| 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 | 31.1 | Very low | 32.8 | Very low | 253 Ų | 253 | 112.3 Ų | 112.3 | 100% | 1.246 | 63% | 0.625 | S | S | * | * | 0 | 99.4 | 0 | -76.7 | 172.5 | 171.8 | 0 | 0 | 106.3 | |||||
| 2 | G | 29.5 | Very low | 33.8 | Very low | 69 Ų | 69 | 112.1 Ų | 112.1 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -100.4 | 133.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V4 | G2-V4 PolarHBondContact O-N 2.85Å; G2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | D | 27.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 104 Ų | 104 | 86% | 0.861 | 58% | 0.577 | S | S | * | * | trans | -57.5 | 112.5 | 177.4 | -70 | -39.6 | 0 | 0 | 0 | 109.8 | V5 | D3-V5 PolarHBondContact O-N 3.26Å; D3-V5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | V | 27 | Very low | 35.3 | Very low | 102 Ų | 102 | 100 Ų | 100 | 62% | 0.618 | 56% | 0.556 | S | S | * | * | trans | -70.7 | 105.2 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | G2 M6 | G2-V4 PolarHBondContact O-N 2.85Å; G2-V4 VanDerWaalsContact O-N 3.1Å; V4-M6 VanDerWaalsContact C-N 3.35Å; V4-M6 PolarHBondContact O-N 3.12Å | ||
| 5 | V | 26.7 | Very low | 36 | Very low | 119 Ų | 119 | 101.3 Ų | 101.3 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | trans | -73.1 | 93.4 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | D3 I7 | D3-V5 PolarHBondContact O-N 3.26Å; D3-V5 VanDerWaalsContact O-N 3.13Å; V5-I7 HydrophobicContact CG1-CG1 4.46Å; V5-I7 PolarHBondContact O-N 3.09Å | ||
| 6 | M | 29 | Very low | 36.7 | Very low | 153 Ų | 153 | 96.9 Ų | 96.9 | 75% | 0.754 | 53% | 0.533 | S | S | * | . | trans | -62.9 | 106.8 | 166.7 | -84 | -152.8 | -63.7 | 0 | 0 | 108.8 | V4 V8 | V4-M6 VanDerWaalsContact C-N 3.35Å; V4-M6 PolarHBondContact O-N 3.12Å; M6-V8 VanDerWaalsContact C-N 3.29Å; M6-V8 HydrophobicContact CB-CG2 4.1Å; M6-V8 HydrophobicContact CE-CG2 4.48Å; M6-V8 PolarHBondContact O-N 2.92Å; M6-V8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | I | 32.1 | Very low | 37.4 | Very low | 52 Ų | 52 | 91.6 Ų | 91.6 | 27% | 0.267 | 50% | 0.504 | S | S | . | . | trans | -78.3 | 87.4 | 165.4 | -57.2 | 176.8 | 0 | 0 | 0 | 105.8 | V5 Q44 V102 A105 | V5-I7 HydrophobicContact CG1-CG1 4.46Å; V5-I7 PolarHBondContact O-N 3.09Å; I7-Q44 PolarHBondContact O-NE2 2.91Å; I7-V102 HydrophobicContact CD1-CG2 4.17Å; I7-A105 HydrophobicContact CD1-CB 4.14Å | ||
| 8 | V | 35.8 | Very low | 38.1 | Very low | 99 Ų | 99 | 91.1 Ų | 91.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 125.3 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | M6 S10 | M6-V8 VanDerWaalsContact C-N 3.29Å; M6-V8 HydrophobicContact CB-CG2 4.1Å; M6-V8 HydrophobicContact CE-CG2 4.48Å; M6-V8 PolarHBondContact O-N 2.92Å; M6-V8 VanDerWaalsContact O-N 3.07Å; V8-S10 PolarHBondContact O-N 3.25Å |
| 9 | P | 39.2 | Very low | 38.7 | Very low | 21 Ų | 21 | 91 Ų | 91 | 14% | 0.136 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.1 | 173.6 | -5.2 | 16.3 | 0 | 0 | 0 | 107.8 | Y11 F13 V14 Q44 | P9-Y11 PolarHBondContact O-N 2.7Å; P9-F13 HydrophobicContact CB-CD1 3.63Å; P9-F13 HydrophobicContact CB-CE1 4.26Å; P9-F13 HydrophobicContact CB-CG 4.46Å; P9-V14 HydrophobicContact CB-CG2 4.24Å; P9-Q44 VanDerWaalsContact CD-NE2 3.3Å |
| 10 | S | 43.4 | Very low | 39.2 | Very low | 50 Ų | 50 | 86.7 Ų | 86.7 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 143.8 | -176.5 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | V8 N12 F13 V14 | V8-S10 PolarHBondContact O-N 3.25Å; S10-N12 PolarHBondContact O-N 2.95Å; S10-F13 WeakPolarHBondContact O-CA 3.31Å; S10-F13 WeakPolarHBondContact O-CB 3.44Å; S10-F13 PolarHBondContact O-N 3.22Å; S10-F13 WeakPolarHBondContact OG-CB 3.34Å; S10-F13 PolarHBondContact OG-N 3.47Å; S10-V14 PolarHBondContact O-N 3.22Å |
| 11 | Y | 39.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 85 Ų | 85 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -49.8 | -34.7 | 174.7 | 171.1 | -98.1 | 0 | 0 | 0 | 112.3 | P9 F13 K15 | P9-Y11 PolarHBondContact O-N 2.7Å; Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.49Å; Y11-K15 HydrophobicContact CE1-CD 3.86Å; Y11-K15 VanDerWaalsContact O-CB 3.26Å; Y11-K15 WeakPolarHBondContact O-CB 3.08Å; Y11-K15 PolarHBondContact O-N 3.05Å |
| 12 | N | 44.5 | Very low | 40.4 | Very low | 110 Ų | 110 | 77.1 Ų | 77.1 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.2 | -31.4 | 175.3 | -69.5 | -36.6 | 0 | 0 | 0 | 113.5 | S10 S16 | S10-N12 PolarHBondContact O-N 2.95Å; N12-S16 WeakPolarHBondContact O-CB 3.27Å; N12-S16 PolarHBondContact O-N 3.13Å; N12-S16 VanDerWaalsContact O-N 3.09Å; N12-S16 PolarHBondContact O-OG 3.36Å |
| 13 | F | 45 | Very low | 41.2 | Very low | 7 Ų | 7 | 79.2 Ų | 79.2 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.3 | -53.8 | 175 | -178.7 | -106.7 | 0 | 0 | 0 | 111.1 | P9 S10 Y11 K15 S16 I17 L37 L40 I95 E98 | P9-F13 HydrophobicContact CB-CD1 3.63Å; P9-F13 HydrophobicContact CB-CE1 4.26Å; P9-F13 HydrophobicContact CB-CG 4.46Å; S10-F13 WeakPolarHBondContact O-CA 3.31Å; S10-F13 WeakPolarHBondContact O-CB 3.44Å; S10-F13 PolarHBondContact O-N 3.22Å; S10-F13 WeakPolarHBondContact OG-CB 3.34Å; S10-F13 PolarHBondContact OG-N 3.47Å; Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.49Å; F13-K15 PolarHBondContact O-N 3Å; F13-S16 WeakPolarHBondContact O-CB 3.29Å; F13-S16 PolarHBondContact O-N 3.49Å; F13-S16 VanDerWaalsContact O-N 3.15Å; F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CD2-CD1 4.13Å; F13-I17 HydrophobicContact CE1-CD1 3.26Å; F13-I17 HydrophobicContact CE2-CD1 3.73Å; F13-I17 HydrophobicContact CG-CD1 4.09Å; F13-I17 HydrophobicContact CZ-CD1 3.29Å; F13-I17 PolarHBondContact O-N 2.99Å; F13-L37 HydrophobicContact CE1-CD2 4.3Å; F13-L40 HydrophobicContact CE1-CD1 3.81Å; F13-L40 HydrophobicContact CZ-CD1 3.45Å; F13-L40 VanDerWaalsContact CZ-CD1 3.45Å; F13-I95 HydrophobicContact CD2-CG1 4.46Å; F13-I95 HydrophobicContact CE2-CB 4.08Å; F13-I95 HydrophobicContact CE2-CG1 3.42Å; F13-I95 VanDerWaalsContact CE2-CG1 3.42Å; F13-I95 HydrophobicContact CZ-CG1 3.92Å; F13-E98 HydrophobicContact CD2-CG 4.16Å; F13-E98 HydrophobicContact CE2-CG 4.28Å |
| 14 | V | 43.8 | Very low | 42.3 | Very low | 48 Ų | 48 | 72.6 Ų | 72.6 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | -179.6 | -177 | 0 | 0 | 0 | 0 | 111 | P9 S10 S16 I17 H18 | P9-V14 HydrophobicContact CB-CG2 4.24Å; S10-V14 PolarHBondContact O-N 3.22Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 3.1Å; V14-I17 PolarHBondContact O-N 2.93Å; V14-H18 PolarHBondContact O-N 2.89Å |
| 15 | K | 46.8 | Very low | 43.1 | Very low | 119 Ų | 119 | 76 Ų | 76 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 176.8 | -173.6 | 172.1 | -172 | 162.9 | 0 | 113.1 | Y11 F13 K19 | Y11-K15 HydrophobicContact CE1-CD 3.86Å; Y11-K15 VanDerWaalsContact O-CB 3.26Å; Y11-K15 WeakPolarHBondContact O-CB 3.08Å; Y11-K15 PolarHBondContact O-N 3.05Å; F13-K15 PolarHBondContact O-N 3Å; K15-K19 WeakPolarHBondContact O-CB 3.23Å; K15-K19 PolarHBondContact O-N 3.31Å |
| 16 | S | 47.1 | Very low | 44 | Very low | 31 Ų | 31 | 73.7 Ų | 73.7 | 22% | 0.217 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 178.2 | -69.7 | 0 | 0 | 0 | 0 | 112 | N12 F13 V14 L20 | N12-S16 WeakPolarHBondContact O-CB 3.27Å; N12-S16 PolarHBondContact O-N 3.13Å; N12-S16 VanDerWaalsContact O-N 3.09Å; N12-S16 PolarHBondContact O-OG 3.36Å; F13-S16 WeakPolarHBondContact O-CB 3.29Å; F13-S16 PolarHBondContact O-N 3.49Å; F13-S16 VanDerWaalsContact O-N 3.15Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 3.1Å; S16-L20 WeakPolarHBondContact O-CB 3.46Å; S16-L20 PolarHBondContact O-N 3.49Å; S16-L20 VanDerWaalsContact O-N 3.1Å |
| 17 | I | 48.3 | Very low | 44.6 | Very low | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.8 | -46 | 177.1 | -73.3 | 159.3 | 0 | 0 | 0 | 111.1 | F13 V14 K19 L20 L21 L33 L37 I95 | F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CD2-CD1 4.13Å; F13-I17 HydrophobicContact CE1-CD1 3.26Å; F13-I17 HydrophobicContact CE2-CD1 3.73Å; F13-I17 HydrophobicContact CG-CD1 4.09Å; F13-I17 HydrophobicContact CZ-CD1 3.29Å; F13-I17 PolarHBondContact O-N 2.99Å; V14-I17 PolarHBondContact O-N 2.93Å; I17-K19 VanDerWaalsContact C-N 3.28Å; I17-K19 PolarHBondContact O-N 2.66Å; I17-L20 WeakPolarHBondContact O-CA 3.48Å; I17-L20 WeakPolarHBondContact O-CB 3.21Å; I17-L20 PolarHBondContact O-N 3.48Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.26Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.44Å; I17-L33 HydrophobicContact CG1-CD2 4.11Å; I17-L33 HydrophobicContact CG2-CD2 4.17Å; I17-L37 HydrophobicContact CD1-CD2 3.81Å; I17-L37 HydrophobicContact CG2-CD1 4.08Å; I17-I95 HydrophobicContact CG1-CD1 4.48Å |
| 18 | H | 49 | Very low | 45.1 | Very low | 81 Ų | 81 | 74.7 Ų | 74.7 | 38% | 0.375 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 177 | -176.2 | -104.3 | 0 | 0 | 0 | 112.1 | V14 L20 L21 S22 F285 | V14-H18 PolarHBondContact O-N 2.89Å; H18-L20 VanDerWaalsContact C-N 3.29Å; H18-L20 PolarHBondContact O-N 3.24Å; H18-L21 PolarHBondContact O-N 3.33Å; H18-S22 PolarHBondContact O-N 3.23Å; H18-S22 PolarHBondContact O-OG 3.46Å; H18-F285 AromaticContact CD2-CE1 3.6Å; H18-F285 AromaticContact CD2-CZ 3.65Å; H18-F285 AromaticContact NE2-CE1 3.25Å; H18-F285 VanDerWaalsContact NE2-CE1 3.25Å; H18-F285 WeakPolarHBondContact NE2-CE1 3.37Å; H18-F285 AromaticContact NE2-CZ 3.78Å |
| 19 | K | 50.8 | Low | 45.7 | Very low | 90 Ų | 90 | 71.2 Ų | 71.2 | 39% | 0.391 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.2 | -30.1 | 174.9 | -172.8 | 170.1 | -178.8 | 168.4 | 0 | 113.3 | K15 I17 S22 E23 | K15-K19 WeakPolarHBondContact O-CB 3.23Å; K15-K19 PolarHBondContact O-N 3.31Å; I17-K19 VanDerWaalsContact C-N 3.28Å; I17-K19 PolarHBondContact O-N 2.66Å; K19-S22 PolarHBondContact O-OG 2.76Å; K19-E23 WeakPolarHBondContact CE-OE1 3.29Å; K19-E23 WeakPolarHBondContact CG-OE1 3.48Å; K19-E23 WeakPolarHBondContact O-CB 3.11Å; K19-E23 VanDerWaalsContact O-CG 3.25Å; K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 3.3Å |
| 20 | L | 47.6 | Very low | 45.9 | Very low | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.2 | -43.1 | 177 | -137.4 | 68.9 | 0 | 0 | 0 | 112.4 | S16 I17 H18 S22 E23 T24 L33 M88 I91 | S16-L20 WeakPolarHBondContact O-CB 3.46Å; S16-L20 PolarHBondContact O-N 3.49Å; S16-L20 VanDerWaalsContact O-N 3.1Å; I17-L20 WeakPolarHBondContact O-CA 3.48Å; I17-L20 WeakPolarHBondContact O-CB 3.21Å; I17-L20 PolarHBondContact O-N 3.48Å; H18-L20 VanDerWaalsContact C-N 3.29Å; H18-L20 PolarHBondContact O-N 3.24Å; L20-S22 PolarHBondContact O-N 3.5Å; L20-E23 PolarHBondContact O-N 3.42Å; L20-T24 WeakPolarHBondContact O-CB 3.26Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.16Å; L20-T24 VanDerWaalsContact O-N 3.11Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-L33 HydrophobicContact CB-CD1 4.46Å; L20-L33 HydrophobicContact CD2-CD1 3.55Å; L20-L33 HydrophobicContact CD2-CD2 3.86Å; L20-L33 HydrophobicContact CD2-CG 4.27Å; L20-L33 HydrophobicContact CG-CD1 4.3Å; L20-M88 HydrophobicContact CD1-CG 4.21Å; L20-M88 HydrophobicContact CD1-SD 3.06Å; L20-M88 WeakPolarHBondContact CD1-SD 3.12Å; L20-M88 HydrophobicContact CD2-CE 4.31Å; L20-M88 HydrophobicContact CD2-SD 3.71Å; L20-M88 HydrophobicContact CG-CE 4.41Å; L20-M88 HydrophobicContact CG-SD 3.42Å; L20-M88 WeakPolarHBondContact CG-SD 3.12Å; L20-I91 HydrophobicContact CD1-CB 4.46Å; L20-I91 HydrophobicContact CD1-CD1 3.42Å; L20-I91 VanDerWaalsContact CD1-CD1 3.42Å; L20-I91 HydrophobicContact CD1-CG2 4.38Å; L20-I91 HydrophobicContact CD2-CG2 3.94Å |
| 21 | L | 46.9 | Very low | 46.2 | Very low | 53 Ų | 53 | 75.2 Ų | 75.2 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 178.7 | -66.4 | 167.9 | 0 | 0 | 0 | 110.8 | I17 H18 L30 L33 | I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.26Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.44Å; H18-L21 PolarHBondContact O-N 3.33Å; L21-L30 HydrophobicContact CB-CD2 4.45Å; L21-L30 HydrophobicContact CD2-CD2 3.39Å; L21-L30 HydrophobicContact CD2-CG 4.04Å; L21-L33 HydrophobicContact CD2-CB 4.29Å |
| 22 | S | 48.3 | Very low | 46.6 | Very low | 86 Ų | 86 | 69.2 Ų | 69.2 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -81.5 | -24 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | H18 K19 L20 | H18-S22 PolarHBondContact O-N 3.23Å; H18-S22 PolarHBondContact O-OG 3.46Å; K19-S22 PolarHBondContact O-OG 2.76Å; L20-S22 PolarHBondContact O-N 3.5Å |
| 23 | E | 48.3 | Very low | 46.8 | Very low | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -93.1 | -13 | -178.4 | -72.8 | 176.5 | -175.8 | 0 | 0 | 113.4 | K19 L20 | K19-E23 WeakPolarHBondContact CE-OE1 3.29Å; K19-E23 WeakPolarHBondContact CG-OE1 3.48Å; K19-E23 WeakPolarHBondContact O-CB 3.11Å; K19-E23 VanDerWaalsContact O-CG 3.25Å; K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 3.3Å; L20-E23 PolarHBondContact O-N 3.42Å |
| 24 | T | 48.3 | Very low | 47 | Very low | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.135 | 35% | 0.353 | C | S | . | . | trans | -111.6 | 106.9 | -173.5 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | L20 N26 L30 M88 | L20-T24 WeakPolarHBondContact O-CB 3.26Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.16Å; L20-T24 VanDerWaalsContact O-N 3.11Å; L20-T24 PolarHBondContact O-OG1 2.97Å; T24-N26 PolarHBondContact O-N 3.13Å; T24-N26 VanDerWaalsContact O-N 3.16Å; T24-L30 VanDerWaalsContact O-CD1 3.3Å; T24-L30 WeakPolarHBondContact O-CD1 3.25Å; T24-M88 HydrophobicContact CG2-CE 4.2Å; T24-M88 HydrophobicContact CG2-SD 4.33Å | ||
| 25 | N | 45 | Very low | 47.3 | Very low | 172 Ų | 172 | 67.3 Ų | 67.3 | 92% | 0.92 | 35% | 0.354 | S | S | * | . | trans | -75.7 | 10.9 | 169.2 | -82.7 | -7.4 | 0 | 0 | 0 | 113.7 | ||||
| 26 | N | 45.4 | Very low | 47.2 | Very low | 72 Ų | 72 | 61.7 Ų | 61.7 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -101.1 | 100.5 | -174.7 | -174.1 | -19.3 | 0 | 0 | 0 | 109.5 | T24 S28 Y29 L30 | T24-N26 PolarHBondContact O-N 3.13Å; T24-N26 VanDerWaalsContact O-N 3.16Å; N26-S28 PolarHBondContact O-N 3.49Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 3.49Å; N26-S28 VanDerWaalsContact OD1-N 3.12Å; N26-S28 PolarHBondContact OD1-OG 3.4Å; N26-Y29 HydrophobicContact CB-CD2 3.75Å; N26-Y29 VanDerWaalsContact CG-CD2 3.49Å; N26-Y29 WeakPolarHBondContact ND2-CD2 3.48Å; N26-Y29 WeakPolarHBondContact ND2-CE2 3.32Å; N26-Y29 WeakPolarHBondContact O-CB 3.48Å; N26-Y29 PolarHBondContact O-N 2.94Å; N26-L30 PolarHBondContact O-N 3.15Å | ||
| 27 | I | 40.6 | Very low | 47.3 | Very low | 140 Ų | 140 | 61.9 Ų | 61.9 | 72% | 0.718 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -49.6 | -31 | -179.9 | -63.7 | 170.6 | 0 | 0 | 0 | 112.2 | K31 | I27-K31 WeakPolarHBondContact O-CB 3.31Å; I27-K31 PolarHBondContact O-N 3.37Å |
| 28 | S | 44.6 | Very low | 47.4 | Very low | 86 Ų | 86 | 63.8 Ų | 63.8 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.1 | -35.7 | 178.3 | -45.3 | 0 | 0 | 0 | 0 | 112.4 | N26 L32 | N26-S28 PolarHBondContact O-N 3.49Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 3.49Å; N26-S28 VanDerWaalsContact OD1-N 3.12Å; N26-S28 PolarHBondContact OD1-OG 3.4Å; S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 3.34Å; S28-L32 VanDerWaalsContact O-N 3.13Å |
| 29 | Y | 46.9 | Very low | 47.3 | Very low | 26 Ų | 26 | 61.5 Ų | 61.5 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.2 | -44.4 | 175.4 | -81 | -70.9 | 0 | 0 | 0 | 111.8 | N26 K31 L32 L33 L75 V78 M88 | N26-Y29 HydrophobicContact CB-CD2 3.75Å; N26-Y29 VanDerWaalsContact CG-CD2 3.49Å; N26-Y29 WeakPolarHBondContact ND2-CD2 3.48Å; N26-Y29 WeakPolarHBondContact ND2-CE2 3.32Å; N26-Y29 WeakPolarHBondContact O-CB 3.48Å; N26-Y29 PolarHBondContact O-N 2.94Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.01Å; Y29-L32 PolarHBondContact O-N 2.9Å; Y29-L33 WeakPolarHBondContact O-CB 3.34Å; Y29-L33 WeakPolarHBondContact O-CD1 3.43Å; Y29-L33 PolarHBondContact O-N 2.73Å; Y29-L75 HydrophobicContact CD1-CD2 4.5Å; Y29-L75 HydrophobicContact CE1-CD2 3.68Å; Y29-V78 HydrophobicContact CE1-CG1 4.5Å; Y29-V78 HydrophobicContact CE2-CG1 4.09Å; Y29-V78 HydrophobicContact CE2-CG2 4.37Å; Y29-V78 WeakPolarHBondContact OH-CB 3.33Å; Y29-V78 VanDerWaalsContact OH-CG1 3.26Å; Y29-V78 WeakPolarHBondContact OH-CG1 2.88Å; Y29-V78 WeakPolarHBondContact OH-CG2 3.47Å; Y29-M88 HydrophobicContact CD1-CE 4.39Å |
| 30 | L | 42.9 | Very low | 47.2 | Very low | 57 Ų | 57 | 57.7 Ų | 57.7 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.6 | -50.6 | 173.6 | -92.4 | 138.9 | 0 | 0 | 0 | 110.9 | L21 T24 N26 L32 L33 T34 | L21-L30 HydrophobicContact CB-CD2 4.45Å; L21-L30 HydrophobicContact CD2-CD2 3.39Å; L21-L30 HydrophobicContact CD2-CG 4.04Å; T24-L30 VanDerWaalsContact O-CD1 3.3Å; T24-L30 WeakPolarHBondContact O-CD1 3.25Å; N26-L30 PolarHBondContact O-N 3.15Å; L30-L32 PolarHBondContact O-N 3.11Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-T34 PolarHBondContact O-N 3.06Å; L30-T34 PolarHBondContact O-OG1 3.29Å |
| 31 | K | 49.9 | Very low | 47.3 | Very low | 98 Ų | 98 | 58.8 Ų | 58.8 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 176.6 | -176.2 | 172.4 | 179.8 | 175.2 | 0 | 112.3 | I27 Y29 L33 T34 D35 | I27-K31 WeakPolarHBondContact O-CB 3.31Å; I27-K31 PolarHBondContact O-N 3.37Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.01Å; K31-L33 PolarHBondContact O-N 3.22Å; K31-T34 PolarHBondContact O-N 3.01Å; K31-D35 WeakPolarHBondContact O-CB 3.05Å; K31-D35 PolarHBondContact O-N 3.17Å |
| 32 | L | 48.9 | Very low | 47.3 | Very low | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 179.9 | -170.1 | 75.6 | 0 | 0 | 0 | 112.7 | S28 Y29 L30 S36 F71 S74 L75 | S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 3.34Å; S28-L32 VanDerWaalsContact O-N 3.13Å; Y29-L32 PolarHBondContact O-N 2.9Å; L30-L32 PolarHBondContact O-N 3.11Å; L32-S36 PolarHBondContact O-N 3.22Å; L32-S36 PolarHBondContact O-OG 3.03Å; L32-F71 HydrophobicContact CD1-CD2 3.9Å; L32-F71 HydrophobicContact CD2-CD2 3.38Å; L32-F71 HydrophobicContact CD2-CE2 3.51Å; L32-F71 HydrophobicContact CD2-CG 4.4Å; L32-F71 HydrophobicContact CG-CD2 3.45Å; L32-F71 VanDerWaalsContact CG-CD2 3.45Å; L32-F71 HydrophobicContact CG-CE2 3.71Å; L32-S74 WeakPolarHBondContact CD2-OG 3.4Å; L32-L75 HydrophobicContact CD2-CG 4.49Å |
