151 Ų | 151 | 85.3 Ų | 85.3 | 81% | 0.807 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 164.5 | 112.7 | 140.9 | -87.4 | -41 | 0 | 0 | 0 | 112.5 | N1510 | N1510-N1512 PolarHBondContact O-N 2.93Š|
| 1513 | K | 60.1 | Low | 73.2 | Confident | 208 Ų | 208 | 84.4 Ų | 84.4 | 90% | 0.904 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 168.3 | -29.3 | 136.3 | -96.6 | 169.7 | -178 | 179.7 | 0 | 114.5 | ||
| 1514 | I | 71 | Confident | 73.4 | Confident | 43 Ų | 43 | 90.8 Ų | 90.8 | 22% | 0.221 | 48% | 0.475 | C | S | . | . | trans | -90.6 | 131.5 | -178.9 | -64.8 | 174.7 | 0 | 0 | 0 | 110 | L1464 L1503 T1507 L1518 R1519 | L1464-I1514 HydrophobicContact CD2-CD1 3.81Å; L1464-I1514 HydrophobicContact CD2-CG1 3.99Å; L1464-I1514 HydrophobicContact CD2-CG2 4.18Å; L1503-I1514 HydrophobicContact CD1-CD1 3.87Å; L1503-I1514 HydrophobicContact CG-CD1 4.4Å; T1507-I1514 HydrophobicContact CG2-CB 4.15Å; T1507-I1514 HydrophobicContact CG2-CD1 4.25Å; I1514-L1518 HydrophobicContact CG2-CB 3.97Å; I1514-R1519 HydrophobicContact CG2-CB 4.2Å | ||
| 1515 | T | 80.3 | Confident | 73.6 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | trans | -78.1 | 151.8 | 177.3 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | S1517 L1518 R1519 | T1515-S1517 PolarHBondContact O-N 3.45Å; T1515-S1517 VanDerWaalsContact O-N 3.15Å; T1515-L1518 PolarHBondContact O-N 2.81Å; T1515-L1518 PolarHBondContact OG1-N 3.19Å; T1515-R1519 PolarHBondContact O-N 3.45Å | ||
| 1516 | N | 78.9 | Confident | 74.1 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.2 | -31.8 | 178.1 | -68.3 | -6.5 | 0 | 0 | 0 | 112.9 | R1519 N1520 | N1516-R1519 PolarHBondContact O-N 3.34Å; N1516-N1520 WeakPolarHBondContact O-CB 3.2Å; N1516-N1520 PolarHBondContact O-N 2.76Å; N1516-N1520 PolarHBondContact O-ND2 3.33Å; N1516-N1520 PolarHBondContact O-OD1 2.79Å |
| 1517 | S | 82 | Confident | 74.8 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 57% | 0.573 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 174 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | T1515 N1520 R1521 | T1515-S1517 PolarHBondContact O-N 3.45Å; T1515-S1517 VanDerWaalsContact O-N 3.15Å; S1517-N1520 PolarHBondContact O-N 2.72Å; S1517-R1521 PolarHBondContact O-N 3.14Å; S1517-R1521 VanDerWaalsContact O-N 3.11Å |
| 1518 | L | 83.8 | Confident | 76 | Confident | 32 Ų | 32 | 91.1 Ų | 91.1 | 17% | 0.168 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.1 | -71.4 | 171.7 | 0 | 0 | 0 | 111.3 | L1464 D1465 L1468 I1514 T1515 N1520 R1521 V1522 | L1464-L1518 HydrophobicContact CD2-CB 4.39Å; D1465-L1518 HydrophobicContact CB-CD2 3.77Å; L1468-L1518 HydrophobicContact CD1-CD2 4.17Å; I1514-L1518 HydrophobicContact CG2-CB 3.97Å; T1515-L1518 PolarHBondContact O-N 2.81Å; T1515-L1518 PolarHBondContact OG1-N 3.19Å; L1518-N1520 VanDerWaalsContact C-N 3.31Å; L1518-N1520 PolarHBondContact O-N 2.75Å; L1518-R1521 PolarHBondContact O-N 3.4Å; L1518-V1522 WeakPolarHBondContact O-CG2 3.37Å; L1518-V1522 PolarHBondContact O-N 3.26Å |
| 1519 | R | 85.2 | Confident | 77.3 | Confident | 57 Ų | 57 | 86 Ų | 86 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58 | -43 | 176.6 | -165.5 | 174 | -167.7 | 153.6 | 10.2 | 112 | L1504 T1507 N1508 I1514 T1515 N1516 R1521 V1522 I1523 | L1504-R1519 HydrophobicContact CD2-CG 4.19Å; L1504-R1519 PolarHBondContact O-NH2 3.15Å; L1504-R1519 VanDerWaalsContact O-NH2 3.09Å; T1507-R1519 PolarHBondContact O-NH1 3.39Å; T1507-R1519 PolarHBondContact O-NH2 3.31Å; N1508-R1519 PolarHBondContact OD1-NH2 2.84Å; I1514-R1519 HydrophobicContact CG2-CB 4.2Å; T1515-R1519 PolarHBondContact O-N 3.45Å; N1516-R1519 PolarHBondContact O-N 3.34Å; R1519-R1521 VanDerWaalsContact C-N 3.34Å; R1519-R1521 PolarHBondContact O-N 2.92Å; R1519-V1522 PolarHBondContact O-N 3.04Å; R1519-I1523 HydrophobicContact CG-CD1 4.26Å; R1519-I1523 VanDerWaalsContact O-CG1 3.32Å; R1519-I1523 WeakPolarHBondContact O-CG1 3.21Å; R1519-I1523 PolarHBondContact O-N 3.12Å |
| 1520 | N | 85.4 | Confident | 78.8 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.3 | -35.4 | 175.7 | -71.8 | -9.1 | 0 | 0 | 0 | 112.5 | N1516 S1517 L1518 I1523 K1524 | N1516-N1520 WeakPolarHBondContact O-CB 3.2Å; N1516-N1520 PolarHBondContact O-N 2.76Å; N1516-N1520 PolarHBondContact O-ND2 3.33Å; N1516-N1520 PolarHBondContact O-OD1 2.79Å; S1517-N1520 PolarHBondContact O-N 2.72Å; L1518-N1520 VanDerWaalsContact C-N 3.31Å; L1518-N1520 PolarHBondContact O-N 2.75Å; N1520-I1523 PolarHBondContact O-N 2.72Å; N1520-K1524 WeakPolarHBondContact O-CB 3.5Å; N1520-K1524 PolarHBondContact O-N 2.77Å |
| 1521 | R | 90.9 | Very high | 80.6 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 172.8 | -78.4 | 179.5 | 64.1 | -143.6 | -2.9 | 112.9 | D1465 L1468 Q1472 S1517 L1518 R1519 K1524 L1525 | D1465-R1521 IonicContact OD1-CZ 2.73Å; D1465-R1521 IonicContact OD1-NH1 4Å; D1465-R1521 PolarHBondContact OD1-NH1 2.82Å; L1468-R1521 HydrophobicContact CD1-CB 4.2Å; L1468-R1521 PolarHBondContact O-NH2 2.69Å; Q1472-R1521 PolarHBondContact NE2-O 3.28Å; Q1472-R1521 VanDerWaalsContact OE1-CZ 3.29Å; S1517-R1521 PolarHBondContact O-N 3.14Å; S1517-R1521 VanDerWaalsContact O-N 3.11Å; L1518-R1521 PolarHBondContact O-N 3.4Å; R1519-R1521 VanDerWaalsContact C-N 3.34Å; R1519-R1521 PolarHBondContact O-N 2.92Å; R1521-K1524 PolarHBondContact O-N 3.26Å; R1521-L1525 WeakPolarHBondContact O-CB 3.35Å; R1521-L1525 PolarHBondContact O-N 2.93Å |