| 33 | L | 48 | Very low | 47.3 | Very low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 174 | -89 | 143.3 | 0 | 0 | 0 | 111.7 | I17 L20 L21 Y29 L30 K31 D35 S36 L37 I95 | I17-L33 HydrophobicContact CG1-CD2 4.11Å; I17-L33 HydrophobicContact CG2-CD2 4.17Å; L20-L33 HydrophobicContact CB-CD1 4.46Å; L20-L33 HydrophobicContact CD2-CD1 3.55Å; L20-L33 HydrophobicContact CD2-CD2 3.86Å; L20-L33 HydrophobicContact CD2-CG 4.27Å; L20-L33 HydrophobicContact CG-CD1 4.3Å; L21-L33 HydrophobicContact CD2-CB 4.29Å; Y29-L33 WeakPolarHBondContact O-CB 3.34Å; Y29-L33 WeakPolarHBondContact O-CD1 3.43Å; Y29-L33 PolarHBondContact O-N 2.73Å; L30-L33 PolarHBondContact O-N 2.93Å; K31-L33 PolarHBondContact O-N 3.22Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-S36 VanDerWaalsContact O-CB 3.31Å; L33-S36 WeakPolarHBondContact O-CB 3.07Å; L33-S36 PolarHBondContact O-N 3.15Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 2.77Å; L33-I95 HydrophobicContact CD2-CD1 3.87Å |
| 34 | T | 49.3 | Very low | 47.2 | Very low | 61 Ų | 61 | 52.7 Ų | 52.7 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 172 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | L30 K31 S36 L37 L38 | L30-T34 PolarHBondContact O-N 3.06Å; L30-T34 PolarHBondContact O-OG1 3.29Å; K31-T34 PolarHBondContact O-N 3.01Å; T34-S36 VanDerWaalsContact C-N 3.26Å; T34-S36 PolarHBondContact O-N 3.46Å; T34-L37 WeakPolarHBondContact O-CB 3.4Å; T34-L37 PolarHBondContact O-N 3.01Å; T34-L37 VanDerWaalsContact O-N 3.09Å; T34-L38 HydrophobicContact CG2-CG 4.44Å; T34-L38 VanDerWaalsContact O-CG 3.27Å; T34-L38 WeakPolarHBondContact O-CG 3.29Å; T34-L38 PolarHBondContact O-N 3.12Å |
| 35 | D | 49.7 | Very low | 47.1 | Very low | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -34.5 | 176.9 | -64.4 | -17 | 0 | 0 | 0 | 112.4 | K31 L33 V39 | K31-D35 WeakPolarHBondContact O-CB 3.05Å; K31-D35 PolarHBondContact O-N 3.17Å; L33-D35 VanDerWaalsContact C-N 3.34Å; D35-V39 WeakPolarHBondContact O-CB 3.46Å; D35-V39 WeakPolarHBondContact O-CG2 3.47Å; D35-V39 PolarHBondContact O-N 2.8Å |
| 36 | S | 46.5 | Very low | 47 | Very low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 174.4 | -45.4 | 0 | 0 | 0 | 0 | 112.3 | L32 L33 T34 V39 L40 W67 | L32-S36 PolarHBondContact O-N 3.22Å; L32-S36 PolarHBondContact O-OG 3.03Å; L33-S36 VanDerWaalsContact O-CB 3.31Å; L33-S36 WeakPolarHBondContact O-CB 3.07Å; L33-S36 PolarHBondContact O-N 3.15Å; T34-S36 VanDerWaalsContact C-N 3.26Å; T34-S36 PolarHBondContact O-N 3.46Å; S36-V39 PolarHBondContact O-N 3.3Å; S36-L40 WeakPolarHBondContact O-CG 3.25Å; S36-L40 PolarHBondContact O-N 3.31Å; S36-L40 VanDerWaalsContact O-N 3.12Å; S36-W67 WeakPolarHBondContact OG-CH2 3.22Å; S36-W67 WeakPolarHBondContact OG-CZ2 3.45Å |
| 37 | L | 47.4 | Very low | 46.9 | Very low | 34 Ų | 34 | 53.3 Ų | 53.3 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 179.2 | -72.3 | 172.5 | 0 | 0 | 0 | 110.7 | F13 I17 L33 T34 V39 L40 D41 | F13-L37 HydrophobicContact CE1-CD2 4.3Å; I17-L37 HydrophobicContact CD1-CD2 3.81Å; I17-L37 HydrophobicContact CG2-CD1 4.08Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 2.77Å; T34-L37 WeakPolarHBondContact O-CB 3.4Å; T34-L37 PolarHBondContact O-N 3.01Å; T34-L37 VanDerWaalsContact O-N 3.09Å; L37-V39 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-L40 VanDerWaalsContact O-N 3.14Å; L37-D41 WeakPolarHBondContact O-CB 3.32Å; L37-D41 PolarHBondContact O-N 3.15Å |
| 38 | L | 50.7 | Low | 46.9 | Very low | 49 Ų | 49 | 48.1 Ų | 48.1 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.1 | -46.1 | 174.5 | -67.4 | 176.8 | 0 | 0 | 0 | 110.9 | T34 V42 I277 | T34-L38 HydrophobicContact CG2-CG 4.44Å; T34-L38 VanDerWaalsContact O-CG 3.27Å; T34-L38 WeakPolarHBondContact O-CG 3.29Å; T34-L38 PolarHBondContact O-N 3.12Å; L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.39Å; L38-V42 WeakPolarHBondContact O-CG2 3.36Å; L38-V42 PolarHBondContact O-N 3.41Å; L38-I277 HydrophobicContact CB-CD1 4.37Å; L38-I277 HydrophobicContact CD2-CB 3.84Å; L38-I277 HydrophobicContact CD2-CD1 3.22Å; L38-I277 HydrophobicContact CD2-CG1 3.54Å; L38-I277 HydrophobicContact CD2-CG2 3.79Å; L38-I277 HydrophobicContact CG-CD1 4.35Å |
| 39 | V | 48.4 | Very low | 46.6 | Very low | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | -178.6 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | D35 S36 L37 A43 F64 W67 | D35-V39 WeakPolarHBondContact O-CB 3.46Å; D35-V39 WeakPolarHBondContact O-CG2 3.47Å; D35-V39 PolarHBondContact O-N 2.8Å; S36-V39 PolarHBondContact O-N 3.3Å; L37-V39 PolarHBondContact O-N 2.9Å; V39-A43 WeakPolarHBondContact O-CB 3.3Å; V39-A43 PolarHBondContact O-N 3.19Å; V39-F64 HydrophobicContact CB-CE1 4.36Å; V39-F64 HydrophobicContact CG1-CD1 3.21Å; V39-F64 HydrophobicContact CG1-CE1 3.16Å; V39-F64 HydrophobicContact CG1-CG 4.5Å; V39-F64 HydrophobicContact CG1-CZ 4.39Å; V39-F64 WeakPolarHBondContact O-CE1 3.46Å; V39-W67 HydrophobicContact CG1-CD2 4.42Å; V39-W67 HydrophobicContact CG2-CG 4.25Å |
| 40 | L | 47.9 | Very low | 46.3 | Very low | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 177.9 | -72.1 | 170.6 | 0 | 0 | 0 | 113.2 | F13 S36 L37 A43 Q44 V102 | F13-L40 HydrophobicContact CE1-CD1 3.81Å; F13-L40 HydrophobicContact CZ-CD1 3.45Å; F13-L40 VanDerWaalsContact CZ-CD1 3.45Å; S36-L40 WeakPolarHBondContact O-CG 3.25Å; S36-L40 PolarHBondContact O-N 3.31Å; S36-L40 VanDerWaalsContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-L40 VanDerWaalsContact O-N 3.14Å; L40-A43 WeakPolarHBondContact O-CB 3.35Å; L40-A43 PolarHBondContact O-N 3.33Å; L40-Q44 PolarHBondContact O-N 2.88Å; L40-Q44 VanDerWaalsContact O-N 3.09Å; L40-V102 HydrophobicContact CD2-CG2 4.14Å |
| 41 | D | 49.8 | Very low | 46.1 | Very low | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | -180 | -69.1 | -22.1 | 0 | 0 | 0 | 111.1 | L37 A43 Q44 E45 I277 | L37-D41 WeakPolarHBondContact O-CB 3.32Å; L37-D41 PolarHBondContact O-N 3.15Å; D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.17Å; D41-Q44 PolarHBondContact O-N 3.23Å; D41-E45 PolarHBondContact O-N 2.9Å; D41-E45 VanDerWaalsContact O-N 3.16Å; D41-I277 HydrophobicContact CB-CD1 4.42Å; D41-I277 HydrophobicContact CB-CG1 4.19Å |
| 42 | V | 47.3 | Very low | 46.1 | Very low | 38 Ų | 38 | 60.7 Ų | 60.7 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 171.5 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L38 Q44 F46 F60 | L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.39Å; L38-V42 WeakPolarHBondContact O-CG2 3.36Å; L38-V42 PolarHBondContact O-N 3.41Å; V42-Q44 VanDerWaalsContact C-N 3.35Å; V42-Q44 PolarHBondContact O-N 3.49Å; V42-F46 HydrophobicContact CG1-CD2 3.68Å; V42-F46 HydrophobicContact CG1-CE2 3.77Å; V42-F46 WeakPolarHBondContact O-CD2 3.32Å; V42-F46 PolarHBondContact O-N 3.4Å; V42-F60 HydrophobicContact CG1-CE1 4.4Å |
| 43 | A | 47 | Very low | 46.6 | Very low | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -32.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V39 L40 D41 F64 V102 | V39-A43 WeakPolarHBondContact O-CB 3.3Å; V39-A43 PolarHBondContact O-N 3.19Å; L40-A43 WeakPolarHBondContact O-CB 3.35Å; L40-A43 PolarHBondContact O-N 3.33Å; D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.17Å; A43-F64 HydrophobicContact CB-CE1 3.95Å; A43-F64 HydrophobicContact CB-CZ 3.54Å; A43-V102 HydrophobicContact CB-CG1 3.61Å |
| 44 | Q | 47.4 | Very low | 47.2 | Very low | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76 | -38.3 | -179.4 | -81.5 | 176 | 11.5 | 0 | 0 | 112.9 | I7 P9 L40 D41 V42 | I7-Q44 PolarHBondContact O-NE2 2.91Å; P9-Q44 VanDerWaalsContact CD-NE2 3.3Å; L40-Q44 PolarHBondContact O-N 2.88Å; L40-Q44 VanDerWaalsContact O-N 3.09Å; D41-Q44 PolarHBondContact O-N 3.23Å; V42-Q44 VanDerWaalsContact C-N 3.35Å; V42-Q44 PolarHBondContact O-N 3.49Å |
| 45 | E | 44.8 | Very low | 47.6 | Very low | 135 Ų | 135 | 62.4 Ų | 62.4 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -76.4 | -25.8 | 179.3 | -71.2 | -146.3 | 153.7 | 0 | 0 | 112.9 | D41 S47 | D41-E45 PolarHBondContact O-N 2.9Å; D41-E45 VanDerWaalsContact O-N 3.16Å; E45-S47 PolarHBondContact O-N 3.35Å |
| 46 | F | 44.4 | Very low | 47.8 | Very low | 80 Ų | 80 | 63.2 Ų | 63.2 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | trans | -82.2 | 64.8 | 176.1 | -78.3 | -56.8 | 0 | 0 | 0 | 112.7 | V42 L48 F60 L269 | V42-F46 HydrophobicContact CG1-CD2 3.68Å; V42-F46 HydrophobicContact CG1-CE2 3.77Å; V42-F46 WeakPolarHBondContact O-CD2 3.32Å; V42-F46 PolarHBondContact O-N 3.4Å; F46-L48 HydrophobicContact CB-CD1 3.82Å; F46-L48 HydrophobicContact CB-CG 3.79Å; F46-L48 HydrophobicContact CD1-CD1 3.57Å; F46-L48 HydrophobicContact CD1-CD2 3.41Å; F46-L48 VanDerWaalsContact CD1-CD2 3.41Å; F46-L48 HydrophobicContact CD1-CG 3.34Å; F46-L48 HydrophobicContact CE1-CD1 4.26Å; F46-L48 HydrophobicContact CE1-CD2 3.82Å; F46-L48 HydrophobicContact CE1-CG 4.2Å; F46-L48 HydrophobicContact CG-CD1 3.81Å; F46-L48 HydrophobicContact CG-CD2 4.42Å; F46-L48 HydrophobicContact CG-CG 3.9Å; F46-L48 PolarHBondContact O-N 3.49Å; F46-F60 HydrophobicContact CD2-CZ 4.14Å; F46-F60 HydrophobicContact CE2-CZ 4.2Å; F46-L269 HydrophobicContact CZ-CD2 4.31Å | ||
| 47 | S | 42.1 | Very low | 48.5 | Very low | 64 Ų | 64 | 64.6 Ų | 64.6 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | trans | -70.6 | 63.8 | 149.1 | -67.8 | 0 | 0 | 0 | 0 | 108.9 | E45 T49 | E45-S47 PolarHBondContact O-N 3.35Å; S47-T49 PolarHBondContact O-N 3.4Å | ||
| 48 | L | 41.4 | Very low | 49.3 | Very low | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -66.4 | 109.3 | -177.9 | -74.3 | 163 | 0 | 0 | 0 | 107.8 | F46 F50 I53 L56 F60 | F46-L48 HydrophobicContact CB-CD1 3.82Å; F46-L48 HydrophobicContact CB-CG 3.79Å; F46-L48 HydrophobicContact CD1-CD1 3.57Å; F46-L48 HydrophobicContact CD1-CD2 3.41Å; F46-L48 VanDerWaalsContact CD1-CD2 3.41Å; F46-L48 HydrophobicContact CD1-CG 3.34Å; F46-L48 HydrophobicContact CE1-CD1 4.26Å; F46-L48 HydrophobicContact CE1-CD2 3.82Å; F46-L48 HydrophobicContact CE1-CG 4.2Å; F46-L48 HydrophobicContact CG-CD1 3.81Å; F46-L48 HydrophobicContact CG-CD2 4.42Å; F46-L48 HydrophobicContact CG-CG 3.9Å; F46-L48 PolarHBondContact O-N 3.49Å; L48-F50 HydrophobicContact CD2-CD2 4.24Å; L48-I53 HydrophobicContact CB-CD1 3.29Å; L48-I53 HydrophobicContact CB-CG1 4.12Å; L48-I53 HydrophobicContact CB-CG2 3.9Å; L48-I53 HydrophobicContact CD1-CG2 3.89Å; L48-I53 HydrophobicContact CG-CG2 4.48Å; L48-I53 WeakPolarHBondContact O-CD1 3.22Å; L48-L56 HydrophobicContact CD1-CD2 3.89Å; L48-F60 HydrophobicContact CD1-CE2 4Å | ||
| 49 | T | 38.5 | Very low | 49.7 | Very low | 129 Ų | 129 | 64.9 Ų | 64.9 | 79% | 0.791 | 36% | 0.356 | S | S | * | . | trans | -104.8 | 39.9 | -177.7 | 38.5 | 0 | 0 | 0 | 0 | 111.8 | S47 | S47-T49 PolarHBondContact O-N 3.4Š| ||
| 50 | F | 39.8 | Very low | 50.2 | Low | 145 Ų | 145 | 65.6 Ų | 65.6 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | trans | -110.3 | 146.8 | -179.4 | -66.3 | -82.6 | 0 | 0 | 0 | 111.1 | L48 D52 I53 | L48-F50 HydrophobicContact CD2-CD2 4.24Å; F50-D52 PolarHBondContact O-N 3Å; F50-I53 HydrophobicContact CB-CD1 3.72Å; F50-I53 HydrophobicContact CB-CG1 3.59Å; F50-I53 WeakPolarHBondContact O-CD1 3.21Å; F50-I53 WeakPolarHBondContact O-CG1 3.33Å | ||
| 51 | A | 39.7 | Very low | 51.2 | Low | 107 Ų | 107 | 65.1 Ų | 65.1 | 88% | 0.884 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 52 | D | 49 | Very low | 52.1 | Low | 150 Ų | 150 | 66 Ų | 66 | 80% | 0.802 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 22.8 | -175.4 | -64.6 | -43.7 | 0 | 0 | 0 | 114.3 | F50 | F50-D52 PolarHBondContact O-N 3Š|
| 53 | I | 59.3 | Low | 52.8 | Low | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | trans | -94.3 | 7.7 | -170.6 | -41.3 | 160.4 | 0 | 0 | 0 | 112.9 | L48 F50 D55 L56 K57 | L48-I53 HydrophobicContact CB-CD1 3.29Å; L48-I53 HydrophobicContact CB-CG1 4.12Å; L48-I53 HydrophobicContact CB-CG2 3.9Å; L48-I53 HydrophobicContact CD1-CG2 3.89Å; L48-I53 HydrophobicContact CG-CG2 4.48Å; L48-I53 WeakPolarHBondContact O-CD1 3.22Å; F50-I53 HydrophobicContact CB-CD1 3.72Å; F50-I53 HydrophobicContact CB-CG1 3.59Å; F50-I53 WeakPolarHBondContact O-CD1 3.21Å; F50-I53 WeakPolarHBondContact O-CG1 3.33Å; I53-D55 PolarHBondContact O-N 3.22Å; I53-L56 HydrophobicContact CG2-CB 4.05Å; I53-L56 HydrophobicContact CG2-CD2 4.23Å; I53-L56 HydrophobicContact CG2-CG 4.45Å; I53-K57 HydrophobicContact CB-CD 4.4Å; I53-K57 HydrophobicContact CB-CG 4.42Å; I53-K57 HydrophobicContact CG2-CD 4.09Å; I53-K57 HydrophobicContact CG2-CG 3.65Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 VanDerWaalsContact O-CG 3.28Å; I53-K57 WeakPolarHBondContact O-CG 3.45Å; I53-K57 PolarHBondContact O-N 3.37Å | ||
| 54 | H | 60.7 | Low | 53.7 | Low | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | -177.7 | -170.9 | -82.5 | 0 | 0 | 0 | 110.9 | K57 V58 L110 C114 T160 | H54-K57 PolarHBondContact O-N 2.89Å; H54-V58 WeakPolarHBondContact O-CG2 3.4Å; H54-V58 PolarHBondContact O-N 3.37Å; H54-L110 WeakPolarHBondContact CD2-CD2 3.24Å; H54-C114 PolarHBondContact CD2-SG 3.35Å; H54-C114 PolarHBondContact NE2-SG 3.43Å; H54-T160 VanDerWaalsContact CE1-CG2 3.43Å; H54-T160 WeakPolarHBondContact CE1-CG2 2.91Å; H54-T160 VanDerWaalsContact ND1-CG2 3.31Å; H54-T160 WeakPolarHBondContact ND1-CG2 3.36Å |
| 55 | D | 57.3 | Low | 54.9 | Low | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | -178 | -59.5 | -14.1 | 0 | 0 | 0 | 111.5 | I53 K57 V58 I59 T160 | I53-D55 PolarHBondContact O-N 3.22Å; D55-K57 PolarHBondContact O-N 2.91Å; D55-V58 PolarHBondContact O-N 3.47Å; D55-I59 VanDerWaalsContact O-CG1 3.29Å; D55-I59 WeakPolarHBondContact O-CG1 3.37Å; D55-I59 PolarHBondContact O-N 3.43Å; D55-T160 VanDerWaalsContact OD1-CB 3.25Å; D55-T160 WeakPolarHBondContact OD1-CB 3.45Å |
| 56 | L | 54.4 | Low | 56.1 | Low | 74 Ų | 74 | 58.2 Ų | 58.2 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.6 | -174.6 | 63.7 | 0 | 0 | 0 | 111.5 | L48 I53 I59 F60 | L48-L56 HydrophobicContact CD1-CD2 3.89Å; I53-L56 HydrophobicContact CG2-CB 4.05Å; I53-L56 HydrophobicContact CG2-CD2 4.23Å; I53-L56 HydrophobicContact CG2-CG 4.45Å; L56-I59 PolarHBondContact O-N 3.47Å; L56-F60 HydrophobicContact CD1-CD2 4.17Å; L56-F60 HydrophobicContact CD1-CE2 3.76Å; L56-F60 HydrophobicContact CD1-CZ 4.37Å; L56-F60 HydrophobicContact CD2-CE2 3.92Å; L56-F60 HydrophobicContact CG-CD2 3.81Å; L56-F60 HydrophobicContact CG-CE2 3.5Å; L56-F60 VanDerWaalsContact CG-CE2 3.5Å; L56-F60 WeakPolarHBondContact O-CB 3.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.04Å; L56-F60 PolarHBondContact O-N 2.78Å |
| 57 | K | 62.4 | Low | 57.2 | Low | 32 Ų | 32 | 56.1 Ų | 56.1 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 173.7 | -79.6 | 174.7 | -168.1 | -162.5 | 0 | 112.1 | I53 H54 D55 F60 L61 I106 E109 L110 | I53-K57 HydrophobicContact CB-CD 4.4Å; I53-K57 HydrophobicContact CB-CG 4.42Å; I53-K57 HydrophobicContact CG2-CD 4.09Å; I53-K57 HydrophobicContact CG2-CG 3.65Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 VanDerWaalsContact O-CG 3.28Å; I53-K57 WeakPolarHBondContact O-CG 3.45Å; I53-K57 PolarHBondContact O-N 3.37Å; H54-K57 PolarHBondContact O-N 2.89Å; D55-K57 PolarHBondContact O-N 2.91Å; K57-F60 PolarHBondContact O-N 2.86Å; K57-L61 WeakPolarHBondContact O-CG 3.32Å; K57-L61 PolarHBondContact O-N 3.14Å; K57-I106 HydrophobicContact CB-CG2 4.02Å; K57-I106 HydrophobicContact CG-CG2 4.14Å; K57-E109 IonicContact NZ-OE2 3.36Å; K57-E109 PolarHBondContact NZ-OE2 3.34Å; K57-L110 HydrophobicContact CB-CD1 4.02Å; K57-L110 HydrophobicContact CB-CD2 3.54Å; K57-L110 HydrophobicContact CB-CG 3.84Å; K57-L110 HydrophobicContact CD-CD2 3.96Å; K57-L110 HydrophobicContact CD-CG 4.12Å; K57-L110 HydrophobicContact CG-CD2 4.37Å |
| 58 | V | 62.8 | Low | 58.5 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | H54 D55 L61 D62 L110 M156 L157 T160 | H54-V58 WeakPolarHBondContact O-CG2 3.4Å; H54-V58 PolarHBondContact O-N 3.37Å; D55-V58 PolarHBondContact O-N 3.47Å; V58-L61 PolarHBondContact O-N 2.93Å; V58-D62 PolarHBondContact O-N 2.98Å; V58-L110 HydrophobicContact CG2-CD1 4.03Å; V58-L110 HydrophobicContact CG2-CD2 4.37Å; V58-M156 HydrophobicContact CG1-CB 3.71Å; V58-L157 HydrophobicContact CG1-CD2 3.89Å; V58-L157 HydrophobicContact CG1-CG 3.92Å; V58-T160 HydrophobicContact CB-CG2 4.25Å; V58-T160 HydrophobicContact CG1-CG2 4.39Å; V58-T160 HydrophobicContact CG2-CG2 3.83Å |
| 59 | I | 59.3 | Low | 60 | Low | 87 Ų | 87 | 54.6 Ų | 54.6 | 45% | 0.446 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 173.3 | -68.2 | 164.7 | 0 | 0 | 0 | 110.6 | D55 L56 L61 D62 A63 L157 | D55-I59 VanDerWaalsContact O-CG1 3.29Å; D55-I59 WeakPolarHBondContact O-CG1 3.37Å; D55-I59 PolarHBondContact O-N 3.43Å; L56-I59 PolarHBondContact O-N 3.47Å; I59-L61 PolarHBondContact O-N 3.06Å; I59-D62 PolarHBondContact O-N 3.26Å; I59-A63 WeakPolarHBondContact O-CB 3.16Å; I59-A63 PolarHBondContact O-N 3.39Å; I59-L157 HydrophobicContact CG1-CD2 3.88Å |
| 60 | F | 60.2 | Low | 61.4 | Low | 49 Ų | 49 | 52.2 Ų | 52.2 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 174.8 | -84.2 | -57.8 | 0 | 0 | 0 | 111.4 | V42 F46 L48 L56 K57 D62 A63 F64 | V42-F60 HydrophobicContact CG1-CE1 4.4Å; F46-F60 HydrophobicContact CD2-CZ 4.14Å; F46-F60 HydrophobicContact CE2-CZ 4.2Å; L48-F60 HydrophobicContact CD1-CE2 4Å; L56-F60 HydrophobicContact CD1-CD2 4.17Å; L56-F60 HydrophobicContact CD1-CE2 3.76Å; L56-F60 HydrophobicContact CD1-CZ 4.37Å; L56-F60 HydrophobicContact CD2-CE2 3.92Å; L56-F60 HydrophobicContact CG-CD2 3.81Å; L56-F60 HydrophobicContact CG-CE2 3.5Å; L56-F60 VanDerWaalsContact CG-CE2 3.5Å; L56-F60 WeakPolarHBondContact O-CB 3.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.04Å; L56-F60 PolarHBondContact O-N 2.78Å; K57-F60 PolarHBondContact O-N 2.86Å; F60-D62 VanDerWaalsContact C-N 3.34Å; F60-D62 PolarHBondContact O-N 3.41Å; F60-A63 PolarHBondContact O-N 3.42Å; F60-F64 HydrophobicContact CB-CD2 4.22Å; F60-F64 HydrophobicContact CB-CE2 3.91Å; F60-F64 HydrophobicContact CD1-CE2 4.24Å; F60-F64 HydrophobicContact CG-CE2 4.41Å; F60-F64 WeakPolarHBondContact O-CD2 3.35Å; F60-F64 WeakPolarHBondContact O-CG 3.38Å; F60-F64 PolarHBondContact O-N 2.94Å |
| 61 | L | 67.6 | Low | 62.6 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 175.9 | -76.9 | 178.2 | 0 | 0 | 0 | 112.6 | K57 V58 I59 F64 V65 I103 I106 L110 F124 M156 | K57-L61 WeakPolarHBondContact O-CG 3.32Å; K57-L61 PolarHBondContact O-N 3.14Å; V58-L61 PolarHBondContact O-N 2.93Å; I59-L61 PolarHBondContact O-N 3.06Å; L61-F64 PolarHBondContact O-N 2.97Å; L61-V65 WeakPolarHBondContact O-CB 3.4Å; L61-V65 WeakPolarHBondContact O-CG2 3.26Å; L61-V65 PolarHBondContact O-N 3.35Å; L61-I103 HydrophobicContact CD2-CB 4.31Å; L61-I103 HydrophobicContact CD2-CG2 3.67Å; L61-I106 HydrophobicContact CD1-CG2 4.29Å; L61-I106 HydrophobicContact CD2-CB 3.97Å; L61-I106 HydrophobicContact CD2-CG2 3.82Å; L61-I106 HydrophobicContact CG-CB 4.48Å; L61-I106 HydrophobicContact CG-CG2 3.78Å; L61-L110 HydrophobicContact CD1-CD1 3.33Å; L61-L110 HydrophobicContact CG-CD1 4.32Å; L61-F124 HydrophobicContact CD2-CE1 4.25Å; L61-F124 HydrophobicContact CD2-CZ 4.39Å; L61-M156 HydrophobicContact CD1-CE 4.25Å |
| 62 | D | 69.1 | Low | 63.8 | Low | 43 Ų | 43 | 40.4 Ų | 40.4 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 176.3 | -168.6 | 62.5 | 0 | 0 | 0 | 111.3 | V58 I59 F60 V65 E66 C153 L157 | V58-D62 PolarHBondContact O-N 2.98Å; I59-D62 PolarHBondContact O-N 3.26Å; F60-D62 VanDerWaalsContact C-N 3.34Å; F60-D62 PolarHBondContact O-N 3.41Å; D62-V65 PolarHBondContact O-N 3.2Å; D62-E66 WeakPolarHBondContact O-CB 3.08Å; D62-E66 PolarHBondContact O-N 2.73Å; D62-C153 HydrophobicContact CB-CB 3.88Å; D62-C153 WeakPolarHBondContact OD1-CB 3.01Å; D62-L157 HydrophobicContact CB-CD1 4.05Å |
| 63 | A | 61.1 | Low | 64.6 | Low | 54 Ų | 54 | 35.4 Ų | 35.4 | 45% | 0.446 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I59 F60 V65 E66 W67 | I59-A63 WeakPolarHBondContact O-CB 3.16Å; I59-A63 PolarHBondContact O-N 3.39Å; F60-A63 PolarHBondContact O-N 3.42Å; A63-V65 VanDerWaalsContact C-N 3.34Å; A63-V65 PolarHBondContact O-N 2.86Å; A63-E66 PolarHBondContact O-N 2.72Å; A63-W67 WeakPolarHBondContact O-CB 3.28Å; A63-W67 PolarHBondContact O-N 3.12Å |
| 64 | F | 67.3 | Low | 64.7 | Low | 9 Ų | 9 | 37.3 Ų | 37.3 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.4 | -74.5 | -66.7 | 0 | 0 | 0 | 112 | V39 A43 F60 L61 T68 T99 I103 I106 | V39-F64 HydrophobicContact CB-CE1 4.36Å; V39-F64 HydrophobicContact CG1-CD1 3.21Å; V39-F64 HydrophobicContact CG1-CE1 3.16Å; V39-F64 HydrophobicContact CG1-CG 4.5Å; V39-F64 HydrophobicContact CG1-CZ 4.39Å; V39-F64 WeakPolarHBondContact O-CE1 3.46Å; A43-F64 HydrophobicContact CB-CE1 3.95Å; A43-F64 HydrophobicContact CB-CZ 3.54Å; F60-F64 HydrophobicContact CB-CD2 4.22Å; F60-F64 HydrophobicContact CB-CE2 3.91Å; F60-F64 HydrophobicContact CD1-CE2 4.24Å; F60-F64 HydrophobicContact CG-CE2 4.41Å; F60-F64 WeakPolarHBondContact O-CD2 3.35Å; F60-F64 WeakPolarHBondContact O-CG 3.38Å; F60-F64 PolarHBondContact O-N 2.94Å; L61-F64 PolarHBondContact O-N 2.97Å; F64-T68 WeakPolarHBondContact O-CB 3.08Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 3.42Å; F64-T99 HydrophobicContact CD1-CG2 4.45Å; F64-I103 HydrophobicContact CB-CD1 3.87Å; F64-I103 HydrophobicContact CB-CG1 3.74Å; F64-I103 HydrophobicContact CG-CG1 4.34Å; F64-I106 HydrophobicContact CD2-CD1 3.98Å; F64-I106 HydrophobicContact CE2-CD1 3.6Å; F64-I106 HydrophobicContact CZ-CD1 4.47Å |
| 65 | V | 72.1 | Confident | 64.7 | Low | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.5 | -45.2 | 179.4 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | L61 D62 A63 W67 T68 Y69 I103 F124 L149 R150 | L61-V65 WeakPolarHBondContact O-CB 3.4Å; L61-V65 WeakPolarHBondContact O-CG2 3.26Å; L61-V65 PolarHBondContact O-N 3.35Å; D62-V65 PolarHBondContact O-N 3.2Å; A63-V65 VanDerWaalsContact C-N 3.34Å; A63-V65 PolarHBondContact O-N 2.86Å; V65-W67 VanDerWaalsContact C-N 3.35Å; V65-T68 PolarHBondContact O-N 3.18Å; V65-Y69 WeakPolarHBondContact O-CB 3.06Å; V65-Y69 PolarHBondContact O-N 3.19Å; V65-I103 HydrophobicContact CG2-CD1 4.14Å; V65-F124 HydrophobicContact CG2-CE2 3.9Å; V65-F124 HydrophobicContact CG2-CZ 3.86Å; V65-L149 HydrophobicContact CG1-CB 3.64Å; V65-L149 HydrophobicContact CG2-CB 4.16Å; V65-R150 HydrophobicContact CG1-CB 4.06Å |
| 66 | E | 69.4 | Low | 64.8 | Low | 34 Ų | 34 | 34.1 Ų | 34.1 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -43 | 176.5 | -176.3 | 61.7 | -161.1 | 0 | 0 | 110.7 | D62 A63 T68 Y69 Q70 R150 | D62-E66 WeakPolarHBondContact O-CB 3.08Å; D62-E66 PolarHBondContact O-N 2.73Å; A63-E66 PolarHBondContact O-N 2.72Å; E66-T68 VanDerWaalsContact C-N 3.35Å; E66-T68 PolarHBondContact O-N 3.41Å; E66-Y69 WeakPolarHBondContact O-CB 3.42Å; E66-Y69 PolarHBondContact O-N 3.42Å; E66-Y69 VanDerWaalsContact O-N 3.17Å; E66-Q70 HydrophobicContact CG-CG 4.39Å; E66-Q70 VanDerWaalsContact O-CG 3.3Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.19Å; E66-Q70 PolarHBondContact OE1-NE2 3.16Å; E66-R150 VanDerWaalsContact CD-NH1 3.34Å; E66-R150 IonicContact OE1-NH1 2.73Å; E66-R150 PolarHBondContact OE1-NH1 2.93Å; E66-R150 VanDerWaalsContact OE2-CD 3.27Å; E66-R150 WeakPolarHBondContact OE2-CD 3.42Å; E66-R150 IonicContact OE2-CZ 2.66Å; E66-R150 IonicContact OE2-NE 3.11Å; E66-R150 PolarHBondContact OE2-NE 3.29Å; E66-R150 IonicContact OE2-NH1 2.73Å; E66-R150 PolarHBondContact OE2-NH1 3.23Å |
| 67 | W | 69 | Low | 64.6 | Low | 36 Ų | 36 | 34.3 Ų | 34.3 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.8 | 178.6 | 86.9 | 0 | 0 | 0 | 111.2 | S36 V39 A63 V65 Y69 Q70 F71 I95 T99 | S36-W67 WeakPolarHBondContact OG-CH2 3.22Å; S36-W67 WeakPolarHBondContact OG-CZ2 3.45Å; V39-W67 HydrophobicContact CG1-CD2 4.42Å; V39-W67 HydrophobicContact CG2-CG 4.25Å; A63-W67 WeakPolarHBondContact O-CB 3.28Å; A63-W67 PolarHBondContact O-N 3.12Å; V65-W67 VanDerWaalsContact C-N 3.35Å; W67-Y69 VanDerWaalsContact C-N 3.25Å; W67-Y69 PolarHBondContact O-N 2.94Å; W67-Q70 PolarHBondContact O-N 3.24Å; W67-F71 HydrophobicContact CH2-CB 4.04Å; W67-F71 HydrophobicContact CH2-CD1 4.08Å; W67-F71 AromaticContact CH2-CD2 3.71Å; W67-F71 HydrophobicContact CH2-CD2 3.71Å; W67-F71 HydrophobicContact CH2-CE1 4.46Å; W67-F71 HydrophobicContact CH2-CE2 4.16Å; W67-F71 AromaticContact CH2-CG 3.7Å; W67-F71 HydrophobicContact CH2-CG 3.7Å; W67-F71 HydrophobicContact CZ2-CB 4.05Å; W67-F71 AromaticContact CZ2-CD2 3.58Å; W67-F71 HydrophobicContact CZ2-CD2 3.58Å; W67-F71 HydrophobicContact CZ2-CE2 4.2Å; W67-F71 AromaticContact CZ2-CG 3.9Å; W67-F71 HydrophobicContact CZ2-CG 3.9Å; W67-F71 HydrophobicContact CZ3-CB 4.33Å; W67-F71 HydrophobicContact CZ3-CG 4.32Å; W67-F71 VanDerWaalsContact O-CB 3.25Å; W67-F71 WeakPolarHBondContact O-CB 3.5Å; W67-F71 PolarHBondContact O-N 3.01Å; W67-I95 HydrophobicContact CH2-CG2 4.06Å; W67-T99 HydrophobicContact CE3-CG2 4.19Å; W67-T99 HydrophobicContact CZ3-CG2 4.14Å |
| 68 | T | 69.1 | Low | 64 | Low | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.5 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | F64 V65 E66 A72 V96 T99 F100 W142 | F64-T68 WeakPolarHBondContact O-CB 3.08Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 3.42Å; V65-T68 PolarHBondContact O-N 3.18Å; E66-T68 VanDerWaalsContact C-N 3.35Å; E66-T68 PolarHBondContact O-N 3.41Å; T68-A72 WeakPolarHBondContact O-CB 3.28Å; T68-A72 PolarHBondContact O-N 3.3Å; T68-V96 HydrophobicContact CG2-CG1 4.06Å; T68-V96 HydrophobicContact CG2-CG2 4.47Å; T68-T99 WeakPolarHBondContact OG1-CG2 2.96Å; T68-F100 HydrophobicContact CG2-CE1 3.84Å; T68-F100 HydrophobicContact CG2-CZ 3.92Å; T68-W142 HydrophobicContact CG2-CZ3 4.36Å |
| 69 | Y | 71.9 | Confident | 63.5 | Low | 62 Ų | 62 | 36 Ų | 36 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 176.4 | 175 | -103.4 | 0 | 0 | 0 | 112.8 | V65 E66 W67 A72 S73 C146 C147 | V65-Y69 WeakPolarHBondContact O-CB 3.06Å; V65-Y69 PolarHBondContact O-N 3.19Å; E66-Y69 WeakPolarHBondContact O-CB 3.42Å; E66-Y69 PolarHBondContact O-N 3.42Å; E66-Y69 VanDerWaalsContact O-N 3.17Å; W67-Y69 VanDerWaalsContact C-N 3.25Å; W67-Y69 PolarHBondContact O-N 2.94Å; Y69-A72 WeakPolarHBondContact O-CB 3.29Å; Y69-A72 PolarHBondContact O-N 3.17Å; Y69-S73 WeakPolarHBondContact O-CB 3.41Å; Y69-S73 PolarHBondContact O-N 2.88Å; Y69-S73 PolarHBondContact O-OG 2.85Å; Y69-C146 HydrophobicContact CD2-CB 4.01Å; Y69-C147 WeakPolarHBondContact CE2-SG 2.89Å |
| 70 | Q | 67.5 | Low | 63 | Low | 80 Ų | 80 | 38.1 Ų | 38.1 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 176.6 | -66.7 | -65.1 | -18 | 0 | 0 | 110.9 | E66 W67 A72 S73 S74 | E66-Q70 HydrophobicContact CG-CG 4.39Å; E66-Q70 VanDerWaalsContact O-CG 3.3Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.19Å; E66-Q70 PolarHBondContact OE1-NE2 3.16Å; W67-Q70 PolarHBondContact O-N 3.24Å; Q70-A72 VanDerWaalsContact C-N 3.34Å; Q70-A72 PolarHBondContact O-N 3.11Å; Q70-S73 PolarHBondContact O-N 3.23Å; Q70-S74 WeakPolarHBondContact O-CB 3.16Å; Q70-S74 PolarHBondContact O-N 3.08Å; Q70-S74 PolarHBondContact O-OG 3.34Å |
| 71 | F | 65.4 | Low | 62.2 | Low | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.8 | -52.2 | 171.4 | -173.1 | -107.6 | 0 | 0 | 0 | 110.1 | L32 W67 S73 S74 L75 V92 I95 V96 | L32-F71 HydrophobicContact CD1-CD2 3.9Å; L32-F71 HydrophobicContact CD2-CD2 3.38Å; L32-F71 HydrophobicContact CD2-CE2 3.51Å; L32-F71 HydrophobicContact CD2-CG 4.4Å; L32-F71 HydrophobicContact CG-CD2 3.45Å; L32-F71 VanDerWaalsContact CG-CD2 3.45Å; L32-F71 HydrophobicContact CG-CE2 3.71Å; W67-F71 HydrophobicContact CH2-CB 4.04Å; W67-F71 HydrophobicContact CH2-CD1 4.08Å; W67-F71 AromaticContact CH2-CD2 3.71Å; W67-F71 HydrophobicContact CH2-CD2 3.71Å; W67-F71 HydrophobicContact CH2-CE1 4.46Å; W67-F71 HydrophobicContact CH2-CE2 4.16Å; W67-F71 AromaticContact CH2-CG 3.7Å; W67-F71 HydrophobicContact CH2-CG 3.7Å; W67-F71 HydrophobicContact CZ2-CB 4.05Å; W67-F71 AromaticContact CZ2-CD2 3.58Å; W67-F71 HydrophobicContact CZ2-CD2 3.58Å; W67-F71 HydrophobicContact CZ2-CE2 4.2Å; W67-F71 AromaticContact CZ2-CG 3.9Å; W67-F71 HydrophobicContact CZ2-CG 3.9Å; W67-F71 HydrophobicContact CZ3-CB 4.33Å; W67-F71 HydrophobicContact CZ3-CG 4.32Å; W67-F71 VanDerWaalsContact O-CB 3.25Å; W67-F71 WeakPolarHBondContact O-CB 3.5Å; W67-F71 PolarHBondContact O-N 3.01Å; F71-S73 VanDerWaalsContact C-N 3.33Å; F71-S73 PolarHBondContact O-N 3.26Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-S74 PolarHBondContact O-OG 3.3Å; F71-L75 HydrophobicContact CD1-CD1 3.45Å; F71-L75 VanDerWaalsContact CD1-CD1 3.45Å; F71-L75 HydrophobicContact CD2-CD1 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.22Å; F71-L75 HydrophobicContact CE2-CD1 3.81Å; F71-L75 HydrophobicContact CG-CD1 3.85Å; F71-L75 HydrophobicContact CZ-CD1 3.41Å; F71-L75 VanDerWaalsContact CZ-CD1 3.41Å; F71-L75 WeakPolarHBondContact O-CB 3.46Å; F71-L75 WeakPolarHBondContact O-CD1 3.33Å; F71-L75 WeakPolarHBondContact O-CG 3.41Å; F71-L75 PolarHBondContact O-N 3.36Å; F71-L75 VanDerWaalsContact O-N 3.12Å; F71-V92 HydrophobicContact CE1-CG1 3.88Å; F71-V92 HydrophobicContact CZ-CG1 4.41Å; F71-V92 HydrophobicContact CZ-CG2 4.4Å; F71-I95 HydrophobicContact CE1-CG2 4.24Å; F71-I95 HydrophobicContact CZ-CB 4.5Å; F71-I95 HydrophobicContact CZ-CD1 4.24Å; F71-I95 HydrophobicContact CZ-CG2 4.17Å; F71-V96 HydrophobicContact CD1-CG2 3.72Å; F71-V96 HydrophobicContact CE1-CG2 3.73Å |
| 72 | A | 65.3 | Low | 61.2 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.3 | -50.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T68 Y69 Q70 S74 L75 S76 W142 I143 | T68-A72 WeakPolarHBondContact O-CB 3.28Å; T68-A72 PolarHBondContact O-N 3.3Å; Y69-A72 WeakPolarHBondContact O-CB 3.29Å; Y69-A72 PolarHBondContact O-N 3.17Å; Q70-A72 VanDerWaalsContact C-N 3.34Å; Q70-A72 PolarHBondContact O-N 3.11Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.3Å; A72-L75 PolarHBondContact O-N 3.07Å; A72-L75 VanDerWaalsContact O-N 3.15Å; A72-S76 PolarHBondContact O-N 3.38Å; A72-W142 HydrophobicContact CB-CE3 4.02Å; A72-W142 HydrophobicContact CB-CH2 3.58Å; A72-W142 HydrophobicContact CB-CZ3 3.11Å; A72-I143 HydrophobicContact CB-CB 4.39Å; A72-I143 HydrophobicContact CB-CD1 4.2Å; A72-I143 HydrophobicContact CB-CG1 3.98Å; A72-I143 HydrophobicContact CB-CG2 4.01Å |
| 73 | S | 66.2 | Low | 60 | Low | 45 Ų | 45 | 47 Ų | 47 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | -171.9 | -61.1 | 0 | 0 | 0 | 0 | 111 | Y69 Q70 F71 L75 | Y69-S73 WeakPolarHBondContact O-CB 3.41Å; Y69-S73 PolarHBondContact O-N 2.88Å; Y69-S73 PolarHBondContact O-OG 2.85Å; Q70-S73 PolarHBondContact O-N 3.23Å; F71-S73 VanDerWaalsContact C-N 3.33Å; F71-S73 PolarHBondContact O-N 3.26Å; S73-L75 VanDerWaalsContact C-N 3.31Å |
| 74 | S | 61.3 | Low | 59.3 | Low | 50 Ų | 50 | 47.5 Ų | 47.5 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73 | -23.5 | 174.9 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | L32 Q70 F71 A72 P77 | L32-S74 WeakPolarHBondContact CD2-OG 3.4Å; Q70-S74 WeakPolarHBondContact O-CB 3.16Å; Q70-S74 PolarHBondContact O-N 3.08Å; Q70-S74 PolarHBondContact O-OG 3.34Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-S74 PolarHBondContact O-OG 3.3Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.3Å; S74-P77 WeakPolarHBondContact O-CD 3.46Å |
| 75 | L | 61 | Low | 58.6 | Low | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -93.7 | -27.9 | -178.5 | -81.8 | 161 | 0 | 0 | 0 | 113.8 | Y29 L32 F71 A72 S73 P77 V78 L79 V92 | Y29-L75 HydrophobicContact CD1-CD2 4.5Å; Y29-L75 HydrophobicContact CE1-CD2 3.68Å; L32-L75 HydrophobicContact CD2-CG 4.49Å; F71-L75 HydrophobicContact CD1-CD1 3.45Å; F71-L75 VanDerWaalsContact CD1-CD1 3.45Å; F71-L75 HydrophobicContact CD2-CD1 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.22Å; F71-L75 HydrophobicContact CE2-CD1 3.81Å; F71-L75 HydrophobicContact CG-CD1 3.85Å; F71-L75 HydrophobicContact CZ-CD1 3.41Å; F71-L75 VanDerWaalsContact CZ-CD1 3.41Å; F71-L75 WeakPolarHBondContact O-CB 3.46Å; F71-L75 WeakPolarHBondContact O-CD1 3.33Å; F71-L75 WeakPolarHBondContact O-CG 3.41Å; F71-L75 PolarHBondContact O-N 3.36Å; F71-L75 VanDerWaalsContact O-N 3.12Å; A72-L75 PolarHBondContact O-N 3.07Å; A72-L75 VanDerWaalsContact O-N 3.15Å; S73-L75 VanDerWaalsContact C-N 3.31Å; L75-P77 WeakPolarHBondContact O-CD 3.42Å; L75-V78 PolarHBondContact O-N 3.47Å; L75-L79 HydrophobicContact CB-CD1 3.78Å; L75-L79 HydrophobicContact CB-CG 4.42Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.28Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-V92 HydrophobicContact CD1-CB 4.33Å; L75-V92 HydrophobicContact CD1-CG1 3.42Å; L75-V92 VanDerWaalsContact CD1-CG1 3.42Å; L75-V92 HydrophobicContact CD1-CG2 3.94Å; L75-V92 HydrophobicContact CD2-CG1 4.35Å; L75-V92 HydrophobicContact CD2-CG2 3.72Å; L75-V92 HydrophobicContact CG-CG1 4.41Å |
| 76 | S | 57.8 | Low | 57.7 | Low | 54 Ų | 54 | 53 Ų | 53 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -32 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 115.2 | A72 N80 | A72-S76 PolarHBondContact O-N 3.38Å; S76-N80 PolarHBondContact O-ND2 3.37Å |
| 77 | P | 50.6 | Low | 57 | Low | 78 Ų | 78 | 58.9 Ų | 58.9 | 51% | 0.506 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27 | 174.2 | -16.6 | 31.1 | 0 | 0 | 0 | 114 | S74 L75 | S74-P77 WeakPolarHBondContact O-CD 3.46Å; L75-P77 WeakPolarHBondContact O-CD 3.42Å |
| 78 | V | 50.7 | Low | 56.4 | Low | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -111.6 | 16.2 | -165.9 | -179.6 | 0 | 0 | 0 | 0 | 113 | Y29 L75 E85 | Y29-V78 HydrophobicContact CE1-CG1 4.5Å; Y29-V78 HydrophobicContact CE2-CG1 4.09Å; Y29-V78 HydrophobicContact CE2-CG2 4.37Å; Y29-V78 WeakPolarHBondContact OH-CB 3.33Å; Y29-V78 VanDerWaalsContact OH-CG1 3.26Å; Y29-V78 WeakPolarHBondContact OH-CG1 2.88Å; Y29-V78 WeakPolarHBondContact OH-CG2 3.47Å; L75-V78 PolarHBondContact O-N 3.47Å; V78-E85 VanDerWaalsContact C-OE1 3.24Å; V78-E85 VanDerWaalsContact O-CD 3.32Å |
| 79 | L | 51.7 | Low | 55.9 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -119.5 | 2.2 | 174.7 | -61 | 164.3 | 0 | 0 | 0 | 111.7 | L75 V89 F140 | L75-L79 HydrophobicContact CB-CD1 3.78Å; L75-L79 HydrophobicContact CB-CG 4.42Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.28Å; L75-L79 PolarHBondContact O-N 2.96Å; L79-V89 HydrophobicContact CB-CG2 4.48Å; L79-V89 HydrophobicContact CD2-CB 4.22Å; L79-V89 HydrophobicContact CD2-CG2 3.47Å; L79-V89 VanDerWaalsContact CD2-CG2 3.47Å; L79-F140 HydrophobicContact CB-CE1 4.41Å; L79-F140 HydrophobicContact CB-CE2 4.28Å; L79-F140 HydrophobicContact CB-CZ 4.04Å; L79-F140 HydrophobicContact CD1-CD1 3.62Å; L79-F140 HydrophobicContact CD1-CE1 3.15Å; L79-F140 HydrophobicContact CD1-CE2 4.43Å; L79-F140 HydrophobicContact CD1-CG 4.45Å; L79-F140 HydrophobicContact CD1-CZ 3.59Å; L79-F140 HydrophobicContact CD2-CE1 4.04Å; L79-F140 HydrophobicContact CD2-CZ 3.72Å; L79-F140 HydrophobicContact CG-CE1 4.05Å; L79-F140 HydrophobicContact CG-CZ 3.97Å |
| 80 | N | 50 | Low | 55.5 | Low | 131 Ų | 131 | 62.7 Ų | 62.7 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -98.9 | 6 | -178.3 | -80.9 | -38.5 | 0 | 0 | 0 | 112.1 | S76 | S76-N80 PolarHBondContact O-ND2 3.37Š|