| 1522 | V | 89.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | L1464 L1468 L1500 L1503 L1504 L1518 R1519 K1524 L1525 N1526 | L1464-V1522 HydrophobicContact CD1-CG2 4.26Å; L1464-V1522 HydrophobicContact CD2-CG2 4.42Å; L1468-V1522 HydrophobicContact CD1-CG2 3.75Å; L1468-V1522 HydrophobicContact CD2-CG2 4.13Å; L1500-V1522 HydrophobicContact CD2-CG1 4.05Å; L1503-V1522 HydrophobicContact CD2-CG1 4.14Å; L1503-V1522 HydrophobicContact CD2-CG2 3.97Å; L1504-V1522 HydrophobicContact CD1-CG1 4.14Å; L1504-V1522 HydrophobicContact CD2-CB 4.07Å; L1504-V1522 HydrophobicContact CD2-CG1 3.56Å; L1504-V1522 HydrophobicContact CG-CG1 3.64Å; L1518-V1522 WeakPolarHBondContact O-CG2 3.37Å; L1518-V1522 PolarHBondContact O-N 3.26Å; R1519-V1522 PolarHBondContact O-N 3.04Å; V1522-K1524 PolarHBondContact O-N 3.41Å; V1522-L1525 PolarHBondContact O-N 3.35Å; V1522-N1526 WeakPolarHBondContact O-CB 3.47Å; V1522-N1526 PolarHBondContact O-N 3.43Å |
| 1523 | I | 87.7 | Confident | 83.7 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 178.6 | -66.6 | 166.2 | 0 | 0 | 0 | 111.3 | L1504 R1519 N1520 R1527 | L1504-I1523 HydrophobicContact CD1-CG1 4Å; L1504-I1523 HydrophobicContact CD2-CD1 4.4Å; L1504-I1523 HydrophobicContact CD2-CG1 3.66Å; R1519-I1523 HydrophobicContact CG-CD1 4.26Å; R1519-I1523 VanDerWaalsContact O-CG1 3.32Å; R1519-I1523 WeakPolarHBondContact O-CG1 3.21Å; R1519-I1523 PolarHBondContact O-N 3.12Å; N1520-I1523 PolarHBondContact O-N 2.72Å; I1523-R1527 WeakPolarHBondContact O-CG 3.1Å; I1523-R1527 PolarHBondContact O-N 2.88Å |
| 1524 | K | 88.7 | Confident | 84.3 | Confident | 146 Ų | 146 | 66.8 Ų | 66.8 | 64% | 0.635 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.7 | -49.3 | 177.6 | -170 | -174.8 | 177.4 | -168.1 | 0 | 111.3 | N1520 R1521 V1522 N1526 R1527 T1528 | N1520-K1524 WeakPolarHBondContact O-CB 3.5Å; N1520-K1524 PolarHBondContact O-N 2.77Å; R1521-K1524 PolarHBondContact O-N 3.26Å; V1522-K1524 PolarHBondContact O-N 3.41Å; K1524-N1526 PolarHBondContact O-N 2.92Å; K1524-R1527 PolarHBondContact O-N 3.06Å; K1524-T1528 PolarHBondContact O-N 3.04Å; K1524-T1528 PolarHBondContact O-OG1 3.22Å |
| 1525 | L | 91.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 179.7 | -178.8 | 62.5 | 0 | 0 | 0 | 111.8 | L1468 L1471 Q1472 I1475 L1500 R1521 V1522 R1527 T1528 V1529 | L1468-L1525 HydrophobicContact CD2-CD2 3.65Å; L1471-L1525 HydrophobicContact CB-CD2 3.84Å; L1471-L1525 HydrophobicContact CD1-CD2 4.44Å; Q1472-L1525 HydrophobicContact CG-CB 4.41Å; Q1472-L1525 HydrophobicContact CG-CD1 3.96Å; Q1472-L1525 HydrophobicContact CG-CD2 4.44Å; I1475-L1525 HydrophobicContact CD1-CD1 3.88Å; L1500-L1525 HydrophobicContact CD1-CB 4.45Å; L1500-L1525 HydrophobicContact CD1-CD2 4.01Å; L1500-L1525 HydrophobicContact CD1-CG 3.92Å; L1500-L1525 HydrophobicContact CD2-CD2 4.36Å; R1521-L1525 WeakPolarHBondContact O-CB 3.35Å; R1521-L1525 PolarHBondContact O-N 2.93Å; V1522-L1525 PolarHBondContact O-N 3.35Å; L1525-R1527 VanDerWaalsContact C-N 3.33Å; L1525-R1527 PolarHBondContact O-N 3.39Å; L1525-T1528 PolarHBondContact O-N 3.36Å; L1525-T1528 VanDerWaalsContact O-N 3.16Å; L1525-V1529 HydrophobicContact CD1-CG2 4.37Å; L1525-V1529 WeakPolarHBondContact O-CG2 3.34Å; L1525-V1529 PolarHBondContact O-N 3.2Å |
| 1526 | N | 91 | Very high | 83.3 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 176.6 | -179.4 | -51.2 | 0 | 0 | 0 | 111.5 | L1500 D1501 L1504 V1522 K1524 V1529 K1530 | L1500-N1526 HydrophobicContact CB-CB 4.13Å; L1500-N1526 HydrophobicContact CD1-CB 4.1Å; D1501-N1526 PolarHBondContact N-ND2 2.8Å; D1501-N1526 PolarHBondContact OD1-ND2 2.83Å; L1504-N1526 HydrophobicContact CD1-CB 4.43Å; V1522-N1526 WeakPolarHBondContact O-CB 3.47Å; V1522-N1526 PolarHBondContact O-N 3.43Å; K1524-N1526 PolarHBondContact O-N 2.92Å; N1526-V1529 PolarHBondContact O-N 2.64Å; N1526-K1530 WeakPolarHBondContact O-CB 3.49Å; N1526-K1530 WeakPolarHBondContact O-CG 3.42Å; N1526-K1530 PolarHBondContact O-N 3.29Å; N1526-K1530 WeakPolarHBondContact OD1-CD 3.4Å; N1526-K1530 WeakPolarHBondContact OD1-CE 3.45Å; N1526-K1530 PolarHBondContact OD1-NZ 2.82Å |
| 1527 | R | 88.3 | Confident | 82.3 | Confident | 176 Ų | 176 | 64.9 Ų | 64.9 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 173.8 | -73.3 | 176.7 | -179.7 | -178 | -0.1 | 112.6 | I1523 K1524 L1525 K1530 C1531 | I1523-R1527 WeakPolarHBondContact O-CG 3.1Å; I1523-R1527 PolarHBondContact O-N 2.88Å; K1524-R1527 PolarHBondContact O-N 3.06Å; L1525-R1527 VanDerWaalsContact C-N 3.33Å; L1525-R1527 PolarHBondContact O-N 3.39Å; R1527-K1530 PolarHBondContact O-N 2.81Å; R1527-C1531 PolarHBondContact O-N 2.79Å; R1527-C1531 PolarHBondContact O-SG 2.78Å |
| 1528 | T | 88.5 | Confident | 80.9 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 176.1 | -63 | 0 | 0 | 0 | 0 | 111.4 | I1475 K1524 L1525 K1530 C1531 L1532 | I1475-T1528 HydrophobicContact CG2-CG2 4.17Å; K1524-T1528 PolarHBondContact O-N 3.04Å; K1524-T1528 PolarHBondContact O-OG1 3.22Å; L1525-T1528 PolarHBondContact O-N 3.36Å; L1525-T1528 VanDerWaalsContact O-N 3.16Å; T1528-K1530 VanDerWaalsContact C-N 3.34Å; T1528-K1530 PolarHBondContact O-N 3.38Å; T1528-C1531 WeakPolarHBondContact O-CB 3.28Å; T1528-C1531 PolarHBondContact O-N 2.76Å; T1528-C1531 VanDerWaalsContact O-N 3.17Å; T1528-L1532 HydrophobicContact CG2-CD1 4.02Å; T1528-L1532 HydrophobicContact CG2-CG 4.47Å; T1528-L1532 WeakPolarHBondContact O-CG 3.37Å; T1528-L1532 PolarHBondContact O-N 2.59Å |