| 81 | E | 43.1 | Very low | 55.1 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -129.1 | 81.5 | -163 | -56.9 | -159.1 | 135.6 | 0 | 0 | 114.3 | E85 G394 S395 | E81-E85 WeakPolarHBondContact CA-OE1 3.4Å; E81-E85 WeakPolarHBondContact CA-OE2 3.42Å; E81-E85 VanDerWaalsContact CB-OE1 3.27Å; E81-E85 WeakPolarHBondContact CB-OE1 3.33Å; E81-E85 PolarHBondContact N-OE1 3.18Å; E81-E85 PolarHBondContact N-OE2 2.96Å; E81-E85 WeakPolarHBondContact O-CG 3.07Å; E81-E85 VanDerWaalsContact O-OE1 3.08Å; E81-G394 VanDerWaalsContact CD-C 3.48Å; E81-G394 WeakPolarHBondContact OE2-CA 3.25Å; E81-S395 WeakPolarHBondContact CB-OG 3.36Å; E81-S395 WeakPolarHBondContact CG-OG 3.06Å; E81-S395 WeakPolarHBondContact OE1-CA 3.45Å; E81-S395 WeakPolarHBondContact OE1-CB 3.14Å; E81-S395 PolarHBondContact OE1-N 2.91Å; E81-S395 PolarHBondContact OE1-OG 3.28Å; E81-S395 WeakPolarHBondContact OE2-CB 3.46Å; E81-S395 PolarHBondContact OE2-N 2.92Å |
| 82 | N | 45.1 | Very low | 55.1 | Low | 117 Ų | 117 | 59.7 Ų | 59.7 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | 60.4 | 109.1 | 157.8 | -60.3 | -47.2 | 0 | 0 | 0 | 118.6 | G84 | N82-G84 VanDerWaalsContact C-N 3.3Å; N82-G84 PolarHBondContact O-N 3.03Å | ||
| 83 | T | 44.7 | Very low | 55.3 | Low | 126 Ų | 126 | 60.3 Ų | 60.3 | 77% | 0.773 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | -36.9 | 141.9 | 51.7 | 0 | 0 | 0 | 0 | 122.6 | E85 | T83-E85 VanDerWaalsContact C-N 3.28Š|
| 84 | G | 45.2 | Very low | 55.4 | Low | 64 Ų | 64 | 61.1 Ų | 61.1 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N82 I86 | N82-G84 VanDerWaalsContact C-N 3.3Å; N82-G84 PolarHBondContact O-N 3.03Å; G84-I86 VanDerWaalsContact C-N 3.32Å; G84-I86 PolarHBondContact O-N 2.97Å |
| 85 | E | 52.8 | Low | 55.6 | Low | 29 Ų | 29 | 58.8 Ų | 58.8 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.2 | -19.4 | 179.6 | -73.8 | -179.2 | 162.4 | 0 | 0 | 114.5 | V78 E81 T83 R87 M88 V89 | V78-E85 VanDerWaalsContact C-OE1 3.24Å; V78-E85 VanDerWaalsContact O-CD 3.32Å; E81-E85 WeakPolarHBondContact CA-OE1 3.4Å; E81-E85 WeakPolarHBondContact CA-OE2 3.42Å; E81-E85 VanDerWaalsContact CB-OE1 3.27Å; E81-E85 WeakPolarHBondContact CB-OE1 3.33Å; E81-E85 PolarHBondContact N-OE1 3.18Å; E81-E85 PolarHBondContact N-OE2 2.96Å; E81-E85 WeakPolarHBondContact O-CG 3.07Å; E81-E85 VanDerWaalsContact O-OE1 3.08Å; T83-E85 VanDerWaalsContact C-N 3.28Å; E85-R87 PolarHBondContact O-N 3.37Å; E85-M88 CarbonylContact O-C 3.58Å; E85-M88 PolarHBondContact O-N 3.17Å; E85-V89 HydrophobicContact CB-CG2 4.02Å; E85-V89 WeakPolarHBondContact O-CB 3.03Å; E85-V89 WeakPolarHBondContact O-CG2 3.5Å; E85-V89 PolarHBondContact O-N 3Å |
| 86 | I | 53.7 | Low | 56.1 | Low | 96 Ų | 96 | 58.7 Ų | 58.7 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.4 | -32.6 | -176.3 | -62.3 | 173.8 | 0 | 0 | 0 | 111.6 | G84 R90 | G84-I86 VanDerWaalsContact C-N 3.32Å; G84-I86 PolarHBondContact O-N 2.97Å; I86-R90 VanDerWaalsContact O-CB 3.27Å; I86-R90 WeakPolarHBondContact O-CB 3.28Å; I86-R90 PolarHBondContact O-N 3.41Å; I86-R90 VanDerWaalsContact O-N 3.1Å |
| 87 | R | 55 | Low | 56.9 | Low | 158 Ų | 158 | 58 Ų | 58 | 60% | 0.596 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.9 | -53 | 174.1 | -70.9 | -176.5 | 179.4 | 174.6 | 1.9 | 111.4 | E85 V89 R90 I91 | E85-R87 PolarHBondContact O-N 3.37Å; R87-V89 PolarHBondContact O-N 3.4Å; R87-R90 WeakPolarHBondContact O-CB 3.47Å; R87-R90 PolarHBondContact O-N 2.88Å; R87-R90 VanDerWaalsContact O-N 3.1Å; R87-I91 WeakPolarHBondContact O-CG1 3.32Å; R87-I91 PolarHBondContact O-N 3.32Å |
| 88 | M | 55.8 | Low | 57.7 | Low | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.9 | -50.6 | 175.4 | -78.5 | -73.6 | -77.6 | 0 | 0 | 111.8 | L20 T24 Y29 E85 R90 I91 V92 | L20-M88 HydrophobicContact CD1-CG 4.21Å; L20-M88 HydrophobicContact CD1-SD 3.06Å; L20-M88 WeakPolarHBondContact CD1-SD 3.12Å; L20-M88 HydrophobicContact CD2-CE 4.31Å; L20-M88 HydrophobicContact CD2-SD 3.71Å; L20-M88 HydrophobicContact CG-CE 4.41Å; L20-M88 HydrophobicContact CG-SD 3.42Å; L20-M88 WeakPolarHBondContact CG-SD 3.12Å; T24-M88 HydrophobicContact CG2-CE 4.2Å; T24-M88 HydrophobicContact CG2-SD 4.33Å; Y29-M88 HydrophobicContact CD1-CE 4.39Å; E85-M88 CarbonylContact O-C 3.58Å; E85-M88 PolarHBondContact O-N 3.17Å; M88-R90 VanDerWaalsContact C-N 3.31Å; M88-R90 PolarHBondContact O-N 2.96Å; M88-I91 PolarHBondContact O-N 3.27Å; M88-I91 VanDerWaalsContact O-N 3.1Å; M88-V92 VanDerWaalsContact O-CB 3.31Å; M88-V92 WeakPolarHBondContact O-CB 3.25Å; M88-V92 VanDerWaalsContact O-CG2 3.23Å; M88-V92 WeakPolarHBondContact O-CG2 3.39Å; M88-V92 PolarHBondContact O-N 2.9Å |
| 89 | V | 59.9 | Low | 58.6 | Low | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -49.2 | -48.8 | 172.8 | 158.7 | 0 | 0 | 0 | 0 | 111.6 | L79 E85 R87 N93 M139 F140 | L79-V89 HydrophobicContact CB-CG2 4.48Å; L79-V89 HydrophobicContact CD2-CB 4.22Å; L79-V89 HydrophobicContact CD2-CG2 3.47Å; L79-V89 VanDerWaalsContact CD2-CG2 3.47Å; E85-V89 HydrophobicContact CB-CG2 4.02Å; E85-V89 WeakPolarHBondContact O-CB 3.03Å; E85-V89 WeakPolarHBondContact O-CG2 3.5Å; E85-V89 PolarHBondContact O-N 3Å; R87-V89 PolarHBondContact O-N 3.4Å; V89-N93 WeakPolarHBondContact O-CB 3.24Å; V89-N93 PolarHBondContact O-N 2.79Å; V89-M139 HydrophobicContact CG1-CB 4.25Å; V89-M139 HydrophobicContact CG1-CG 4.31Å; V89-M139 HydrophobicContact CG1-SD 3.5Å; V89-M139 VanDerWaalsContact CG1-SD 3.5Å; V89-F140 HydrophobicContact CB-CE2 4.17Å; V89-F140 HydrophobicContact CB-CZ 3.66Å; V89-F140 HydrophobicContact CG1-CE1 4.37Å; V89-F140 HydrophobicContact CG1-CE2 3.46Å; V89-F140 VanDerWaalsContact CG1-CE2 3.46Å; V89-F140 HydrophobicContact CG1-CZ 3.23Å; V89-F140 HydrophobicContact CG2-CE2 3.89Å; V89-F140 HydrophobicContact CG2-CZ 3.59Å |
| 90 | R | 62.6 | Low | 60 | Low | 134 Ų | 134 | 53.7 Ų | 53.7 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 179.8 | -173.1 | -177.9 | -63.2 | 175 | -1.7 | 111.3 | I86 R87 M88 N93 N94 M139 | I86-R90 VanDerWaalsContact O-CB 3.27Å; I86-R90 WeakPolarHBondContact O-CB 3.28Å; I86-R90 PolarHBondContact O-N 3.41Å; I86-R90 VanDerWaalsContact O-N 3.1Å; R87-R90 WeakPolarHBondContact O-CB 3.47Å; R87-R90 PolarHBondContact O-N 2.88Å; R87-R90 VanDerWaalsContact O-N 3.1Å; M88-R90 VanDerWaalsContact C-N 3.31Å; M88-R90 PolarHBondContact O-N 2.96Å; R90-N93 PolarHBondContact O-N 2.83Å; R90-N94 WeakPolarHBondContact O-CB 3.31Å; R90-N94 PolarHBondContact O-N 2.91Å; R90-N94 PolarHBondContact O-ND2 3.47Å; R90-N94 PolarHBondContact O-OD1 3.36Å; R90-M139 HydrophobicContact CB-CE 4.45Å |
| 91 | I | 60.3 | Low | 61.3 | Low | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | -179.6 | -63.7 | 170.5 | 0 | 0 | 0 | 110.3 | L20 R87 M88 N93 N94 I95 | L20-I91 HydrophobicContact CD1-CB 4.46Å; L20-I91 HydrophobicContact CD1-CD1 3.42Å; L20-I91 VanDerWaalsContact CD1-CD1 3.42Å; L20-I91 HydrophobicContact CD1-CG2 4.38Å; L20-I91 HydrophobicContact CD2-CG2 3.94Å; R87-I91 WeakPolarHBondContact O-CG1 3.32Å; R87-I91 PolarHBondContact O-N 3.32Å; M88-I91 PolarHBondContact O-N 3.27Å; M88-I91 VanDerWaalsContact O-N 3.1Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 2.92Å; I91-N94 WeakPolarHBondContact O-CB 3.03Å; I91-N94 PolarHBondContact O-N 3.33Å; I91-N94 VanDerWaalsContact O-N 3.11Å; I91-I95 HydrophobicContact CG2-CD1 4.13Å; I91-I95 WeakPolarHBondContact O-CG1 3.33Å; I91-I95 PolarHBondContact O-N 2.89Å |
| 92 | V | 64.3 | Low | 62.6 | Low | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 172.2 | 163.5 | 0 | 0 | 0 | 0 | 111.2 | F71 L75 M88 N94 I95 V96 F140 W142 | F71-V92 HydrophobicContact CE1-CG1 3.88Å; F71-V92 HydrophobicContact CZ-CG1 4.41Å; F71-V92 HydrophobicContact CZ-CG2 4.4Å; L75-V92 HydrophobicContact CD1-CB 4.33Å; L75-V92 HydrophobicContact CD1-CG1 3.42Å; L75-V92 VanDerWaalsContact CD1-CG1 3.42Å; L75-V92 HydrophobicContact CD1-CG2 3.94Å; L75-V92 HydrophobicContact CD2-CG1 4.35Å; L75-V92 HydrophobicContact CD2-CG2 3.72Å; L75-V92 HydrophobicContact CG-CG1 4.41Å; M88-V92 VanDerWaalsContact O-CB 3.31Å; M88-V92 WeakPolarHBondContact O-CB 3.25Å; M88-V92 VanDerWaalsContact O-CG2 3.23Å; M88-V92 WeakPolarHBondContact O-CG2 3.39Å; M88-V92 PolarHBondContact O-N 2.9Å; V92-N94 VanDerWaalsContact C-N 3.29Å; V92-N94 PolarHBondContact O-N 2.98Å; V92-I95 PolarHBondContact O-N 3.05Å; V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 3.47Å; V92-F140 HydrophobicContact CG1-CE1 4.49Å; V92-W142 HydrophobicContact CG1-CZ2 4.41Å |
| 93 | N | 69.7 | Low | 64.1 | Low | 14 Ų | 14 | 42.2 Ų | 42.2 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 177.6 | -169.5 | 81.6 | 0 | 0 | 0 | 111.5 | V89 R90 I91 V96 M97 | V89-N93 WeakPolarHBondContact O-CB 3.24Å; V89-N93 PolarHBondContact O-N 2.79Å; R90-N93 PolarHBondContact O-N 2.83Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 2.92Å; N93-V96 PolarHBondContact O-N 2.79Å; N93-M97 WeakPolarHBondContact O-CB 3.45Å; N93-M97 WeakPolarHBondContact O-CG 3.27Å; N93-M97 PolarHBondContact O-N 3Å |
| 94 | N | 67.5 | Low | 66 | Low | 61 Ų | 61 | 37.5 Ų | 37.5 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 174.6 | -69.1 | -9.2 | 0 | 0 | 0 | 111.1 | R90 I91 V92 V96 M97 E98 | R90-N94 WeakPolarHBondContact O-CB 3.31Å; R90-N94 PolarHBondContact O-N 2.91Å; R90-N94 PolarHBondContact O-ND2 3.47Å; R90-N94 PolarHBondContact O-OD1 3.36Å; I91-N94 WeakPolarHBondContact O-CB 3.03Å; I91-N94 PolarHBondContact O-N 3.33Å; I91-N94 VanDerWaalsContact O-N 3.11Å; V92-N94 VanDerWaalsContact C-N 3.29Å; V92-N94 PolarHBondContact O-N 2.98Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.73Å; N94-M97 PolarHBondContact O-N 3.31Å; N94-E98 VanDerWaalsContact O-CG 3.27Å; N94-E98 WeakPolarHBondContact O-CG 3.47Å; N94-E98 PolarHBondContact O-N 2.88Å |
| 95 | I | 65.2 | Low | 67.4 | Low | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.3 | -51.9 | 174 | -65.1 | 162 | 0 | 0 | 0 | 110.5 | F13 I17 L33 W67 F71 I91 V92 M97 E98 T99 | F13-I95 HydrophobicContact CD2-CG1 4.46Å; F13-I95 HydrophobicContact CE2-CB 4.08Å; F13-I95 HydrophobicContact CE2-CG1 3.42Å; F13-I95 VanDerWaalsContact CE2-CG1 3.42Å; F13-I95 HydrophobicContact CZ-CG1 3.92Å; I17-I95 HydrophobicContact CG1-CD1 4.48Å; L33-I95 HydrophobicContact CD2-CD1 3.87Å; W67-I95 HydrophobicContact CH2-CG2 4.06Å; F71-I95 HydrophobicContact CE1-CG2 4.24Å; F71-I95 HydrophobicContact CZ-CB 4.5Å; F71-I95 HydrophobicContact CZ-CD1 4.24Å; F71-I95 HydrophobicContact CZ-CG2 4.17Å; I91-I95 HydrophobicContact CG2-CD1 4.13Å; I91-I95 WeakPolarHBondContact O-CG1 3.33Å; I91-I95 PolarHBondContact O-N 2.89Å; V92-I95 PolarHBondContact O-N 3.05Å; I95-M97 VanDerWaalsContact C-N 3.33Å; I95-M97 PolarHBondContact O-N 3Å; I95-E98 PolarHBondContact O-N 2.96Å; I95-T99 PolarHBondContact O-N 2.62Å; I95-T99 PolarHBondContact O-OG1 3.41Å |
| 96 | V | 71.5 | Confident | 68.4 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | -179.8 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | T68 F71 V92 N93 N94 T99 F100 W142 | T68-V96 HydrophobicContact CG2-CG1 4.06Å; T68-V96 HydrophobicContact CG2-CG2 4.47Å; F71-V96 HydrophobicContact CD1-CG2 3.72Å; F71-V96 HydrophobicContact CE1-CG2 3.73Å; V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 3.47Å; N93-V96 PolarHBondContact O-N 2.79Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.73Å; V96-T99 PolarHBondContact O-N 2.9Å; V96-F100 HydrophobicContact CG1-CD2 3.79Å; V96-F100 HydrophobicContact CG1-CE2 3.34Å; V96-F100 HydrophobicContact CG1-CZ 3.82Å; V96-F100 WeakPolarHBondContact O-CD2 3.24Å; V96-F100 WeakPolarHBondContact O-CG 3.41Å; V96-F100 PolarHBondContact O-N 3.05Å; V96-W142 HydrophobicContact CB-CZ2 4.43Å; V96-W142 HydrophobicContact CG1-CD2 3.82Å; V96-W142 HydrophobicContact CG1-CE3 3.92Å; V96-W142 HydrophobicContact CG1-CG 4.2Å; V96-W142 HydrophobicContact CG1-CH2 4.4Å; V96-W142 HydrophobicContact CG1-CZ2 4.34Å; V96-W142 HydrophobicContact CG1-CZ3 4.13Å; V96-W142 HydrophobicContact CG2-CH2 3.59Å; V96-W142 HydrophobicContact CG2-CZ2 3.77Å; V96-W142 HydrophobicContact CG2-CZ3 3.93Å |
| 97 | M | 75.3 | Confident | 69.7 | Low | 40 Ų | 40 | 31.3 Ų | 31.3 | 20% | 0.197 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -37.3 | 178.9 | -72.4 | -58.7 | -52.9 | 0 | 0 | 112.6 | N93 N94 I95 F100 A101 M132 S135 | N93-M97 WeakPolarHBondContact O-CB 3.45Å; N93-M97 WeakPolarHBondContact O-CG 3.27Å; N93-M97 PolarHBondContact O-N 3Å; N94-M97 PolarHBondContact O-N 3.31Å; I95-M97 VanDerWaalsContact C-N 3.33Å; I95-M97 PolarHBondContact O-N 3Å; M97-F100 PolarHBondContact O-N 3.49Å; M97-F100 HydrophobicContact SD-CD2 4.26Å; M97-A101 PolarHBondContact O-N 3.17Å; M97-M132 HydrophobicContact CE-CB 3.95Å; M97-M132 HydrophobicContact CE-CG 4.18Å; M97-S135 VanDerWaalsContact SD-CB 3.56Å |
| 98 | E | 68.2 | Low | 71 | Confident | 54 Ų | 54 | 26.7 Ų | 26.7 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 172.3 | -67.1 | -69.7 | 173.4 | 0 | 0 | 110.3 | F13 N94 I95 F100 A101 V102 | F13-E98 HydrophobicContact CD2-CG 4.16Å; F13-E98 HydrophobicContact CE2-CG 4.28Å; N94-E98 VanDerWaalsContact O-CG 3.27Å; N94-E98 WeakPolarHBondContact O-CG 3.47Å; N94-E98 PolarHBondContact O-N 2.88Å; I95-E98 PolarHBondContact O-N 2.96Å; E98-F100 VanDerWaalsContact C-N 3.34Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-A101 WeakPolarHBondContact O-CB 3.2Å; E98-A101 PolarHBondContact O-N 3.21Å; E98-A101 VanDerWaalsContact O-N 3.11Å; E98-V102 WeakPolarHBondContact O-CG2 3.47Å; E98-V102 PolarHBondContact O-N 3.06Å |
| 99 | T | 69.8 | Low | 71.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 173.9 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | F64 W67 T68 I95 V96 A101 V102 I103 | F64-T99 HydrophobicContact CD1-CG2 4.45Å; W67-T99 HydrophobicContact CE3-CG2 4.19Å; W67-T99 HydrophobicContact CZ3-CG2 4.14Å; T68-T99 WeakPolarHBondContact OG1-CG2 2.96Å; I95-T99 PolarHBondContact O-N 2.62Å; I95-T99 PolarHBondContact O-OG1 3.41Å; V96-T99 PolarHBondContact O-N 2.9Å; T99-A101 VanDerWaalsContact C-N 3.32Å; T99-A101 PolarHBondContact O-N 3.47Å; T99-V102 WeakPolarHBondContact O-CB 3.39Å; T99-V102 PolarHBondContact O-N 3.32Å; T99-I103 HydrophobicContact CG2-CD1 4.08Å; T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.35Å; T99-I103 PolarHBondContact O-N 2.92Å |
| 100 | F | 79.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 175.3 | -72.7 | -33.4 | 0 | 0 | 0 | 113.4 | T68 V96 M97 E98 I103 D104 L128 V131 M132 W142 L149 | T68-F100 HydrophobicContact CG2-CE1 3.84Å; T68-F100 HydrophobicContact CG2-CZ 3.92Å; V96-F100 HydrophobicContact CG1-CD2 3.79Å; V96-F100 HydrophobicContact CG1-CE2 3.34Å; V96-F100 HydrophobicContact CG1-CZ 3.82Å; V96-F100 WeakPolarHBondContact O-CD2 3.24Å; V96-F100 WeakPolarHBondContact O-CG 3.41Å; V96-F100 PolarHBondContact O-N 3.05Å; M97-F100 PolarHBondContact O-N 3.49Å; M97-F100 HydrophobicContact SD-CD2 4.26Å; E98-F100 VanDerWaalsContact C-N 3.34Å; E98-F100 PolarHBondContact O-N 3.41Å; F100-I103 HydrophobicContact CD1-CD1 3.95Å; F100-I103 PolarHBondContact O-N 2.74Å; F100-D104 PolarHBondContact O-N 3.31Å; F100-L128 HydrophobicContact CB-CD1 4.07Å; F100-L128 HydrophobicContact CD1-CD1 3.68Å; F100-L128 HydrophobicContact CE1-CD1 4.4Å; F100-L128 HydrophobicContact CG-CD1 4.03Å; F100-V131 HydrophobicContact CD2-CG1 4.06Å; F100-V131 HydrophobicContact CE2-CG1 3.44Å; F100-V131 VanDerWaalsContact CE2-CG1 3.44Å; F100-V131 HydrophobicContact CZ-CG1 3.78Å; F100-M132 HydrophobicContact CB-CG 3.81Å; F100-M132 HydrophobicContact CB-SD 4.21Å; F100-M132 HydrophobicContact CD2-CG 4.49Å; F100-M132 HydrophobicContact CG-CG 4.44Å; F100-W142 HydrophobicContact CE2-CB 3.92Å; F100-W142 HydrophobicContact CE2-CG 4.4Å; F100-W142 HydrophobicContact CZ-CB 4.22Å; F100-L149 HydrophobicContact CE1-CD1 3.95Å |
| 101 | A | 76.9 | Confident | 73.5 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 28% | 0.281 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.8 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M97 E98 T99 D104 A105 M132 | M97-A101 PolarHBondContact O-N 3.17Å; E98-A101 WeakPolarHBondContact O-CB 3.2Å; E98-A101 PolarHBondContact O-N 3.21Å; E98-A101 VanDerWaalsContact O-N 3.11Å; T99-A101 VanDerWaalsContact C-N 3.32Å; T99-A101 PolarHBondContact O-N 3.47Å; A101-D104 PolarHBondContact O-N 3.45Å; A101-A105 PolarHBondContact O-N 3.45Å; A101-M132 HydrophobicContact CB-CE 4.15Å |
| 102 | V | 70.4 | Confident | 74.4 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -47 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | I7 L40 A43 E98 T99 D104 A105 I106 | I7-V102 HydrophobicContact CD1-CG2 4.17Å; L40-V102 HydrophobicContact CD2-CG2 4.14Å; A43-V102 HydrophobicContact CB-CG1 3.61Å; E98-V102 WeakPolarHBondContact O-CG2 3.47Å; E98-V102 PolarHBondContact O-N 3.06Å; T99-V102 WeakPolarHBondContact O-CB 3.39Å; T99-V102 PolarHBondContact O-N 3.32Å; V102-D104 VanDerWaalsContact C-N 3.27Å; V102-D104 PolarHBondContact O-N 3.38Å; V102-A105 WeakPolarHBondContact O-CB 3.29Å; V102-A105 PolarHBondContact O-N 3.14Å; V102-A105 VanDerWaalsContact O-N 3.16Å; V102-I106 HydrophobicContact CG1-CD1 4.03Å; V102-I106 WeakPolarHBondContact O-CG1 3.45Å; V102-I106 PolarHBondContact O-N 3.29Å |
| 103 | I | 77.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 175.7 | -68.2 | 167.5 | 0 | 0 | 0 | 110.4 | L61 F64 V65 T99 F100 T107 F124 L128 | L61-I103 HydrophobicContact CD2-CB 4.31Å; L61-I103 HydrophobicContact CD2-CG2 3.67Å; F64-I103 HydrophobicContact CB-CD1 3.87Å; F64-I103 HydrophobicContact CB-CG1 3.74Å; F64-I103 HydrophobicContact CG-CG1 4.34Å; V65-I103 HydrophobicContact CG2-CD1 4.14Å; T99-I103 HydrophobicContact CG2-CD1 4.08Å; T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.35Å; T99-I103 PolarHBondContact O-N 2.92Å; F100-I103 HydrophobicContact CD1-CD1 3.95Å; F100-I103 PolarHBondContact O-N 2.74Å; I103-T107 VanDerWaalsContact O-CB 3.29Å; I103-T107 WeakPolarHBondContact O-CB 3.43Å; I103-T107 PolarHBondContact O-N 3.47Å; I103-T107 PolarHBondContact O-OG1 3.16Å; I103-F124 HydrophobicContact CG2-CE1 3.58Å; I103-F124 HydrophobicContact CG2-CZ 3.51Å; I103-L128 HydrophobicContact CB-CD2 4.15Å; I103-L128 HydrophobicContact CG2-CD1 4.05Å; I103-L128 HydrophobicContact CG2-CD2 3.53Å; I103-L128 HydrophobicContact CG2-CG 4.44Å |
| 104 | D | 83.3 | Confident | 74.7 | Confident | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 178.6 | -167.5 | 64.4 | 0 | 0 | 0 | 111.6 | F100 A101 V102 T107 N108 L128 M132 | F100-D104 PolarHBondContact O-N 3.31Å; A101-D104 PolarHBondContact O-N 3.45Å; V102-D104 VanDerWaalsContact C-N 3.27Å; V102-D104 PolarHBondContact O-N 3.38Å; D104-T107 WeakPolarHBondContact O-CB 3.3Å; D104-T107 PolarHBondContact O-N 3.09Å; D104-N108 WeakPolarHBondContact O-CB 3.41Å; D104-N108 PolarHBondContact O-N 3.37Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD2-ND2 3.48Å; D104-L128 VanDerWaalsContact CA-CD2 3.48Å; D104-L128 HydrophobicContact CB-CD2 3.66Å; D104-M132 HydrophobicContact CB-SD 4.18Å |
| 105 | A | 76.2 | Confident | 74.8 | Confident | 34 Ų | 34 | 36.8 Ų | 36.8 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -52 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I7 A101 V102 T107 N108 E109 | I7-A105 HydrophobicContact CD1-CB 4.14Å; A101-A105 PolarHBondContact O-N 3.45Å; V102-A105 WeakPolarHBondContact O-CB 3.29Å; V102-A105 PolarHBondContact O-N 3.14Å; V102-A105 VanDerWaalsContact O-N 3.16Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 3.33Å; A105-N108 PolarHBondContact O-N 2.86Å; A105-N108 VanDerWaalsContact O-N 3.14Å; A105-E109 PolarHBondContact O-N 3.27Å |
| 106 | I | 72.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.9 | -62.8 | 167.8 | 0 | 0 | 0 | 110.7 | K57 L61 F64 V102 N108 E109 L110 | K57-I106 HydrophobicContact CB-CG2 4.02Å; K57-I106 HydrophobicContact CG-CG2 4.14Å; L61-I106 HydrophobicContact CD1-CG2 4.29Å; L61-I106 HydrophobicContact CD2-CB 3.97Å; L61-I106 HydrophobicContact CD2-CG2 3.82Å; L61-I106 HydrophobicContact CG-CB 4.48Å; L61-I106 HydrophobicContact CG-CG2 3.78Å; F64-I106 HydrophobicContact CD2-CD1 3.98Å; F64-I106 HydrophobicContact CE2-CD1 3.6Å; F64-I106 HydrophobicContact CZ-CD1 4.47Å; V102-I106 HydrophobicContact CG1-CD1 4.03Å; V102-I106 WeakPolarHBondContact O-CG1 3.45Å; V102-I106 PolarHBondContact O-N 3.29Å; I106-N108 PolarHBondContact O-N 3.49Å; I106-E109 PolarHBondContact O-N 2.95Å; I106-L110 HydrophobicContact CG2-CD1 4.34Å; I106-L110 WeakPolarHBondContact O-CG 2.93Å; I106-L110 PolarHBondContact O-N 3Å |
| 107 | T | 81.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | I103 D104 A105 L110 K111 L121 F124 | I103-T107 VanDerWaalsContact O-CB 3.29Å; I103-T107 WeakPolarHBondContact O-CB 3.43Å; I103-T107 PolarHBondContact O-N 3.47Å; I103-T107 PolarHBondContact O-OG1 3.16Å; D104-T107 WeakPolarHBondContact O-CB 3.3Å; D104-T107 PolarHBondContact O-N 3.09Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 3.33Å; T107-L110 PolarHBondContact O-N 2.62Å; T107-K111 HydrophobicContact CG2-CD 4.29Å; T107-K111 VanDerWaalsContact O-CG 3.25Å; T107-K111 WeakPolarHBondContact O-CG 3.49Å; T107-K111 PolarHBondContact O-N 3.37Å; T107-L121 HydrophobicContact CG2-CD1 3.86Å; T107-F124 HydrophobicContact CG2-CD1 3.95Å; T107-F124 HydrophobicContact CG2-CE1 4.42Å; T107-F124 VanDerWaalsContact OG1-CE1 3.24Å; T107-F124 WeakPolarHBondContact OG1-CE1 3.5Å |
| 108 | N | 81.3 | Confident | 75.8 | Confident | 60 Ų | 60 | 47 Ų | 47 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 179 | -70.2 | -40.9 | 0 | 0 | 0 | 111.6 | D104 A105 I106 K111 S112 | D104-N108 WeakPolarHBondContact O-CB 3.41Å; D104-N108 PolarHBondContact O-N 3.37Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD2-ND2 3.48Å; A105-N108 PolarHBondContact O-N 2.86Å; A105-N108 VanDerWaalsContact O-N 3.14Å; I106-N108 PolarHBondContact O-N 3.49Å; N108-K111 PolarHBondContact O-N 3.25Å; N108-S112 PolarHBondContact O-N 3.21Å; N108-S112 PolarHBondContact O-OG 2.94Å |
| 109 | E | 75.9 | Confident | 76.5 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 172.5 | -71.6 | -176 | -173.5 | 0 | 0 | 113 | K57 A105 I106 K111 S112 G113 | K57-E109 IonicContact NZ-OE2 3.36Å; K57-E109 PolarHBondContact NZ-OE2 3.34Å; A105-E109 PolarHBondContact O-N 3.27Å; I106-E109 PolarHBondContact O-N 2.95Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.06Å; E109-S112 WeakPolarHBondContact CA-OG 3.17Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.95Å; E109-G113 PolarHBondContact O-N 3.04Å |
| 110 | L | 75.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.8 | -78.9 | 171.5 | 0 | 0 | 0 | 111.4 | H54 K57 V58 L61 I106 T107 G113 C114 L121 | H54-L110 WeakPolarHBondContact CD2-CD2 3.24Å; K57-L110 HydrophobicContact CB-CD1 4.02Å; K57-L110 HydrophobicContact CB-CD2 3.54Å; K57-L110 HydrophobicContact CB-CG 3.84Å; K57-L110 HydrophobicContact CD-CD2 3.96Å; K57-L110 HydrophobicContact CD-CG 4.12Å; K57-L110 HydrophobicContact CG-CD2 4.37Å; V58-L110 HydrophobicContact CG2-CD1 4.03Å; V58-L110 HydrophobicContact CG2-CD2 4.37Å; L61-L110 HydrophobicContact CD1-CD1 3.33Å; L61-L110 HydrophobicContact CG-CD1 4.32Å; I106-L110 HydrophobicContact CG2-CD1 4.34Å; I106-L110 WeakPolarHBondContact O-CG 2.93Å; I106-L110 PolarHBondContact O-N 3Å; T107-L110 PolarHBondContact O-N 2.62Å; L110-G113 PolarHBondContact O-N 3.28Å; L110-C114 PolarHBondContact O-N 3.32Å; L110-C114 PolarHBondContact O-SG 3.39Å; L110-L121 HydrophobicContact CB-CD1 4.19Å; L110-L121 HydrophobicContact CB-CD2 3.7Å; L110-L121 HydrophobicContact CD1-CD1 4.11Å |
| 111 | K | 81.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 177.2 | -70.5 | 173.7 | 67.3 | -175.4 | 0 | 112.6 | T107 N108 E109 V117 L121 | T107-K111 HydrophobicContact CG2-CD 4.29Å; T107-K111 VanDerWaalsContact O-CG 3.25Å; T107-K111 WeakPolarHBondContact O-CG 3.49Å; T107-K111 PolarHBondContact O-N 3.37Å; N108-K111 PolarHBondContact O-N 3.25Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.06Å; K111-V117 HydrophobicContact CB-CG1 4.4Å; K111-V117 HydrophobicContact CB-CG2 4.37Å; K111-V117 HydrophobicContact CG-CG1 3.81Å; K111-L121 HydrophobicContact CG-CD2 3.75Å; K111-L121 HydrophobicContact CG-CG 3.89Å |
| 112 | S | 78.4 | Confident | 77.6 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 72% | 0.72 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -76.5 | -26.5 | 178.4 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | N108 E109 | N108-S112 PolarHBondContact O-N 3.21Å; N108-S112 PolarHBondContact O-OG 2.94Å; E109-S112 WeakPolarHBondContact CA-OG 3.17Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.95Å |
| 113 | G | 71.7 | Confident | 78.4 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -78.8 | -13.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E109 L110 | E109-G113 PolarHBondContact O-N 3.04Å; L110-G113 PolarHBondContact O-N 3.28Å |
| 114 | C | 68.9 | Low | 78.9 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | trans | -105.3 | 125.2 | -178.2 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | H54 L110 E116 | H54-C114 PolarHBondContact CD2-SG 3.35Å; H54-C114 PolarHBondContact NE2-SG 3.43Å; L110-C114 PolarHBondContact O-N 3.32Å; L110-C114 PolarHBondContact O-SG 3.39Å; C114-E116 VanDerWaalsContact C-N 3.31Å; C114-E116 PolarHBondContact O-N 3.31Å | ||
| 115 | P | 68.4 | Low | 79.2 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 91% | 0.909 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -65.2 | -34.8 | 173.7 | 23.9 | -30.4 | 0 | 0 | 0 | 112.3 | ||
| 116 | E | 77 | Confident | 79.9 | Confident | 172 Ų | 172 | 58 Ų | 58 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -119.3 | 107.2 | 169 | -70.4 | -172.2 | 172.6 | 0 | 0 | 109.1 | C114 P118 | C114-E116 VanDerWaalsContact C-N 3.31Å; C114-E116 PolarHBondContact O-N 3.31Å; E116-P118 WeakPolarHBondContact O-CD 3.45Å |
| 117 | V | 76.9 | Confident | 80.6 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | trans | -70.2 | 121.7 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | K111 K119 L121 I122 | K111-V117 HydrophobicContact CB-CG1 4.4Å; K111-V117 HydrophobicContact CB-CG2 4.37Å; K111-V117 HydrophobicContact CG-CG1 3.81Å; V117-K119 PolarHBondContact O-N 3.19Å; V117-L121 HydrophobicContact CG1-CB 4.29Å; V117-L121 HydrophobicContact CG1-CD2 3.94Å; V117-L121 HydrophobicContact CG1-CG 4.24Å; V117-I122 HydrophobicContact CB-CD1 4.23Å; V117-I122 HydrophobicContact CB-CG1 4.17Å; V117-I122 HydrophobicContact CG1-CD1 4.17Å; V117-I122 HydrophobicContact CG1-CG1 3.57Å | ||
| 118 | P | 79 | Confident | 80.9 | Confident | 40 Ų | 40 | 58 Ų | 58 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | trans | -58.4 | 136.2 | 178.7 | -24.9 | 34.3 | 0 | 0 | 0 | 111.8 | E116 P120 L121 I122 | E116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-P120 VanDerWaalsContact C-CD 3.41Å; P118-P120 VanDerWaalsContact C-N 3.3Å; P118-L121 HydrophobicContact CB-CB 4.46Å; P118-L121 WeakPolarHBondContact O-CB 3.18Å; P118-L121 PolarHBondContact O-N 2.97Å; P118-I122 PolarHBondContact O-N 2.74Å | ||
| 119 | K | 83.3 | Confident | 81.2 | Confident | 155 Ų | 155 | 59.7 Ų | 59.7 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -50.1 | -42.9 | 177.5 | -177.7 | 179.3 | -179.8 | -180 | 0 | 113.4 | V117 L121 I122 D123 | V117-K119 PolarHBondContact O-N 3.19Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 2.98Å; K119-I122 PolarHBondContact O-N 2.66Å; K119-D123 PolarHBondContact O-N 2.93Å |
| 120 | P | 83 | Confident | 81.7 | Confident | 20 Ų | 20 | 60 Ų | 60 | 13% | 0.13 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -34.4 | 176.7 | -25.5 | 36.5 | 0 | 0 | 0 | 114 | P118 D123 F124 K155 M156 | P118-P120 VanDerWaalsContact C-CD 3.41Å; P118-P120 VanDerWaalsContact C-N 3.3Å; P120-D123 PolarHBondContact O-N 3.32Å; P120-F124 VanDerWaalsContact O-CB 3.26Å; P120-F124 WeakPolarHBondContact O-CB 3.13Å; P120-F124 PolarHBondContact O-N 3.48Å; P120-K155 HydrophobicContact CB-CB 4.04Å; P120-K155 HydrophobicContact CG-CB 4.22Å; P120-M156 HydrophobicContact CB-CG 3.71Å |
| 121 | L | 81.5 | Confident | 82.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.2 | -36 | 177.7 | -177.8 | 63.2 | 0 | 0 | 0 | 111.8 | T107 L110 K111 V117 P118 K119 S125 M156 | T107-L121 HydrophobicContact CG2-CD1 3.86Å; L110-L121 HydrophobicContact CB-CD1 4.19Å; L110-L121 HydrophobicContact CB-CD2 3.7Å; L110-L121 HydrophobicContact CD1-CD1 4.11Å; K111-L121 HydrophobicContact CG-CD2 3.75Å; K111-L121 HydrophobicContact CG-CG 3.89Å; V117-L121 HydrophobicContact CG1-CB 4.29Å; V117-L121 HydrophobicContact CG1-CD2 3.94Å; V117-L121 HydrophobicContact CG1-CG 4.24Å; P118-L121 HydrophobicContact CB-CB 4.46Å; P118-L121 WeakPolarHBondContact O-CB 3.18Å; P118-L121 PolarHBondContact O-N 2.97Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 2.98Å; L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 2.86Å; L121-M156 HydrophobicContact CB-SD 3.88Å; L121-M156 HydrophobicContact CD1-SD 3.59Å; L121-M156 VanDerWaalsContact CD1-SD 3.59Å; L121-M156 HydrophobicContact CG-SD 4.35Å |
| 122 | I | 85.1 | Confident | 82.3 | Confident | 66 Ų | 66 | 59 Ų | 59 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.1 | -60.8 | 174.6 | 0 | 0 | 0 | 110.2 | V117 P118 K119 F124 S125 N126 | V117-I122 HydrophobicContact CB-CD1 4.23Å; V117-I122 HydrophobicContact CB-CG1 4.17Å; V117-I122 HydrophobicContact CG1-CD1 4.17Å; V117-I122 HydrophobicContact CG1-CG1 3.57Å; P118-I122 PolarHBondContact O-N 2.74Å; K119-I122 PolarHBondContact O-N 2.66Å; I122-F124 VanDerWaalsContact C-N 3.34Å; I122-F124 PolarHBondContact O-N 3.14Å; I122-S125 PolarHBondContact O-N 3.34Å; I122-N126 WeakPolarHBondContact O-CB 3.42Å; I122-N126 VanDerWaalsContact O-CG 3.26Å; I122-N126 PolarHBondContact O-N 3.33Å; I122-N126 PolarHBondContact O-ND2 2.94Å |
| 123 | D | 88.1 | Confident | 82.5 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 179.5 | -69.6 | -21.8 | 0 | 0 | 0 | 111.4 | K119 P120 N126 H127 Y152 | K119-D123 PolarHBondContact O-N 2.93Å; P120-D123 PolarHBondContact O-N 3.32Å; D123-N126 PolarHBondContact O-N 2.99Å; D123-H127 WeakPolarHBondContact O-CB 3.25Å; D123-H127 PolarHBondContact O-N 3.36Å; D123-Y152 HydrophobicContact CB-CD1 3.92Å; D123-Y152 HydrophobicContact CB-CE1 3.58Å |
| 124 | F | 88.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.7 | -54.1 | 172.7 | -177.4 | -90.3 | 0 | 0 | 0 | 111.5 | L61 V65 I103 T107 P120 I122 N126 H127 L128 L149 Y152 C153 M156 | L61-F124 HydrophobicContact CD2-CE1 4.25Å; L61-F124 HydrophobicContact CD2-CZ 4.39Å; V65-F124 HydrophobicContact CG2-CE2 3.9Å; V65-F124 HydrophobicContact CG2-CZ 3.86Å; I103-F124 HydrophobicContact CG2-CE1 3.58Å; I103-F124 HydrophobicContact CG2-CZ 3.51Å; T107-F124 HydrophobicContact CG2-CD1 3.95Å; T107-F124 HydrophobicContact CG2-CE1 4.42Å; T107-F124 VanDerWaalsContact OG1-CE1 3.24Å; T107-F124 WeakPolarHBondContact OG1-CE1 3.5Å; P120-F124 VanDerWaalsContact O-CB 3.26Å; P120-F124 WeakPolarHBondContact O-CB 3.13Å; P120-F124 PolarHBondContact O-N 3.48Å; I122-F124 VanDerWaalsContact C-N 3.34Å; I122-F124 PolarHBondContact O-N 3.14Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.01Å; F124-H127 PolarHBondContact O-N 2.79Å; F124-H127 VanDerWaalsContact O-N 3.13Å; F124-L128 HydrophobicContact CE1-CD2 4.06Å; F124-L128 WeakPolarHBondContact O-CB 3.39Å; F124-L128 PolarHBondContact O-N 3.45Å; F124-L149 HydrophobicContact CD2-CD2 3.94Å; F124-L149 HydrophobicContact CE2-CB 3.95Å; F124-L149 HydrophobicContact CE2-CD2 3.74Å; F124-L149 HydrophobicContact CE2-CG 4.37Å; F124-L149 HydrophobicContact CZ-CD2 4.18Å; F124-Y152 HydrophobicContact CB-CG 4.43Å; F124-C153 WeakPolarHBondContact CE2-SG 3.37Å; F124-M156 HydrophobicContact CB-CE 4.13Å; F124-M156 HydrophobicContact CB-SD 4.33Å; F124-M156 HydrophobicContact CD1-CE 4.41Å; F124-M156 HydrophobicContact CD2-CE 3.74Å; F124-M156 HydrophobicContact CE2-CE 4.25Å; F124-M156 HydrophobicContact CG-CE 3.84Å |
| 125 | S | 89 | Confident | 82.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | L121 I122 L128 K129 | L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 2.86Å; I122-S125 PolarHBondContact O-N 3.34Å; S125-L128 PolarHBondContact O-N 2.85Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 2.98Å |
| 126 | N | 90 | Very high | 82.7 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 177.5 | -72.5 | -26 | 0 | 0 | 0 | 111.8 | I122 D123 F124 F130 | I122-N126 WeakPolarHBondContact O-CB 3.42Å; I122-N126 VanDerWaalsContact O-CG 3.26Å; I122-N126 PolarHBondContact O-N 3.33Å; I122-N126 PolarHBondContact O-ND2 2.94Å; D123-N126 PolarHBondContact O-N 2.99Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.01Å; N126-F130 PolarHBondContact O-N 2.77Å; N126-F130 VanDerWaalsContact O-N 3.14Å |
| 127 | H | 88.6 | Confident | 82.2 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.106 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 177.8 | -155.4 | 67.2 | 0 | 0 | 0 | 111.4 | D123 F124 K129 F130 V131 Y145 K148 L149 Y152 | D123-H127 WeakPolarHBondContact O-CB 3.25Å; D123-H127 PolarHBondContact O-N 3.36Å; F124-H127 PolarHBondContact O-N 2.79Å; F124-H127 VanDerWaalsContact O-N 3.13Å; H127-K129 PolarHBondContact O-N 2.85Å; H127-F130 CarbonylContact O-C 3.56Å; H127-F130 WeakPolarHBondContact O-CA 3.45Å; H127-F130 WeakPolarHBondContact O-CB 3.4Å; H127-F130 PolarHBondContact O-N 2.87Å; H127-F130 VanDerWaalsContact O-N 3.08Å; H127-V131 WeakPolarHBondContact O-CG2 3.44Å; H127-V131 PolarHBondContact O-N 3.17Å; H127-Y145 AromaticContact CE1-CD1 3.94Å; H127-Y145 AromaticContact NE2-CD1 3.65Å; H127-K148 VanDerWaalsContact CE1-CD 3.44Å; H127-K148 WeakPolarHBondContact CE1-CD 3.25Å; H127-K148 WeakPolarHBondContact NE2-CB 3.44Å; H127-K148 WeakPolarHBondContact NE2-CD 3.5Å; H127-L149 HydrophobicContact CB-CD2 4.09Å; H127-Y152 HydrophobicContact CB-CD2 4.32Å; H127-Y152 HydrophobicContact CB-CE2 3.71Å; H127-Y152 AromaticContact CG-CE2 3.84Å |
| 128 | L | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 177.5 | -178.2 | 65 | 0 | 0 | 0 | 111.9 | F100 I103 D104 F124 S125 F130 V131 M132 L149 | F100-L128 HydrophobicContact CB-CD1 4.07Å; F100-L128 HydrophobicContact CD1-CD1 3.68Å; F100-L128 HydrophobicContact CE1-CD1 4.4Å; F100-L128 HydrophobicContact CG-CD1 4.03Å; I103-L128 HydrophobicContact CB-CD2 4.15Å; I103-L128 HydrophobicContact CG2-CD1 4.05Å; I103-L128 HydrophobicContact CG2-CD2 3.53Å; I103-L128 HydrophobicContact CG2-CG 4.44Å; D104-L128 VanDerWaalsContact CA-CD2 3.48Å; D104-L128 HydrophobicContact CB-CD2 3.66Å; F124-L128 HydrophobicContact CE1-CD2 4.06Å; F124-L128 WeakPolarHBondContact O-CB 3.39Å; F124-L128 PolarHBondContact O-N 3.45Å; S125-L128 PolarHBondContact O-N 2.85Å; L128-F130 VanDerWaalsContact C-N 3.27Å; L128-F130 PolarHBondContact O-N 3.47Å; L128-V131 WeakPolarHBondContact O-CA 3.39Å; L128-V131 WeakPolarHBondContact O-CB 3.43Å; L128-V131 PolarHBondContact O-N 2.86Å; L128-M132 HydrophobicContact CG-SD 4.24Å; L128-M132 WeakPolarHBondContact O-CG 3.45Å; L128-M132 PolarHBondContact O-N 3.2Å; L128-L149 HydrophobicContact CB-CD2 4.15Å; L128-L149 HydrophobicContact CD1-CD1 4.06Å |
| 129 | K | 88 | Confident | 80.7 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.4 | -73.5 | 179 | -178.6 | -176.9 | 0 | 112.4 | S125 H127 K133 | S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 2.98Å; H127-K129 PolarHBondContact O-N 2.85Å; K129-K133 WeakPolarHBondContact O-CB 3.37Å; K129-K133 PolarHBondContact O-N 3.48Å; K129-K133 VanDerWaalsContact O-N 3.07Å |
| 130 | F | 86.5 | Confident | 79.7 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 173.4 | 176 | -94.9 | 0 | 0 | 0 | 111.9 | N126 H127 L128 K133 T134 Y145 | N126-F130 PolarHBondContact O-N 2.77Å; N126-F130 VanDerWaalsContact O-N 3.14Å; H127-F130 CarbonylContact O-C 3.56Å; H127-F130 WeakPolarHBondContact O-CA 3.45Å; H127-F130 WeakPolarHBondContact O-CB 3.4Å; H127-F130 PolarHBondContact O-N 2.87Å; H127-F130 VanDerWaalsContact O-N 3.08Å; L128-F130 VanDerWaalsContact C-N 3.27Å; L128-F130 PolarHBondContact O-N 3.47Å; F130-K133 PolarHBondContact O-N 3.31Å; F130-T134 HydrophobicContact CD1-CG2 4.35Å; F130-T134 HydrophobicContact CD2-CG2 4.24Å; F130-T134 HydrophobicContact CE1-CG2 3.93Å; F130-T134 HydrophobicContact CE2-CG2 3.81Å; F130-T134 HydrophobicContact CG-CG2 4.49Å; F130-T134 HydrophobicContact CZ-CG2 3.64Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 WeakPolarHBondContact O-CG2 3.36Å; F130-T134 PolarHBondContact O-N 3.01Å; F130-T134 PolarHBondContact O-OG1 3.47Å; F130-Y145 HydrophobicContact CD1-CE1 4.25Å; F130-Y145 HydrophobicContact CE1-CD1 4.22Å; F130-Y145 AromaticContact CE1-CE1 3.53Å; F130-Y145 HydrophobicContact CE1-CE1 3.53Å; F130-Y145 HydrophobicContact CE1-CE2 4.16Å; F130-Y145 AromaticContact CE1-CZ 3.51Å |