| 1529 | V | 89.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | I1475 L1493 L1496 N1497 L1525 N1526 L1532 F1533 | I1475-V1529 HydrophobicContact CD1-CG2 3.71Å; L1493-V1529 HydrophobicContact CB-CG1 4.17Å; L1493-V1529 HydrophobicContact CD2-CG1 4.28Å; L1493-V1529 HydrophobicContact CD2-CG2 4.49Å; L1493-V1529 WeakPolarHBondContact O-CG1 3.3Å; L1496-V1529 HydrophobicContact CD2-CG2 3.75Å; L1496-V1529 HydrophobicContact CG-CG2 4.43Å; N1497-V1529 HydrophobicContact CB-CG1 3.83Å; L1525-V1529 HydrophobicContact CD1-CG2 4.37Å; L1525-V1529 WeakPolarHBondContact O-CG2 3.34Å; L1525-V1529 PolarHBondContact O-N 3.2Å; N1526-V1529 PolarHBondContact O-N 2.64Å; V1529-L1532 PolarHBondContact O-N 2.77Å; V1529-F1533 VanDerWaalsContact O-CB 3.28Å; V1529-F1533 WeakPolarHBondContact O-CB 3.38Å; V1529-F1533 PolarHBondContact O-N 3.2Å |
| 1530 | K | 85.2 | Confident | 77.4 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -30.5 | 175.9 | -74 | 178.7 | -177.9 | 171.4 | 0 | 113.7 | N1497 D1501 N1526 R1527 T1528 K1534 | N1497-K1530 WeakPolarHBondContact OD1-CE 3.31Å; N1497-K1530 WeakPolarHBondContact OD1-CG 3.34Å; D1501-K1530 IonicContact OD1-NZ 2.69Å; D1501-K1530 PolarHBondContact OD1-NZ 2.8Å; D1501-K1530 WeakPolarHBondContact OD2-CE 3.28Å; D1501-K1530 IonicContact OD2-NZ 3.13Å; D1501-K1530 PolarHBondContact OD2-NZ 2.85Å; N1526-K1530 WeakPolarHBondContact O-CB 3.49Å; N1526-K1530 WeakPolarHBondContact O-CG 3.42Å; N1526-K1530 PolarHBondContact O-N 3.29Å; N1526-K1530 WeakPolarHBondContact OD1-CD 3.4Å; N1526-K1530 WeakPolarHBondContact OD1-CE 3.45Å; N1526-K1530 PolarHBondContact OD1-NZ 2.82Å; R1527-K1530 PolarHBondContact O-N 2.81Å; T1528-K1530 VanDerWaalsContact C-N 3.34Å; T1528-K1530 PolarHBondContact O-N 3.38Å; K1530-K1534 WeakPolarHBondContact O-CB 3.27Å; K1530-K1534 PolarHBondContact O-N 3.33Å |
| 1531 | C | 83.5 | Confident | 75.2 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -54.9 | 171.3 | -73.9 | 0 | 0 | 0 | 0 | 110.9 | R1527 T1528 F1533 K1534 E1535 | R1527-C1531 PolarHBondContact O-N 2.79Å; R1527-C1531 PolarHBondContact O-SG 2.78Å; T1528-C1531 WeakPolarHBondContact O-CB 3.28Å; T1528-C1531 PolarHBondContact O-N 2.76Å; T1528-C1531 VanDerWaalsContact O-N 3.17Å; C1531-F1533 PolarHBondContact O-N 3.35Å; C1531-K1534 WeakPolarHBondContact O-CA 3.42Å; C1531-K1534 WeakPolarHBondContact O-CB 3.21Å; C1531-K1534 PolarHBondContact O-N 3.17Å; C1531-E1535 PolarHBondContact O-N 3.47Å |
| 1532 | L | 81.5 | Confident | 72.3 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | -178.7 | -65.1 | 172.5 | 0 | 0 | 0 | 111.9 | I1475 F1480 T1528 V1529 K1534 E1535 I1536 | I1475-L1532 HydrophobicContact CG2-CD1 3.47Å; I1475-L1532 VanDerWaalsContact CG2-CD1 3.47Å; F1480-L1532 HydrophobicContact CE2-CD2 3.86Å; F1480-L1532 HydrophobicContact CZ-CB 4.23Å; F1480-L1532 HydrophobicContact CZ-CD1 4.24Å; F1480-L1532 HydrophobicContact CZ-CD2 4.2Å; F1480-L1532 HydrophobicContact CZ-CG 4.46Å; T1528-L1532 HydrophobicContact CG2-CD1 4.02Å; T1528-L1532 HydrophobicContact CG2-CG 4.47Å; T1528-L1532 WeakPolarHBondContact O-CG 3.37Å; T1528-L1532 PolarHBondContact O-N 2.59Å; V1529-L1532 PolarHBondContact O-N 2.77Å; L1532-K1534 PolarHBondContact O-N 3.24Å; L1532-E1535 PolarHBondContact O-N 3.12Å; L1532-E1535 VanDerWaalsContact O-N 3.13Å; L1532-I1536 WeakPolarHBondContact O-CG1 3.11Å; L1532-I1536 PolarHBondContact O-N 3.1Å |