| 131 | V | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -53.9 | 174.6 | 180 | 0 | 0 | 0 | 0 | 110.5 | F100 H127 L128 K133 T134 S135 W142 Y145 | F100-V131 HydrophobicContact CD2-CG1 4.06Å; F100-V131 HydrophobicContact CE2-CG1 3.44Å; F100-V131 VanDerWaalsContact CE2-CG1 3.44Å; F100-V131 HydrophobicContact CZ-CG1 3.78Å; H127-V131 WeakPolarHBondContact O-CG2 3.44Å; H127-V131 PolarHBondContact O-N 3.17Å; L128-V131 WeakPolarHBondContact O-CA 3.39Å; L128-V131 WeakPolarHBondContact O-CB 3.43Å; L128-V131 PolarHBondContact O-N 2.86Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.93Å; V131-T134 PolarHBondContact O-N 3.31Å; V131-T134 PolarHBondContact O-OG1 3.3Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.16Å; V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 3.45Å; V131-W142 HydrophobicContact CG1-CB 3.8Å; V131-Y145 HydrophobicContact CG1-CD2 4.42Å; V131-Y145 HydrophobicContact CG2-CD2 4Å; V131-Y145 HydrophobicContact CG2-CG 3.73Å |
| 132 | M | 83.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 59 Ų | 59 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.9 | -40.8 | -179.5 | -66 | 174.8 | 78.6 | 0 | 0 | 112.3 | M97 F100 A101 D104 L128 S136 | M97-M132 HydrophobicContact CE-CB 3.95Å; M97-M132 HydrophobicContact CE-CG 4.18Å; F100-M132 HydrophobicContact CB-CG 3.81Å; F100-M132 HydrophobicContact CB-SD 4.21Å; F100-M132 HydrophobicContact CD2-CG 4.49Å; F100-M132 HydrophobicContact CG-CG 4.44Å; A101-M132 HydrophobicContact CB-CE 4.15Å; D104-M132 HydrophobicContact CB-SD 4.18Å; L128-M132 HydrophobicContact CG-SD 4.24Å; L128-M132 WeakPolarHBondContact O-CG 3.45Å; L128-M132 PolarHBondContact O-N 3.2Å; M132-S136 PolarHBondContact O-N 3.08Å; M132-S136 PolarHBondContact O-OG 2.68Å |
| 133 | K | 83.4 | Confident | 77.8 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.9 | -29.5 | 177.1 | -172.1 | 175.8 | -177.3 | 176.3 | 0 | 113.9 | K129 F130 V131 S136 | K129-K133 WeakPolarHBondContact O-CB 3.37Å; K129-K133 PolarHBondContact O-N 3.48Å; K129-K133 VanDerWaalsContact O-N 3.07Å; F130-K133 PolarHBondContact O-N 3.31Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.93Å; K133-S136 PolarHBondContact O-OG 2.89Å |
| 134 | T | 75.9 | Confident | 76.9 | Confident | 31 Ų | 31 | 61 Ų | 61 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -88.1 | -37.8 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | F130 V131 S136 K137 R138 | F130-T134 HydrophobicContact CD1-CG2 4.35Å; F130-T134 HydrophobicContact CD2-CG2 4.24Å; F130-T134 HydrophobicContact CE1-CG2 3.93Å; F130-T134 HydrophobicContact CE2-CG2 3.81Å; F130-T134 HydrophobicContact CG-CG2 4.49Å; F130-T134 HydrophobicContact CZ-CG2 3.64Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 WeakPolarHBondContact O-CG2 3.36Å; F130-T134 PolarHBondContact O-N 3.01Å; F130-T134 PolarHBondContact O-OG1 3.47Å; V131-T134 PolarHBondContact O-N 3.31Å; V131-T134 PolarHBondContact O-OG1 3.3Å; T134-S136 VanDerWaalsContact C-N 3.35Å; T134-S136 PolarHBondContact O-N 2.92Å; T134-K137 PolarHBondContact O-N 3.15Å; T134-R138 PolarHBondContact O-N 3.3Å |
| 135 | S | 70.2 | Confident | 76.3 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | M97 V131 K137 R138 W142 | M97-S135 VanDerWaalsContact SD-CB 3.56Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.16Å; V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 3.45Å; S135-K137 PolarHBondContact O-N 3.01Å; S135-R138 CarbonylContact O-C 3.55Å; S135-R138 PolarHBondContact O-N 3.05Å; S135-W142 WeakPolarHBondContact OG-CB 3.21Å |
| 136 | S | 65.6 | Low | 75.7 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 57% | 0.573 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | M132 K133 T134 | M132-S136 PolarHBondContact O-N 3.08Å; M132-S136 PolarHBondContact O-OG 2.68Å; K133-S136 PolarHBondContact O-OG 2.89Å; T134-S136 VanDerWaalsContact C-N 3.35Å; T134-S136 PolarHBondContact O-N 2.92Å |
| 137 | K | 67.4 | Low | 75.1 | Confident | 167 Ų | 167 | 61.6 Ų | 61.6 | 73% | 0.726 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -24 | -179.3 | -62.7 | -174 | 180 | -171.4 | 0 | 114.2 | T134 S135 | T134-K137 PolarHBondContact O-N 3.15Å; S135-K137 PolarHBondContact O-N 3.01Å |
| 138 | R | 62.5 | Low | 74.8 | Confident | 172 Ų | 172 | 65.5 Ų | 65.5 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -132.9 | 105.5 | -179 | -68.1 | -173.2 | -178.6 | 178.4 | 2.7 | 108.6 | T134 S135 F140 G141 | T134-R138 PolarHBondContact O-N 3.3Å; S135-R138 CarbonylContact O-C 3.55Å; S135-R138 PolarHBondContact O-N 3.05Å; R138-F140 PolarHBondContact O-N 3.49Å; R138-F140 VanDerWaalsContact O-N 3.09Å; R138-G141 PolarHBondContact O-N 2.92Å; R138-G141 VanDerWaalsContact O-N 3.15Å |
| 139 | M | 61.2 | Low | 74.5 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 119.3 | 168.3 | -67.9 | -177.2 | 162.9 | 0 | 0 | 107.4 | V89 R90 | V89-M139 HydrophobicContact CG1-CB 4.25Å; V89-M139 HydrophobicContact CG1-CG 4.31Å; V89-M139 HydrophobicContact CG1-SD 3.5Å; V89-M139 VanDerWaalsContact CG1-SD 3.5Å; R90-M139 HydrophobicContact CB-CE 4.45Å |
| 140 | F | 62.9 | Low | 74.1 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5 | 179.6 | -44.6 | -61.2 | 0 | 0 | 0 | 119.2 | L79 V89 V92 R138 W142 | L79-F140 HydrophobicContact CB-CE1 4.41Å; L79-F140 HydrophobicContact CB-CE2 4.28Å; L79-F140 HydrophobicContact CB-CZ 4.04Å; L79-F140 HydrophobicContact CD1-CD1 3.62Å; L79-F140 HydrophobicContact CD1-CE1 3.15Å; L79-F140 HydrophobicContact CD1-CE2 4.43Å; L79-F140 HydrophobicContact CD1-CG 4.45Å; L79-F140 HydrophobicContact CD1-CZ 3.59Å; L79-F140 HydrophobicContact CD2-CE1 4.04Å; L79-F140 HydrophobicContact CD2-CZ 3.72Å; L79-F140 HydrophobicContact CG-CE1 4.05Å; L79-F140 HydrophobicContact CG-CZ 3.97Å; V89-F140 HydrophobicContact CB-CE2 4.17Å; V89-F140 HydrophobicContact CB-CZ 3.66Å; V89-F140 HydrophobicContact CG1-CE1 4.37Å; V89-F140 HydrophobicContact CG1-CE2 3.46Å; V89-F140 VanDerWaalsContact CG1-CE2 3.46Å; V89-F140 HydrophobicContact CG1-CZ 3.23Å; V89-F140 HydrophobicContact CG2-CE2 3.89Å; V89-F140 HydrophobicContact CG2-CZ 3.59Å; V92-F140 HydrophobicContact CG1-CE1 4.49Å; R138-F140 PolarHBondContact O-N 3.49Å; R138-F140 VanDerWaalsContact O-N 3.09Å; F140-W142 HydrophobicContact CD1-CZ2 4.08Å; F140-W142 HydrophobicContact CE1-CZ2 4.5Å; F140-W142 PolarHBondContact O-N 3.04Å; F140-W142 VanDerWaalsContact O-N 3.08Å |
| 141 | G | 65.7 | Low | 73.8 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R138 Y145 | R138-G141 PolarHBondContact O-N 2.92Å; R138-G141 VanDerWaalsContact O-N 3.15Å; G141-Y145 WeakPolarHBondContact O-CD2 3.42Å; G141-Y145 WeakPolarHBondContact O-CE2 3.36Å |
| 142 | W | 72.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -23.3 | -172.9 | 45.8 | -93.3 | 0 | 0 | 0 | 116 | T68 A72 V92 V96 F100 V131 S135 F140 D144 Y145 C146 | T68-W142 HydrophobicContact CG2-CZ3 4.36Å; A72-W142 HydrophobicContact CB-CE3 4.02Å; A72-W142 HydrophobicContact CB-CH2 3.58Å; A72-W142 HydrophobicContact CB-CZ3 3.11Å; V92-W142 HydrophobicContact CG1-CZ2 4.41Å; V96-W142 HydrophobicContact CB-CZ2 4.43Å; V96-W142 HydrophobicContact CG1-CD2 3.82Å; V96-W142 HydrophobicContact CG1-CE3 3.92Å; V96-W142 HydrophobicContact CG1-CG 4.2Å; V96-W142 HydrophobicContact CG1-CH2 4.4Å; V96-W142 HydrophobicContact CG1-CZ2 4.34Å; V96-W142 HydrophobicContact CG1-CZ3 4.13Å; V96-W142 HydrophobicContact CG2-CH2 3.59Å; V96-W142 HydrophobicContact CG2-CZ2 3.77Å; V96-W142 HydrophobicContact CG2-CZ3 3.93Å; F100-W142 HydrophobicContact CE2-CB 3.92Å; F100-W142 HydrophobicContact CE2-CG 4.4Å; F100-W142 HydrophobicContact CZ-CB 4.22Å; V131-W142 HydrophobicContact CG1-CB 3.8Å; S135-W142 WeakPolarHBondContact OG-CB 3.21Å; F140-W142 HydrophobicContact CD1-CZ2 4.08Å; F140-W142 HydrophobicContact CE1-CZ2 4.5Å; F140-W142 PolarHBondContact O-N 3.04Å; F140-W142 VanDerWaalsContact O-N 3.08Å; W142-D144 VanDerWaalsContact C-N 3.32Å; W142-D144 PolarHBondContact O-N 3.09Å; W142-Y145 CarbonylContact O-C 3.33Å; W142-Y145 WeakPolarHBondContact O-CA 3.49Å; W142-Y145 PolarHBondContact O-N 3.11Å; W142-C146 PolarHBondContact O-N 3.18Å; W142-C146 PolarHBondContact O-SG 3.43Å; W142-C146 VanDerWaalsContact O-SG 3.41Å |
| 143 | I | 70.4 | Confident | 73.3 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | -175 | -51.6 | -167.2 | 0 | 0 | 0 | 110.7 | A72 Y145 C146 | A72-I143 HydrophobicContact CB-CB 4.39Å; A72-I143 HydrophobicContact CB-CD1 4.2Å; A72-I143 HydrophobicContact CB-CG1 3.98Å; A72-I143 HydrophobicContact CB-CG2 4.01Å; I143-Y145 PolarHBondContact O-N 3.41Å; I143-C146 PolarHBondContact O-N 3.24Å |
| 144 | D | 69.4 | Low | 72.8 | Confident | 128 Ų | 128 | 60.8 Ų | 60.8 | 68% | 0.684 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.9 | -24.4 | 178 | -67.2 | -29.9 | 0 | 0 | 0 | 112.9 | W142 | W142-D144 VanDerWaalsContact C-N 3.32Å; W142-D144 PolarHBondContact O-N 3.09Å |
| 145 | Y | 78 | Confident | 72.9 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 21% | 0.212 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -88.2 | -27.3 | 179.9 | -57.9 | -56.6 | 0 | 0 | 0 | 113.2 | H127 F130 V131 G141 W142 I143 C147 K148 L149 | H127-Y145 AromaticContact CE1-CD1 3.94Å; H127-Y145 AromaticContact NE2-CD1 3.65Å; F130-Y145 HydrophobicContact CD1-CE1 4.25Å; F130-Y145 HydrophobicContact CE1-CD1 4.22Å; F130-Y145 AromaticContact CE1-CE1 3.53Å; F130-Y145 HydrophobicContact CE1-CE1 3.53Å; F130-Y145 HydrophobicContact CE1-CE2 4.16Å; F130-Y145 AromaticContact CE1-CZ 3.51Å; V131-Y145 HydrophobicContact CG1-CD2 4.42Å; V131-Y145 HydrophobicContact CG2-CD2 4Å; V131-Y145 HydrophobicContact CG2-CG 3.73Å; G141-Y145 WeakPolarHBondContact O-CD2 3.42Å; G141-Y145 WeakPolarHBondContact O-CE2 3.36Å; W142-Y145 CarbonylContact O-C 3.33Å; W142-Y145 WeakPolarHBondContact O-CA 3.49Å; W142-Y145 PolarHBondContact O-N 3.11Å; I143-Y145 PolarHBondContact O-N 3.41Å; Y145-C147 VanDerWaalsContact C-N 3.25Å; Y145-C147 PolarHBondContact O-N 3.05Å; Y145-K148 WeakPolarHBondContact O-CB 3.39Å; Y145-K148 PolarHBondContact O-N 3.06Å; Y145-L149 PolarHBondContact O-N 3.14Å |
| 146 | C | 75.9 | Confident | 73 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 174.6 | -69.1 | 0 | 0 | 0 | 0 | 112 | Y69 W142 I143 K148 L149 R150 | Y69-C146 HydrophobicContact CD2-CB 4.01Å; W142-C146 PolarHBondContact O-N 3.18Å; W142-C146 PolarHBondContact O-SG 3.43Å; W142-C146 VanDerWaalsContact O-SG 3.41Å; I143-C146 PolarHBondContact O-N 3.24Å; C146-K148 PolarHBondContact O-N 3.06Å; C146-L149 PolarHBondContact O-N 3.36Å; C146-R150 PolarHBondContact O-N 2.96Å |
| 147 | C | 76.4 | Confident | 73 | Confident | 52 Ų | 52 | 63 Ų | 63 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | 173.2 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | Y69 Y145 N151 | Y69-C147 WeakPolarHBondContact CE2-SG 2.89Å; Y145-C147 VanDerWaalsContact C-N 3.25Å; Y145-C147 PolarHBondContact O-N 3.05Å; C147-N151 PolarHBondContact O-N 3.34Å |
| 148 | K | 81.8 | Confident | 72.9 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.4 | -40.1 | 178.9 | -71.2 | -179.4 | 177.5 | 179.7 | 0 | 111.6 | H127 Y145 C146 R150 N151 Y152 | H127-K148 VanDerWaalsContact CE1-CD 3.44Å; H127-K148 WeakPolarHBondContact CE1-CD 3.25Å; H127-K148 WeakPolarHBondContact NE2-CB 3.44Å; H127-K148 WeakPolarHBondContact NE2-CD 3.5Å; Y145-K148 WeakPolarHBondContact O-CB 3.39Å; Y145-K148 PolarHBondContact O-N 3.06Å; C146-K148 PolarHBondContact O-N 3.06Å; K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.13Å; K148-N151 PolarHBondContact O-N 3.32Å; K148-Y152 HydrophobicContact CB-CE2 4.39Å; K148-Y152 WeakPolarHBondContact O-CD2 3.25Å; K148-Y152 PolarHBondContact O-N 3.48Å |
| 149 | L | 83 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 173.7 | -68.7 | 177.7 | 0 | 0 | 0 | 111.2 | V65 F100 F124 H127 L128 Y145 C146 N151 Y152 C153 | V65-L149 HydrophobicContact CG1-CB 3.64Å; V65-L149 HydrophobicContact CG2-CB 4.16Å; F100-L149 HydrophobicContact CE1-CD1 3.95Å; F124-L149 HydrophobicContact CD2-CD2 3.94Å; F124-L149 HydrophobicContact CE2-CB 3.95Å; F124-L149 HydrophobicContact CE2-CD2 3.74Å; F124-L149 HydrophobicContact CE2-CG 4.37Å; F124-L149 HydrophobicContact CZ-CD2 4.18Å; H127-L149 HydrophobicContact CB-CD2 4.09Å; L128-L149 HydrophobicContact CB-CD2 4.15Å; L128-L149 HydrophobicContact CD1-CD1 4.06Å; Y145-L149 PolarHBondContact O-N 3.14Å; C146-L149 PolarHBondContact O-N 3.36Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 2.82Å; L149-Y152 WeakPolarHBondContact O-CB 3.45Å; L149-Y152 PolarHBondContact O-N 2.86Å; L149-Y152 VanDerWaalsContact O-N 3.07Å; L149-C153 PolarHBondContact O-N 3.01Å |
| 150 | R | 79.5 | Confident | 72.5 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 176.7 | -177 | -174.8 | 170.5 | 157.9 | -3.9 | 112.1 | V65 E66 C146 K148 Y152 C153 S154 | V65-R150 HydrophobicContact CG1-CB 4.06Å; E66-R150 VanDerWaalsContact CD-NH1 3.34Å; E66-R150 IonicContact OE1-NH1 2.73Å; E66-R150 PolarHBondContact OE1-NH1 2.93Å; E66-R150 VanDerWaalsContact OE2-CD 3.27Å; E66-R150 WeakPolarHBondContact OE2-CD 3.42Å; E66-R150 IonicContact OE2-CZ 2.66Å; E66-R150 IonicContact OE2-NE 3.11Å; E66-R150 PolarHBondContact OE2-NE 3.29Å; E66-R150 IonicContact OE2-NH1 2.73Å; E66-R150 PolarHBondContact OE2-NH1 3.23Å; C146-R150 PolarHBondContact O-N 2.96Å; K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.13Å; R150-Y152 PolarHBondContact O-N 3.42Å; R150-C153 PolarHBondContact O-N 2.99Å; R150-C153 VanDerWaalsContact O-N 3.11Å; R150-S154 PolarHBondContact O-N 3.41Å; R150-S154 PolarHBondContact O-OG 3.33Å |
| 151 | N | 80.6 | Confident | 71.5 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -33.2 | 178.4 | -69.9 | -17.2 | 0 | 0 | 0 | 112.9 | C147 K148 L149 K155 | C147-N151 PolarHBondContact O-N 3.34Å; K148-N151 PolarHBondContact O-N 3.32Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 2.82Å; N151-K155 WeakPolarHBondContact O-CG 3.42Å; N151-K155 PolarHBondContact O-N 3.01Å |
| 152 | Y | 81.9 | Confident | 70 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.9 | -39.1 | 174.7 | -65.1 | -58 | 0 | 0 | 0 | 111.7 | D123 F124 H127 K148 L149 R150 S154 K155 M156 | D123-Y152 HydrophobicContact CB-CD1 3.92Å; D123-Y152 HydrophobicContact CB-CE1 3.58Å; F124-Y152 HydrophobicContact CB-CG 4.43Å; H127-Y152 HydrophobicContact CB-CD2 4.32Å; H127-Y152 HydrophobicContact CB-CE2 3.71Å; H127-Y152 AromaticContact CG-CE2 3.84Å; K148-Y152 HydrophobicContact CB-CE2 4.39Å; K148-Y152 WeakPolarHBondContact O-CD2 3.25Å; K148-Y152 PolarHBondContact O-N 3.48Å; L149-Y152 WeakPolarHBondContact O-CB 3.45Å; L149-Y152 PolarHBondContact O-N 2.86Å; L149-Y152 VanDerWaalsContact O-N 3.07Å; R150-Y152 PolarHBondContact O-N 3.42Å; Y152-S154 PolarHBondContact O-N 3.04Å; Y152-K155 CarbonylContact O-C 3.44Å; Y152-K155 WeakPolarHBondContact O-CB 3.21Å; Y152-K155 PolarHBondContact O-N 2.96Å; Y152-K155 VanDerWaalsContact O-N 3.16Å; Y152-M156 WeakPolarHBondContact O-CG 3.47Å; Y152-M156 PolarHBondContact O-N 2.82Å |
| 153 | C | 75.9 | Confident | 68.1 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 173.3 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | D62 F124 L149 R150 K155 M156 L157 | D62-C153 HydrophobicContact CB-CB 3.88Å; D62-C153 WeakPolarHBondContact OD1-CB 3.01Å; F124-C153 WeakPolarHBondContact CE2-SG 3.37Å; L149-C153 PolarHBondContact O-N 3.01Å; R150-C153 PolarHBondContact O-N 2.99Å; R150-C153 VanDerWaalsContact O-N 3.11Å; C153-K155 VanDerWaalsContact C-N 3.3Å; C153-K155 PolarHBondContact O-N 3.16Å; C153-M156 HydrophobicContact CB-CE 4.26Å; C153-M156 PolarHBondContact O-N 2.98Å; C153-M156 VanDerWaalsContact O-N 3.08Å; C153-L157 WeakPolarHBondContact O-CG 3.47Å; C153-L157 PolarHBondContact O-N 2.91Å |
| 154 | S | 72.7 | Confident | 66.3 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 174.1 | -52 | 0 | 0 | 0 | 0 | 111.9 | R150 Y152 L157 H158 | R150-S154 PolarHBondContact O-N 3.41Å; R150-S154 PolarHBondContact O-OG 3.33Å; Y152-S154 PolarHBondContact O-N 3.04Å; S154-L157 PolarHBondContact O-N 3.27Å; S154-H158 PolarHBondContact O-CD2 2.91Å; S154-H158 PolarHBondContact O-N 2.9Å; S154-H158 VanDerWaalsContact O-N 3.15Å |
| 155 | K | 77.2 | Confident | 64.3 | Low | 115 Ų | 115 | 64.4 Ų | 64.4 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 174.4 | -72.2 | 175.2 | -178.8 | -176.3 | 0 | 113 | P120 N151 Y152 C153 H158 C159 | P120-K155 HydrophobicContact CB-CB 4.04Å; P120-K155 HydrophobicContact CG-CB 4.22Å; N151-K155 WeakPolarHBondContact O-CG 3.42Å; N151-K155 PolarHBondContact O-N 3.01Å; Y152-K155 CarbonylContact O-C 3.44Å; Y152-K155 WeakPolarHBondContact O-CB 3.21Å; Y152-K155 PolarHBondContact O-N 2.96Å; Y152-K155 VanDerWaalsContact O-N 3.16Å; C153-K155 VanDerWaalsContact C-N 3.3Å; C153-K155 PolarHBondContact O-N 3.16Å; K155-H158 PolarHBondContact O-N 3.36Å; K155-C159 PolarHBondContact O-N 2.91Å; K155-C159 PolarHBondContact O-SG 3.3Å |
| 156 | M | 72.7 | Confident | 61.9 | Low | 7 Ų | 7 | 67.5 Ų | 67.5 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176 | -72 | -174.9 | -65.5 | 0 | 0 | 111.2 | V58 L61 P120 L121 F124 Y152 C153 H158 C159 T160 | V58-M156 HydrophobicContact CG1-CB 3.71Å; L61-M156 HydrophobicContact CD1-CE 4.25Å; P120-M156 HydrophobicContact CB-CG 3.71Å; L121-M156 HydrophobicContact CB-SD 3.88Å; L121-M156 HydrophobicContact CD1-SD 3.59Å; L121-M156 VanDerWaalsContact CD1-SD 3.59Å; L121-M156 HydrophobicContact CG-SD 4.35Å; F124-M156 HydrophobicContact CB-CE 4.13Å; F124-M156 HydrophobicContact CB-SD 4.33Å; F124-M156 HydrophobicContact CD1-CE 4.41Å; F124-M156 HydrophobicContact CD2-CE 3.74Å; F124-M156 HydrophobicContact CE2-CE 4.25Å; F124-M156 HydrophobicContact CG-CE 3.84Å; Y152-M156 WeakPolarHBondContact O-CG 3.47Å; Y152-M156 PolarHBondContact O-N 2.82Å; C153-M156 HydrophobicContact CB-CE 4.26Å; C153-M156 PolarHBondContact O-N 2.98Å; C153-M156 VanDerWaalsContact O-N 3.08Å; M156-H158 PolarHBondContact O-N 2.79Å; M156-C159 CarbonylContact O-C 3.59Å; M156-C159 WeakPolarHBondContact O-CA 3.27Å; M156-C159 WeakPolarHBondContact O-CB 3.49Å; M156-C159 PolarHBondContact O-N 2.69Å; M156-T160 PolarHBondContact O-N 3.2Å; M156-T160 PolarHBondContact O-OG1 3.33Å; M156-T160 VanDerWaalsContact O-OG1 3.1Å |
| 157 | L | 65.8 | Low | 59.8 | Low | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.199 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 175.5 | -75.6 | 165.1 | 0 | 0 | 0 | 112.5 | V58 I59 D62 C153 S154 C159 T160 N161 | V58-L157 HydrophobicContact CG1-CD2 3.89Å; V58-L157 HydrophobicContact CG1-CG 3.92Å; I59-L157 HydrophobicContact CG1-CD2 3.88Å; D62-L157 HydrophobicContact CB-CD1 4.05Å; C153-L157 WeakPolarHBondContact O-CG 3.47Å; C153-L157 PolarHBondContact O-N 2.91Å; S154-L157 PolarHBondContact O-N 3.27Å; L157-C159 VanDerWaalsContact C-N 3.34Å; L157-T160 WeakPolarHBondContact CA-OG1 3.45Å; L157-T160 PolarHBondContact O-OG1 3.3Å; L157-N161 PolarHBondContact O-N 2.91Å; L157-N161 PolarHBondContact O-ND2 3.28Å |
| 158 | H | 64.3 | Low | 57.5 | Low | 113 Ų | 113 | 74.7 Ų | 74.7 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.8 | -23.8 | 172.5 | -76.7 | -64.3 | 0 | 0 | 0 | 113.9 | S154 K155 M156 F173 | S154-H158 PolarHBondContact O-CD2 2.91Å; S154-H158 PolarHBondContact O-N 2.9Å; S154-H158 VanDerWaalsContact O-N 3.15Å; K155-H158 PolarHBondContact O-N 3.36Å; M156-H158 PolarHBondContact O-N 2.79Å; H158-F173 AromaticContact CE1-CD1 3.79Å |
| 159 | C | 61.8 | Low | 55.3 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 47% | 0.473 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -88.6 | -27.6 | 176.5 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | K155 M156 L157 | K155-C159 PolarHBondContact O-N 2.91Å; K155-C159 PolarHBondContact O-SG 3.3Å; M156-C159 CarbonylContact O-C 3.59Å; M156-C159 WeakPolarHBondContact O-CA 3.27Å; M156-C159 WeakPolarHBondContact O-CB 3.49Å; M156-C159 PolarHBondContact O-N 2.69Å; L157-C159 VanDerWaalsContact C-N 3.34Å |
| 160 | T | 54.5 | Low | 53.3 | Low | 17 Ų | 17 | 81.1 Ų | 81.1 | 10% | 0.104 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -80.5 | -38.6 | 179.3 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | H54 D55 V58 M156 L157 F162 | H54-T160 VanDerWaalsContact CE1-CG2 3.43Å; H54-T160 WeakPolarHBondContact CE1-CG2 2.91Å; H54-T160 VanDerWaalsContact ND1-CG2 3.31Å; H54-T160 WeakPolarHBondContact ND1-CG2 3.36Å; D55-T160 VanDerWaalsContact OD1-CB 3.25Å; D55-T160 WeakPolarHBondContact OD1-CB 3.45Å; V58-T160 HydrophobicContact CB-CG2 4.25Å; V58-T160 HydrophobicContact CG1-CG2 4.39Å; V58-T160 HydrophobicContact CG2-CG2 3.83Å; M156-T160 PolarHBondContact O-N 3.2Å; M156-T160 PolarHBondContact O-OG1 3.33Å; M156-T160 VanDerWaalsContact O-OG1 3.1Å; L157-T160 WeakPolarHBondContact CA-OG1 3.45Å; L157-T160 PolarHBondContact O-OG1 3.3Å; T160-F162 PolarHBondContact O-N 2.93Å |
| 161 | N | 42.2 | Very low | 51.3 | Low | 66 Ų | 66 | 83 Ų | 83 | 35% | 0.353 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 118.3 | 169.5 | -68.4 | -46.1 | 0 | 0 | 0 | 108.7 | L157 | L157-N161 PolarHBondContact O-N 2.91Å; L157-N161 PolarHBondContact O-ND2 3.28Å |
| 162 | F | 34.2 | Very low | 49.2 | Very low | 79 Ų | 79 | 82 Ų | 82 | 35% | 0.346 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.4 | 25.8 | 165.8 | -53.5 | -53.4 | 0 | 0 | 0 | 120.2 | T160 N164 T165 L167 F173 | T160-F162 PolarHBondContact O-N 2.93Å; F162-N164 VanDerWaalsContact C-N 3.34Å; F162-T165 WeakPolarHBondContact CD1-O 3.47Å; F162-L167 HydrophobicContact CD1-CB 4.1Å; F162-L167 HydrophobicContact CE1-CB 3.43Å; F162-L167 VanDerWaalsContact CE1-CB 3.43Å; F162-L167 HydrophobicContact CE1-CD1 3.36Å; F162-L167 HydrophobicContact CE1-CG 3.96Å; F162-L167 HydrophobicContact CE2-CB 4.33Å; F162-L167 HydrophobicContact CZ-CB 3.51Å; F162-L167 HydrophobicContact CZ-CD1 3.62Å; F162-L167 HydrophobicContact CZ-CG 4.13Å; F162-F173 AromaticContact CE2-CD2 3.58Å; F162-F173 HydrophobicContact CE2-CD2 3.58Å; F162-F173 AromaticContact CE2-CE2 3.34Å; F162-F173 HydrophobicContact CE2-CE2 3.34Å; F162-F173 HydrophobicContact CE2-CZ 4.22Å; F162-F173 AromaticContact CZ-CD2 3.74Å; F162-F173 HydrophobicContact CZ-CD2 3.74Å; F162-F173 AromaticContact CZ-CE2 3.42Å; F162-F173 HydrophobicContact CZ-CE2 3.42Å; F162-F173 VanDerWaalsContact CZ-CE2 3.42Å |
| 163 | T | 32.9 | Very low | 46.9 | Very low | 122 Ų | 122 | 82 Ų | 82 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -80.3 | -13.6 | 155.3 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 164 | N | 31.1 | Very low | 45 | Very low | 154 Ų | 154 | 89 Ų | 89 | 82% | 0.824 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -125.9 | 0.1 | -174.4 | -82.1 | -18 | 0 | 0 | 0 | 117.7 | F162 | F162-N164 VanDerWaalsContact C-N 3.34Š|
| 165 | T | 28.8 | Very low | 43.5 | Very low | 79 Ų | 79 | 92.7 Ų | 92.7 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -146.7 | 125.8 | 173 | 35.5 | 0 | 0 | 0 | 0 | 111.9 | F162 L167 | F162-T165 WeakPolarHBondContact CD1-O 3.47Å; T165-L167 PolarHBondContact O-N 3.1Å |
| 166 | S | 25.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 91.7 Ų | 91.7 | 83% | 0.832 | 50% | 0.497 | S | S | * | . | trans | -64.7 | 89.6 | 173.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 167 | L | 32.2 | Very low | 39.7 | Very low | 96 Ų | 96 | 96.4 Ų | 96.4 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | trans | -101.3 | 85.3 | 161.8 | -98.5 | 144 | 0 | 0 | 0 | 107.4 | F162 T165 S169 | F162-L167 HydrophobicContact CD1-CB 4.1Å; F162-L167 HydrophobicContact CE1-CB 3.43Å; F162-L167 VanDerWaalsContact CE1-CB 3.43Å; F162-L167 HydrophobicContact CE1-CD1 3.36Å; F162-L167 HydrophobicContact CE1-CG 3.96Å; F162-L167 HydrophobicContact CE2-CB 4.33Å; F162-L167 HydrophobicContact CZ-CB 3.51Å; F162-L167 HydrophobicContact CZ-CD1 3.62Å; F162-L167 HydrophobicContact CZ-CG 4.13Å; T165-L167 PolarHBondContact O-N 3.1Å; L167-S169 PolarHBondContact O-N 3.13Å; L167-S169 VanDerWaalsContact O-N 3.12Å | ||
| 168 | S | 28.3 | Very low | 38.2 | Very low | 108 Ų | 108 | 98.8 Ų | 98.8 | 76% | 0.755 | 53% | 0.527 | S | S | * | . | trans | -74.4 | 83.2 | 174.6 | 54 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | S | 37 | Very low | 36.7 | Very low | 52 Ų | 52 | 96.6 Ų | 96.6 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | trans | 170.4 | 138 | 141.9 | 71.2 | 0 | 0 | 0 | 0 | 110.1 | L167 E171 D172 | L167-S169 PolarHBondContact O-N 3.13Å; L167-S169 VanDerWaalsContact O-N 3.12Å; S169-E171 PolarHBondContact O-N 3.17Å; S169-D172 PolarHBondContact OG-N 2.81Å; S169-D172 PolarHBondContact OG-OD2 3.33Å | ||
| 170 | E | 39.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 100.3 Ų | 100.3 | 87% | 0.869 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.8 | -23.8 | 168.7 | -81.8 | 176 | 138.3 | 0 | 0 | 112.2 | ||
| 171 | E | 37.9 | Very low | 34.4 | Very low | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.2 | -25.8 | -173.9 | -69.7 | -169.6 | 170.4 | 0 | 0 | 114.7 | S169 K175 | S169-E171 PolarHBondContact O-N 3.17Å; E171-K175 WeakPolarHBondContact O-CD 3.44Å; E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 3.39Å; E171-K175 IonicContact OE2-NZ 3.84Å |
| 172 | D | 35.7 | Very low | 33.8 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 40% | 0.401 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -80.2 | -27.9 | -178.4 | -70.6 | -35.5 | 0 | 0 | 0 | 112.1 | S169 V176 | S169-D172 PolarHBondContact OG-N 2.81Å; S169-D172 PolarHBondContact OG-OD2 3.33Å; D172-V176 VanDerWaalsContact O-CG2 3.23Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.19Å |
| 173 | F | 34.1 | Very low | 33.5 | Very low | 50 Ų | 50 | 106.8 Ų | 106.8 | 22% | 0.219 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -77 | -39.1 | 179.7 | -139.9 | -93.2 | 0 | 0 | 0 | 112.4 | H158 F162 K175 V176 F177 | H158-F173 AromaticContact CE1-CD1 3.79Å; F162-F173 AromaticContact CE2-CD2 3.58Å; F162-F173 HydrophobicContact CE2-CD2 3.58Å; F162-F173 AromaticContact CE2-CE2 3.34Å; F162-F173 HydrophobicContact CE2-CE2 3.34Å; F162-F173 HydrophobicContact CE2-CZ 4.22Å; F162-F173 AromaticContact CZ-CD2 3.74Å; F162-F173 HydrophobicContact CZ-CD2 3.74Å; F162-F173 AromaticContact CZ-CE2 3.42Å; F162-F173 HydrophobicContact CZ-CE2 3.42Å; F162-F173 VanDerWaalsContact CZ-CE2 3.42Å; F173-K175 VanDerWaalsContact C-N 3.33Å; F173-K175 PolarHBondContact O-N 3.1Å; F173-V176 PolarHBondContact O-N 3.09Å; F173-F177 AromaticContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CE2 4.29Å; F173-F177 AromaticContact CE1-CD2 3.8Å; F173-F177 HydrophobicContact CE1-CD2 3.8Å; F173-F177 AromaticContact CE1-CE2 3.69Å; F173-F177 HydrophobicContact CE1-CE2 3.69Å; F173-F177 HydrophobicContact CZ-CD2 4.37Å; F173-F177 AromaticContact CZ-CE2 3.85Å; F173-F177 HydrophobicContact CZ-CE2 3.85Å; F173-F177 PolarHBondContact O-N 3.49Å |
| 174 | E | 37 | Very low | 33.2 | Very low | 146 Ų | 146 | 104.7 Ų | 104.7 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.4 | -37.9 | 172.3 | -86.3 | -169.2 | 154.8 | 0 | 0 | 111.6 | F177 E178 | E174-F177 PolarHBondContact O-N 3.37Å; E174-E178 WeakPolarHBondContact O-CA 3.5Å; E174-E178 WeakPolarHBondContact O-CB 3.47Å; E174-E178 VanDerWaalsContact O-CG 3.29Å; E174-E178 WeakPolarHBondContact O-CG 3.38Å; E174-E178 PolarHBondContact O-N 3.31Å |
| 175 | K | 39.3 | Very low | 33 | Very low | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -33.2 | 178.4 | -74.5 | 171.9 | -171.2 | 156.7 | 0 | 113.8 | E171 F173 | E171-K175 WeakPolarHBondContact O-CD 3.44Å; E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 3.39Å; E171-K175 IonicContact OE2-NZ 3.84Å; F173-K175 VanDerWaalsContact C-N 3.33Å; F173-K175 PolarHBondContact O-N 3.1Å |
| 176 | V | 36.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.4 | -32.5 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111.6 | D172 F173 | D172-V176 VanDerWaalsContact O-CG2 3.23Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.19Å; F173-V176 PolarHBondContact O-N 3.09Å |
| 177 | F | 35.5 | Very low | 33 | Very low | 107 Ų | 107 | 100.9 Ų | 100.9 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -105.6 | -7.6 | -178 | -75.7 | -83.8 | 0 | 0 | 0 | 115.4 | F173 E174 P179 Y180 S181 | F173-F177 AromaticContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CE2 4.29Å; F173-F177 AromaticContact CE1-CD2 3.8Å; F173-F177 HydrophobicContact CE1-CD2 3.8Å; F173-F177 AromaticContact CE1-CE2 3.69Å; F173-F177 HydrophobicContact CE1-CE2 3.69Å; F173-F177 HydrophobicContact CZ-CD2 4.37Å; F173-F177 AromaticContact CZ-CE2 3.85Å; F173-F177 HydrophobicContact CZ-CE2 3.85Å; F173-F177 PolarHBondContact O-N 3.49Å; E174-F177 PolarHBondContact O-N 3.37Å; F177-P179 VanDerWaalsContact C-N 3.32Å; F177-Y180 HydrophobicContact CD1-CD2 4.31Å; F177-Y180 PolarHBondContact O-N 3.06Å; F177-S181 PolarHBondContact O-N 3.26Å; F177-S181 VanDerWaalsContact O-N 3.16Å |
| 178 | E | 33.8 | Very low | 32.7 | Very low | 88 Ų | 88 | 100.7 Ų | 100.7 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -54.9 | -34.1 | 172.2 | -106.6 | -157.7 | 126.7 | 0 | 0 | 114.8 | E174 Y180 S181 K182 | E174-E178 WeakPolarHBondContact O-CA 3.5Å; E174-E178 WeakPolarHBondContact O-CB 3.47Å; E174-E178 VanDerWaalsContact O-CG 3.29Å; E174-E178 WeakPolarHBondContact O-CG 3.38Å; E174-E178 PolarHBondContact O-N 3.31Å; E178-Y180 VanDerWaalsContact C-N 3.26Å; E178-Y180 PolarHBondContact O-N 3.18Å; E178-S181 PolarHBondContact O-OG 2.93Å; E178-K182 IonicContact OE1-NZ 3.95Å; E178-K182 PolarHBondContact OE1-NZ 3.21Å |
| 179 | P | 33.2 | Very low | 32.7 | Very low | 66 Ų | 66 | 98 Ų | 98 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 173.5 | -18.4 | 30.8 | 0 | 0 | 0 | 111.7 | F177 I183 | F177-P179 VanDerWaalsContact C-N 3.32Å; P179-I183 WeakPolarHBondContact O-CD1 3.44Å; P179-I183 WeakPolarHBondContact O-CG1 3.35Å; P179-I183 PolarHBondContact O-N 2.85Å |
| 180 | Y | 34.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 99.6 Ų | 99.6 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -87 | -21.6 | -173.7 | -61.5 | -81.5 | 0 | 0 | 0 | 113.6 | F177 E178 | F177-Y180 HydrophobicContact CD1-CD2 4.31Å; F177-Y180 PolarHBondContact O-N 3.06Å; E178-Y180 VanDerWaalsContact C-N 3.26Å; E178-Y180 PolarHBondContact O-N 3.18Å |
| 181 | S | 32.6 | Very low | 31.6 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 58% | 0.58 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -83.6 | -15.3 | 175.3 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | F177 E178 | F177-S181 PolarHBondContact O-N 3.26Å; F177-S181 VanDerWaalsContact O-N 3.16Å; E178-S181 PolarHBondContact O-OG 2.93Å |
| 182 | K | 30.7 | Very low | 31.1 | Very low | 151 Ų | 151 | 90.1 Ų | 90.1 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -110.1 | -10.9 | -179 | -74.8 | 172.7 | -179.2 | 161.9 | 0 | 114.5 | E178 | E178-K182 IonicContact OE1-NZ 3.95Å; E178-K182 PolarHBondContact OE1-NZ 3.21Å |
| 183 | I | 27.9 | Very low | 30.7 | Very low | 65 Ų | 65 | 91.4 Ų | 91.4 | 33% | 0.333 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -83.7 | 121.7 | 172.2 | -64.2 | 162.2 | 0 | 0 | 0 | 108.2 | P179 C185 L188 | P179-I183 WeakPolarHBondContact O-CD1 3.44Å; P179-I183 WeakPolarHBondContact O-CG1 3.35Å; P179-I183 PolarHBondContact O-N 2.85Å; I183-C185 PolarHBondContact O-N 3.12Å; I183-L188 HydrophobicContact CB-CD1 4.1Å; I183-L188 HydrophobicContact CD1-CD1 3.55Å; I183-L188 HydrophobicContact CG1-CD1 4.4Å; I183-L188 HydrophobicContact CG2-CB 4.42Å; I183-L188 HydrophobicContact CG2-CD1 3.66Å; I183-L188 HydrophobicContact CG2-CG 4.11Å |
| 184 | P | 25.4 | Very low | 30.5 | Very low | 78 Ų | 78 | 94.5 Ų | 94.5 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | trans | -55.4 | 119.8 | 166.2 | -15.6 | 28.2 | 0 | 0 | 0 | 107.2 | T186 T187 | P184-T186 VanDerWaalsContact CB-OG1 3.29Å; P184-T186 WeakPolarHBondContact CB-OG1 3.32Å; P184-T186 PolarHBondContact O-N 3.09Å; P184-T187 PolarHBondContact O-N 2.89Å; P184-T187 PolarHBondContact O-OG1 3.14Å | ||
| 185 | C | 27.5 | Very low | 30.1 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -2.3 | 174.3 | -97.2 | 0 | 0 | 0 | 0 | 113.8 | I183 S189 | I183-C185 PolarHBondContact O-N 3.12Å; C185-S189 PolarHBondContact O-OG 3.26Å |
| 186 | T | 27.5 | Very low | 29.5 | Very low | 104 Ų | 104 | 89.3 Ų | 89.3 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.2 | 167.7 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | P184 | P184-T186 VanDerWaalsContact CB-OG1 3.29Å; P184-T186 WeakPolarHBondContact CB-OG1 3.32Å; P184-T186 PolarHBondContact O-N 3.09Å |
| 187 | T | 26.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -19.5 | -171.8 | -15.4 | 0 | 0 | 0 | 0 | 114.1 | P184 | P184-T187 PolarHBondContact O-N 2.89Å; P184-T187 PolarHBondContact O-OG1 3.14Å |
| 188 | L | 25.5 | Very low | 29 | Very low | 92 Ų | 92 | 88 Ų | 88 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -91.6 | -4.9 | -179.5 | -108.2 | 159.2 | 0 | 0 | 0 | 113.8 | I183 | I183-L188 HydrophobicContact CB-CD1 4.1Å; I183-L188 HydrophobicContact CD1-CD1 3.55Å; I183-L188 HydrophobicContact CG1-CD1 4.4Å; I183-L188 HydrophobicContact CG2-CB 4.42Å; I183-L188 HydrophobicContact CG2-CD1 3.66Å; I183-L188 HydrophobicContact CG2-CG 4.11Å |
| 189 | S | 29.2 | Very low | 28.7 | Very low | 52 Ų | 52 | 91.9 Ų | 91.9 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -130.7 | 9.1 | -163.8 | 51 | 0 | 0 | 0 | 0 | 114.7 | C185 L193 | C185-S189 PolarHBondContact O-OG 3.26Å; S189-L193 WeakPolarHBondContact O-CD1 2.95Å |
| 190 | I | 27.3 | Very low | 28.5 | Very low | 85 Ų | 85 | 94.6 Ų | 94.6 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -125.7 | -45.1 | 176.1 | -59.9 | 178.3 | 0 | 0 | 0 | 111 | K194 | I190-K194 WeakPolarHBondContact O-CA 3.41Å; I190-K194 WeakPolarHBondContact O-CB 3.42Å; I190-K194 PolarHBondContact O-N 3.46Å |
| 191 | S | 27.1 | Very low | 28.4 | Very low | 73 Ų | 73 | 92.4 Ų | 92.4 | 51% | 0.51 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 173.5 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | K194 T195 | S191-K194 CarbonylContact O-C 3.58Å; S191-K194 PolarHBondContact O-N 3.06Å; S191-T195 VanDerWaalsContact O-CB 3.32Å; S191-T195 WeakPolarHBondContact O-CB 3.38Å; S191-T195 PolarHBondContact O-N 3Å; S191-T195 PolarHBondContact O-OG1 3.06Å |
| 192 | A | 26.8 | Very low | 28.3 | Very low | 44 Ų | 44 | 94.6 Ų | 94.6 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L196 | A192-L196 VanDerWaalsContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.37Å; A192-L196 WeakPolarHBondContact O-CD1 3.39Å; A192-L196 WeakPolarHBondContact O-CG 3.5Å; A192-L196 PolarHBondContact O-N 2.89Å |
| 193 | L | 27.3 | Very low | 28.4 | Very low | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 173.2 | -102.4 | 155.2 | 0 | 0 | 0 | 112.1 | S189 T197 | S189-L193 WeakPolarHBondContact O-CD1 2.95Å; L193-T197 WeakPolarHBondContact O-CB 3.45Å; L193-T197 WeakPolarHBondContact O-CG2 2.97Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.16Å |
| 194 | K | 29.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 99 Ų | 99 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 174.1 | -167.6 | -177.5 | -166.5 | -142.1 | 0 | 112.1 | I190 S191 T197 E198 | I190-K194 WeakPolarHBondContact O-CA 3.41Å; I190-K194 WeakPolarHBondContact O-CB 3.42Å; I190-K194 PolarHBondContact O-N 3.46Å; S191-K194 CarbonylContact O-C 3.58Å; S191-K194 PolarHBondContact O-N 3.06Å; K194-T197 VanDerWaalsContact CA-OG1 3.28Å; K194-T197 WeakPolarHBondContact CA-OG1 3.48Å; K194-T197 PolarHBondContact O-N 3.33Å; K194-T197 PolarHBondContact O-OG1 3.18Å; K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 HydrophobicContact CG-CG 4.29Å; K194-E198 WeakPolarHBondContact CG-OE1 3.39Å; K194-E198 IonicContact NZ-OE1 3.78Å; K194-E198 PolarHBondContact NZ-OE1 3.12Å; K194-E198 WeakPolarHBondContact O-CB 3.48Å; K194-E198 WeakPolarHBondContact O-CG 3.43Å; K194-E198 PolarHBondContact O-N 3.22Å |