| 1533 | F | 75.9 | Confident | 71.5 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -34 | 175.7 | -172.4 | -93.6 | 0 | 0 | 0 | 112.6 | P1490 H1494 V1529 C1531 S1537 | P1490-F1533 HydrophobicContact CB-CE2 4.41Å; P1490-F1533 WeakPolarHBondContact O-CE2 3.42Å; H1494-F1533 HydrophobicContact CB-CD2 4.41Å; H1494-F1533 HydrophobicContact CB-CE2 3.88Å; H1494-F1533 HydrophobicContact CB-CZ 4.47Å; V1529-F1533 VanDerWaalsContact O-CB 3.28Å; V1529-F1533 WeakPolarHBondContact O-CB 3.38Å; V1529-F1533 PolarHBondContact O-N 3.2Å; C1531-F1533 PolarHBondContact O-N 3.35Å; F1533-S1537 WeakPolarHBondContact O-CB 3.23Å; F1533-S1537 PolarHBondContact O-N 2.84Å; F1533-S1537 VanDerWaalsContact O-N 3.11Å; F1533-S1537 PolarHBondContact O-OG 3.03Å |
| 1534 | K | 72 | Confident | 70.6 | Confident | 138 Ų | 138 | 88.4 Ų | 88.4 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -76.2 | -32.5 | 176.6 | -170.6 | 179.3 | 179.3 | -172.9 | 0 | 112.7 | K1530 C1531 L1532 S1537 L1538 | K1530-K1534 WeakPolarHBondContact O-CB 3.27Å; K1530-K1534 PolarHBondContact O-N 3.33Å; C1531-K1534 WeakPolarHBondContact O-CA 3.42Å; C1531-K1534 WeakPolarHBondContact O-CB 3.21Å; C1531-K1534 PolarHBondContact O-N 3.17Å; L1532-K1534 PolarHBondContact O-N 3.24Å; K1534-S1537 PolarHBondContact O-N 3.23Å; K1534-L1538 HydrophobicContact CG-CD1 4.35Å; K1534-L1538 WeakPolarHBondContact O-CD1 3.49Å; K1534-L1538 WeakPolarHBondContact O-CG 3.44Å; K1534-L1538 PolarHBondContact O-N 3.43Å |
| 1535 | E | 66.7 | Low | 69.6 | Low | 124 Ų | 124 | 85.2 Ų | 85.2 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.9 | -44.4 | 174.9 | -72.7 | 170.3 | 149.5 | 0 | 0 | 110.8 | C1531 L1532 S1537 L1538 S1539 | C1531-E1535 PolarHBondContact O-N 3.47Å; L1532-E1535 PolarHBondContact O-N 3.12Å; L1532-E1535 VanDerWaalsContact O-N 3.13Å; E1535-S1537 VanDerWaalsContact C-N 3.32Å; E1535-S1537 PolarHBondContact O-N 3.16Å; E1535-L1538 PolarHBondContact O-N 3.08Å; E1535-S1539 PolarHBondContact O-N 2.98Å |
| 1536 | I | 63.9 | Low | 68.3 | Low | 23 Ų | 23 | 89.9 Ų | 89.9 | 12% | 0.118 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173.4 | -51.2 | 156.9 | 0 | 0 | 0 | 111.1 | F1480 P1490 L1493 L1532 L1538 S1539 | F1480-I1536 HydrophobicContact CD1-CD1 3.67Å; F1480-I1536 HydrophobicContact CD1-CG1 3.78Å; F1480-I1536 HydrophobicContact CE1-CD1 3.55Å; F1480-I1536 HydrophobicContact CE1-CG1 4.08Å; F1480-I1536 HydrophobicContact CG-CG1 4.38Å; F1480-I1536 HydrophobicContact CZ-CD1 4.46Å; P1490-I1536 HydrophobicContact CG-CD1 4.48Å; P1490-I1536 HydrophobicContact CG-CG2 4.08Å; L1493-I1536 HydrophobicContact CD1-CD1 4.1Å; L1532-I1536 WeakPolarHBondContact O-CG1 3.11Å; L1532-I1536 PolarHBondContact O-N 3.1Å; I1536-L1538 PolarHBondContact O-N 2.58Å; I1536-S1539 WeakPolarHBondContact CA-OG 3.25Å; I1536-S1539 PolarHBondContact O-N 3.23Å; I1536-S1539 VanDerWaalsContact O-N 3.15Å; I1536-S1539 PolarHBondContact O-OG 3.05Å |
| 1537 | S | 57.2 | Low | 66.9 | Low | 62 Ų | 62 | 95.1 Ų | 95.1 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -0.6 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | F1533 K1534 E1535 | F1533-S1537 WeakPolarHBondContact O-CB 3.23Å; F1533-S1537 PolarHBondContact O-N 2.84Å; F1533-S1537 VanDerWaalsContact O-N 3.11Å; F1533-S1537 PolarHBondContact O-OG 3.03Å; K1534-S1537 PolarHBondContact O-N 3.23Å; E1535-S1537 VanDerWaalsContact C-N 3.32Å; E1535-S1537 PolarHBondContact O-N 3.16Å |
| 1538 | L | 53.4 | Low | 65.5 | Low | 104 Ų | 104 | 89.7 Ų | 89.7 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -4.7 | 176.6 | -74 | 167 | 0 | 0 | 0 | 112.8 | K1534 E1535 I1536 | K1534-L1538 HydrophobicContact CG-CD1 4.35Å; K1534-L1538 WeakPolarHBondContact O-CD1 3.49Å; K1534-L1538 WeakPolarHBondContact O-CG 3.44Å; K1534-L1538 PolarHBondContact O-N 3.43Å; E1535-L1538 PolarHBondContact O-N 3.08Å; I1536-L1538 PolarHBondContact O-N 2.58Å |
| 1539 | S | 51 | Low | 63.8 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 46% | 0.462 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -26.5 | 173 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | E1535 I1536 D1541 K1542 | E1535-S1539 PolarHBondContact O-N 2.98Å; I1536-S1539 WeakPolarHBondContact CA-OG 3.25Å; I1536-S1539 PolarHBondContact O-N 3.23Å; I1536-S1539 VanDerWaalsContact O-N 3.15Å; I1536-S1539 PolarHBondContact O-OG 3.05Å; S1539-D1541 PolarHBondContact O-N 2.76Å; S1539-K1542 PolarHBondContact O-N 3.36Å |
| 1540 | D | 44.3 | Very low | 61.8 | Low | 141 Ų | 141 | 99.8 Ų | 99.8 | 75% | 0.754 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.1 | 176.2 | -69.1 | -15 | 0 | 0 | 0 | 113.7 | ||
| 1541 | D | 38.8 | Very low | 59.9 | Low | 143 Ų | 143 | 101.3 Ų | 101.3 | 77% | 0.765 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 21.9 | 177.2 | -100.3 | -17.3 | 0 | 0 | 0 | 112.2 | S1539 | S1539-D1541 PolarHBondContact O-N 2.76Š|
| 1542 | K | 30.3 | Very low | 57.7 | Low | 247 Ų | 247 | 103.5 Ų | 103.5 | 100% | 1.074 | 52% | 0.523 | S | S | * | . | trans | -134.1 | 0 | -177.5 | -86.1 | -172.2 | 174.4 | 180 | 0 | 114.2 | S1539 | S1539-K1542 PolarHBondContact O-N 3.36Š|
Retrieved 1,542 of 1,542 residues in 1781.9 ms
(Link to these results)