| 195 | T | 28.7 | Very low | 28.7 | Very low | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 173.3 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | S191 Y199 | S191-T195 VanDerWaalsContact O-CB 3.32Å; S191-T195 WeakPolarHBondContact O-CB 3.38Å; S191-T195 PolarHBondContact O-N 3Å; S191-T195 PolarHBondContact O-OG1 3.06Å; T195-Y199 WeakPolarHBondContact O-CB 3.3Å; T195-Y199 PolarHBondContact O-N 2.9Å |
| 196 | L | 27.4 | Very low | 28.8 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.1 | -34.6 | 174 | -78.4 | 161.6 | 0 | 0 | 0 | 112.7 | A192 E200 | A192-L196 VanDerWaalsContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.37Å; A192-L196 WeakPolarHBondContact O-CD1 3.39Å; A192-L196 WeakPolarHBondContact O-CG 3.5Å; A192-L196 PolarHBondContact O-N 2.89Å; L196-E200 PolarHBondContact O-N 2.71Å |
| 197 | T | 29.6 | Very low | 29.2 | Very low | 79 Ų | 79 | 103.6 Ų | 103.6 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.1 | -35 | 172.9 | 42.1 | 0 | 0 | 0 | 0 | 112.8 | L193 K194 V201 | L193-T197 WeakPolarHBondContact O-CB 3.45Å; L193-T197 WeakPolarHBondContact O-CG2 2.97Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.16Å; K194-T197 VanDerWaalsContact CA-OG1 3.28Å; K194-T197 WeakPolarHBondContact CA-OG1 3.48Å; K194-T197 PolarHBondContact O-N 3.33Å; K194-T197 PolarHBondContact O-OG1 3.18Å; T197-V201 VanDerWaalsContact O-CB 3.24Å; T197-V201 WeakPolarHBondContact O-CB 3.4Å; T197-V201 WeakPolarHBondContact O-CG2 3.33Å; T197-V201 PolarHBondContact O-N 2.93Å |
| 198 | E | 30.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 103.7 Ų | 103.7 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72 | -31.5 | 174.2 | -73.9 | 167.5 | 175 | 0 | 0 | 111.7 | K194 M202 | K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 HydrophobicContact CG-CG 4.29Å; K194-E198 WeakPolarHBondContact CG-OE1 3.39Å; K194-E198 IonicContact NZ-OE1 3.78Å; K194-E198 PolarHBondContact NZ-OE1 3.12Å; K194-E198 WeakPolarHBondContact O-CB 3.48Å; K194-E198 WeakPolarHBondContact O-CG 3.43Å; K194-E198 PolarHBondContact O-N 3.22Å; E198-M202 WeakPolarHBondContact O-CB 3.33Å; E198-M202 WeakPolarHBondContact O-CG 3.2Å; E198-M202 PolarHBondContact O-N 3.28Å |
| 199 | Y | 27.9 | Very low | 29.6 | Very low | 169 Ų | 169 | 106.1 Ų | 106.1 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -86.1 | -26.6 | -177.9 | -147.3 | -95.1 | 0 | 0 | 0 | 113.9 | T195 | T195-Y199 WeakPolarHBondContact O-CB 3.3Å; T195-Y199 PolarHBondContact O-N 2.9Å |
| 200 | E | 30 | Very low | 29.7 | Very low | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -83.5 | -28.4 | 170.7 | -79 | -160.7 | 177.2 | 0 | 0 | 113.1 | L196 M202 K271 | L196-E200 PolarHBondContact O-N 2.71Å; E200-M202 PolarHBondContact O-N 3.22Å; E200-K271 IonicContact OE1-NZ 2.76Å; E200-K271 PolarHBondContact OE1-NZ 3.11Å; E200-K271 IonicContact OE2-NZ 3.75Å; E200-K271 PolarHBondContact OE2-NZ 3.41Å |
| 201 | V | 32 | Very low | 29.7 | Very low | 103 Ų | 103 | 109.5 Ų | 109.5 | 62% | 0.624 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.6 | -18.3 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | T197 | T197-V201 VanDerWaalsContact O-CB 3.24Å; T197-V201 WeakPolarHBondContact O-CB 3.4Å; T197-V201 WeakPolarHBondContact O-CG2 3.33Å; T197-V201 PolarHBondContact O-N 2.93Å |
| 202 | M | 29.9 | Very low | 29.7 | Very low | 129 Ų | 129 | 111.4 Ų | 111.4 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4 | -178.3 | -84.8 | -175.5 | 150.3 | 0 | 0 | 115.4 | E198 E200 E209 | E198-M202 WeakPolarHBondContact O-CB 3.33Å; E198-M202 WeakPolarHBondContact O-CG 3.2Å; E198-M202 PolarHBondContact O-N 3.28Å; E200-M202 PolarHBondContact O-N 3.22Å; M202-E209 WeakPolarHBondContact CE-OE1 3.35Å |
| 203 | K | 32.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 116.8 Ų | 116.8 | 71% | 0.709 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -94.9 | -14.4 | -172.9 | -109.7 | -178 | 178.6 | -179 | 0 | 116 | ||
| 204 | D | 29.5 | Very low | 30.1 | Very low | 144 Ų | 144 | 116 Ų | 116 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -146.3 | 137.1 | 174.2 | -78 | -52.3 | 0 | 0 | 0 | 109.8 | ||
| 205 | S | 30.8 | Very low | 30 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | trans | 89.6 | 77.9 | -179.8 | 78.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 206 | V | 29.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -6.4 | 127.2 | 131.3 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 207 | N | 35.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.2 | 3.5 | 162.7 | -110.6 | -7.1 | 0 | 0 | 0 | 121.4 | ||
| 208 | I | 33 | Very low | 30 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 43% | 0.426 | 66% | 0.658 | S | S | . | * | trans | -94.3 | -19 | -175.1 | -59.9 | 176 | 0 | 0 | 0 | 114.2 | N210 S211 L212 | I208-N210 PolarHBondContact O-N 2.99Å; I208-N210 VanDerWaalsContact O-N 3.09Å; I208-S211 PolarHBondContact O-N 2.88Å; I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.07Å | ||
| 209 | E | 29 | Very low | 29.9 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -22.7 | -174.9 | -82.6 | -175.9 | 144.5 | 0 | 0 | 115 | M202 | M202-E209 WeakPolarHBondContact CE-OE1 3.35Š|
| 210 | N | 30.3 | Very low | 30 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -13.7 | 176.9 | -75.9 | -28.8 | 0 | 0 | 0 | 114.3 | I208 | I208-N210 PolarHBondContact O-N 2.99Å; I208-N210 VanDerWaalsContact O-N 3.09Å |
| 211 | S | 28.1 | Very low | 30.3 | Very low | 70 Ų | 70 | 125 Ų | 125 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -20.6 | -177.8 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | I208 S214 | I208-S211 PolarHBondContact O-N 2.88Å; S211-S214 PolarHBondContact O-OG 2.96Å |
| 212 | L | 27.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 59% | 0.592 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -81.8 | -19.3 | -178.7 | -73.7 | 167.3 | 0 | 0 | 0 | 113.5 | I208 L215 | I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.07Å; L212-L215 HydrophobicContact CD2-CD1 3.92Å |
| 213 | I | 30.6 | Very low | 31 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -14 | 177.3 | -62.1 | 174.6 | 0 | 0 | 0 | 111.6 | ||
| 214 | S | 30.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 6.2 | 179.4 | 58.5 | 0 | 0 | 0 | 0 | 115.3 | S211 H216 | S211-S214 PolarHBondContact O-OG 2.96Å; S214-H216 PolarHBondContact O-N 3.08Å |
| 215 | L | 27.4 | Very low | 31.7 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 55% | 0.55 | 64% | 0.639 | S | S | . | * | trans | -74.4 | 70.7 | -179.7 | -100.7 | 141.7 | 0 | 0 | 0 | 112.1 | L212 I217 | L212-L215 HydrophobicContact CD2-CD1 3.92Å; L215-I217 HydrophobicContact CB-CG1 4.31Å; L215-I217 HydrophobicContact CD2-CG1 3.72Å; L215-I217 PolarHBondContact O-N 3.41Å; L215-I217 VanDerWaalsContact O-N 3.08Å | ||
| 216 | H | 27 | Very low | 32.2 | Very low | 185 Ų | 185 | 118.1 Ų | 118.1 | 86% | 0.856 | 63% | 0.634 | S | S | * | * | trans | -61.3 | 92.3 | 142.5 | -132.6 | 75.7 | 0 | 0 | 0 | 105.7 | S214 Q218 | S214-H216 PolarHBondContact O-N 3.08Å; H216-Q218 VanDerWaalsContact C-N 3.26Å; H216-Q218 PolarHBondContact O-N 3.41Å | ||
| 217 | I | 31.7 | Very low | 32.6 | Very low | 128 Ų | 128 | 115 Ų | 115 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | trans | -66 | 86.6 | -176.2 | -58.4 | 172 | 0 | 0 | 0 | 108.8 | L215 V219 | L215-I217 HydrophobicContact CB-CG1 4.31Å; L215-I217 HydrophobicContact CD2-CG1 3.72Å; L215-I217 PolarHBondContact O-N 3.41Å; L215-I217 VanDerWaalsContact O-N 3.08Å; I217-V219 HydrophobicContact CG2-CG2 4.11Å | ||
| 218 | Q | 27.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 113.3 Ų | 113.3 | 82% | 0.822 | 60% | 0.595 | S | S | * | * | trans | -70.7 | 115.7 | 146.9 | -84.8 | -178.1 | -40.8 | 0 | 0 | 105.9 | H216 D220 | H216-Q218 VanDerWaalsContact C-N 3.26Å; H216-Q218 PolarHBondContact O-N 3.41Å; Q218-D220 VanDerWaalsContact C-N 3.26Å; Q218-D220 PolarHBondContact O-N 3.07Å | ||
| 219 | V | 28.6 | Very low | 33.1 | Very low | 138 Ų | 138 | 119 Ų | 119 | 84% | 0.836 | 61% | 0.611 | S | S | * | * | trans | -66.2 | 87.6 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | I217 | I217-V219 HydrophobicContact CG2-CG2 4.11Š| ||
| 220 | D | 29.4 | Very low | 33.7 | Very low | 107 Ų | 107 | 119 Ų | 119 | 57% | 0.572 | 62% | 0.615 | S | S | * | * | trans | -97.5 | 145.8 | 177.3 | -151.3 | -14.5 | 0 | 0 | 0 | 110.3 | Q218 N222 L223 | Q218-D220 VanDerWaalsContact C-N 3.26Å; Q218-D220 PolarHBondContact O-N 3.07Å; D220-N222 PolarHBondContact O-N 3.44Å; D220-L223 PolarHBondContact O-N 3.43Å | ||
| 221 | S | 36.5 | Very low | 34.1 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | -5.3 | -175.1 | 52.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 222 | N | 37.3 | Very low | 34.6 | Very low | 87 Ų | 87 | 116 Ų | 116 | 47% | 0.465 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -85.1 | -22.3 | -175.9 | -68.3 | -34.4 | 0 | 0 | 0 | 114.7 | D220 F224 N225 D226 | D220-N222 PolarHBondContact O-N 3.44Å; N222-F224 PolarHBondContact O-N 3.2Å; N222-N225 PolarHBondContact O-N 2.96Å; N222-D226 PolarHBondContact O-N 3.18Å |
| 223 | L | 38.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -57.7 | -37.2 | -179.7 | -175.1 | 68.4 | 0 | 0 | 0 | 112.1 | D220 I227 | D220-L223 PolarHBondContact O-N 3.43Å; L223-I227 HydrophobicContact CD1-CD1 4.19Å; L223-I227 HydrophobicContact CG-CD1 3.87Å; L223-I227 WeakPolarHBondContact O-CB 3.42Å; L223-I227 WeakPolarHBondContact O-CD1 3.43Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 2.78Å; L223-I227 VanDerWaalsContact O-N 3.1Å |
| 224 | F | 36 | Very low | 35.8 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 43% | 0.425 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66 | -42.1 | 177.1 | -176.1 | -93.5 | 0 | 0 | 0 | 112.2 | N222 I227 Y228 L282 | N222-F224 PolarHBondContact O-N 3.2Å; F224-I227 PolarHBondContact O-N 3.42Å; F224-Y228 VanDerWaalsContact O-CB 3.25Å; F224-Y228 WeakPolarHBondContact O-CB 3.41Å; F224-Y228 PolarHBondContact O-N 2.87Å; F224-L282 HydrophobicContact CE1-CD2 4.45Å; F224-L282 HydrophobicContact CE2-CD2 3.65Å; F224-L282 HydrophobicContact CZ-CD2 3.61Å |
| 225 | N | 40.5 | Very low | 36.4 | Very low | 83 Ų | 83 | 113 Ų | 113 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.3 | -36.8 | -179.7 | -78.2 | -30.3 | 0 | 0 | 0 | 112.4 | N222 Y228 R229 | N222-N225 PolarHBondContact O-N 2.96Å; N225-Y228 PolarHBondContact O-N 3.39Å; N225-R229 PolarHBondContact O-N 2.97Å |
| 226 | D | 42.7 | Very low | 37.6 | Very low | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 177.1 | -66.8 | -28.2 | 0 | 0 | 0 | 111.2 | N222 R229 L230 | N222-D226 PolarHBondContact O-N 3.18Å; D226-R229 PolarHBondContact O-N 3.43Å; D226-L230 WeakPolarHBondContact O-CB 3.34Å; D226-L230 WeakPolarHBondContact O-CD1 3.32Å; D226-L230 WeakPolarHBondContact O-CG 3.34Å; D226-L230 PolarHBondContact O-N 2.83Å; D226-L230 VanDerWaalsContact O-N 3.07Å |
| 227 | I | 36.5 | Very low | 38.2 | Very low | 75 Ų | 75 | 101.5 Ų | 101.5 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 172.7 | -68.1 | 168.5 | 0 | 0 | 0 | 111 | L223 F224 L230 A231 T278 | L223-I227 HydrophobicContact CD1-CD1 4.19Å; L223-I227 HydrophobicContact CG-CD1 3.87Å; L223-I227 WeakPolarHBondContact O-CB 3.42Å; L223-I227 WeakPolarHBondContact O-CD1 3.43Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 2.78Å; L223-I227 VanDerWaalsContact O-N 3.1Å; F224-I227 PolarHBondContact O-N 3.42Å; I227-L230 PolarHBondContact O-N 3.33Å; I227-A231 WeakPolarHBondContact O-CB 3.38Å; I227-A231 PolarHBondContact O-N 2.88Å; I227-T278 HydrophobicContact CG2-CG2 3.78Å |
| 228 | Y | 36.8 | Very low | 38.8 | Very low | 106 Ų | 106 | 99.8 Ų | 99.8 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.2 | -175.4 | -90.7 | 0 | 0 | 0 | 112.2 | F224 N225 A231 Y232 L282 | F224-Y228 VanDerWaalsContact O-CB 3.25Å; F224-Y228 WeakPolarHBondContact O-CB 3.41Å; F224-Y228 PolarHBondContact O-N 2.87Å; N225-Y228 PolarHBondContact O-N 3.39Å; Y228-A231 PolarHBondContact O-N 3.12Å; Y228-Y232 WeakPolarHBondContact O-CB 3.39Å; Y228-Y232 PolarHBondContact O-N 3.33Å; Y228-L282 HydrophobicContact CD2-CD1 3.86Å; Y228-L282 HydrophobicContact CD2-CD2 4.03Å; Y228-L282 HydrophobicContact CD2-CG 4.42Å |
| 229 | R | 42.6 | Very low | 40 | Very low | 202 Ų | 202 | 97.2 Ų | 97.2 | 76% | 0.762 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 176.4 | -93.7 | -177.6 | 152.5 | -175.1 | -5.8 | 112.7 | N225 D226 Y232 | N225-R229 PolarHBondContact O-N 2.97Å; D226-R229 PolarHBondContact O-N 3.43Å; R229-Y232 PolarHBondContact O-N 3.08Å |
| 230 | L | 42.1 | Very low | 41 | Very low | 142 Ų | 142 | 92.2 Ų | 92.2 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | 177.3 | -80.5 | 161.2 | 0 | 0 | 0 | 112.4 | D226 I227 Y232 | D226-L230 WeakPolarHBondContact O-CB 3.34Å; D226-L230 WeakPolarHBondContact O-CD1 3.32Å; D226-L230 WeakPolarHBondContact O-CG 3.34Å; D226-L230 PolarHBondContact O-N 2.83Å; D226-L230 VanDerWaalsContact O-N 3.07Å; I227-L230 PolarHBondContact O-N 3.33Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; L230-Y232 PolarHBondContact O-N 3.08Å |
| 231 | A | 38 | Very low | 41.6 | Very low | 7 Ų | 7 | 90.1 Ų | 90.1 | 6% | 0.058 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.6 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I227 Y228 T278 L282 | I227-A231 WeakPolarHBondContact O-CB 3.38Å; I227-A231 PolarHBondContact O-N 2.88Å; Y228-A231 PolarHBondContact O-N 3.12Å; A231-T278 HydrophobicContact CB-CG2 3.52Å; A231-L282 HydrophobicContact CB-CD1 3.8Å |
| 232 | Y | 37.3 | Very low | 42.1 | Very low | 140 Ų | 140 | 90.9 Ų | 90.9 | 55% | 0.549 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0 | -174.4 | -146.9 | -96.3 | 0 | 0 | 0 | 114.1 | Y228 R229 L230 K234 | Y228-Y232 WeakPolarHBondContact O-CB 3.39Å; Y228-Y232 PolarHBondContact O-N 3.33Å; R229-Y232 PolarHBondContact O-N 3.08Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; L230-Y232 PolarHBondContact O-N 3.08Å; Y232-K234 PolarHBondContact O-N 3.07Å |
| 233 | D | 46.6 | Very low | 43.1 | Very low | 85 Ų | 85 | 90.7 Ų | 90.7 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | trans | -75.6 | 86.7 | 178.3 | -170.8 | -1.1 | 0 | 0 | 0 | 111.6 | S235 G236 I237 | D233-S235 VanDerWaalsContact CG-OG 3.31Å; D233-S235 PolarHBondContact O-N 2.88Å; D233-S235 WeakPolarHBondContact OD1-CB 3.31Å; D233-S235 PolarHBondContact OD1-N 3.05Å; D233-S235 PolarHBondContact OD1-OG 3.11Å; D233-S235 PolarHBondContact OD2-OG 2.97Å; D233-G236 PolarHBondContact O-N 3.43Å; D233-G236 VanDerWaalsContact O-N 3.09Å; D233-I237 WeakPolarHBondContact O-CG1 3.4Å; D233-I237 PolarHBondContact O-N 2.78Å | ||
| 234 | K | 38.1 | Very low | 43.6 | Very low | 147 Ų | 147 | 86.2 Ų | 86.2 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -51.5 | -27.7 | 175.4 | -70.2 | -176.9 | 178.5 | -179.5 | 0 | 113.4 | Y232 I238 | Y232-K234 PolarHBondContact O-N 3.07Å; K234-I238 WeakPolarHBondContact O-CD1 3.18Å; K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.46Å; K234-I238 PolarHBondContact O-N 2.83Å |
| 235 | S | 44.5 | Very low | 44.1 | Very low | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | -179.3 | 77.4 | 0 | 0 | 0 | 0 | 111.7 | D233 I238 Q239 | D233-S235 VanDerWaalsContact CG-OG 3.31Å; D233-S235 PolarHBondContact O-N 2.88Å; D233-S235 WeakPolarHBondContact OD1-CB 3.31Å; D233-S235 PolarHBondContact OD1-N 3.05Å; D233-S235 PolarHBondContact OD1-OG 3.11Å; D233-S235 PolarHBondContact OD2-OG 2.97Å; S235-I238 PolarHBondContact O-N 2.9Å; S235-Q239 WeakPolarHBondContact O-CG 3.36Å; S235-Q239 PolarHBondContact O-N 3.46Å; S235-Q239 VanDerWaalsContact O-N 3.14Å |
| 236 | G | 50.7 | Low | 45 | Very low | 21 Ų | 21 | 85.9 Ų | 85.9 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D233 Q239 I240 | D233-G236 PolarHBondContact O-N 3.43Å; D233-G236 VanDerWaalsContact O-N 3.09Å; G236-Q239 PolarHBondContact O-N 3.42Å; G236-I240 WeakPolarHBondContact O-CD1 3.14Å; G236-I240 VanDerWaalsContact O-CG1 3.28Å; G236-I240 WeakPolarHBondContact O-CG1 3.44Å; G236-I240 PolarHBondContact O-N 2.89Å |
| 237 | I | 41.4 | Very low | 45.7 | Very low | 26 Ų | 26 | 82.2 Ų | 82.2 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64 | -46 | 178 | -47.2 | -168.5 | 0 | 0 | 0 | 111 | D233 Q239 I240 I241 L272 V275 L279 | D233-I237 WeakPolarHBondContact O-CG1 3.4Å; D233-I237 PolarHBondContact O-N 2.78Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.31Å; I237-I240 PolarHBondContact O-N 3.33Å; I237-I241 HydrophobicContact CG2-CD1 4.07Å; I237-I241 WeakPolarHBondContact O-CG1 3.33Å; I237-I241 PolarHBondContact O-N 3.45Å; I237-L272 HydrophobicContact CG2-CD1 4.45Å; I237-V275 HydrophobicContact CD1-CG1 3.4Å; I237-V275 HydrophobicContact CG1-CG1 3.68Å; I237-L279 HydrophobicContact CD1-CD1 3.8Å |
| 238 | I | 42.7 | Very low | 46.2 | Very low | 92 Ų | 92 | 84 Ų | 84 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 179.6 | -69.3 | 169.6 | 0 | 0 | 0 | 110.8 | K234 S235 I241 Q242 | K234-I238 WeakPolarHBondContact O-CD1 3.18Å; K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.46Å; K234-I238 PolarHBondContact O-N 2.83Å; S235-I238 PolarHBondContact O-N 2.9Å; I238-I241 PolarHBondContact O-N 3.41Å; I238-Q242 HydrophobicContact CG2-CG 4.42Å; I238-Q242 WeakPolarHBondContact O-CB 3.36Å; I238-Q242 VanDerWaalsContact O-CG 3.26Å; I238-Q242 WeakPolarHBondContact O-CG 3.16Å; I238-Q242 PolarHBondContact O-N 3.4Å |
| 239 | Q | 52.5 | Low | 47.1 | Very low | 123 Ų | 123 | 84.2 Ų | 84.2 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 176.2 | -73.8 | 174.2 | 4.8 | 0 | 0 | 112.3 | S235 G236 I237 I241 Q242 Q243 | S235-Q239 WeakPolarHBondContact O-CG 3.36Å; S235-Q239 PolarHBondContact O-N 3.46Å; S235-Q239 VanDerWaalsContact O-N 3.14Å; G236-Q239 PolarHBondContact O-N 3.42Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.31Å; Q239-I241 PolarHBondContact O-N 2.88Å; Q239-Q242 PolarHBondContact O-N 2.96Å; Q239-Q243 WeakPolarHBondContact O-CB 3.41Å; Q239-Q243 PolarHBondContact O-N 3.42Å |
| 240 | I | 49.8 | Very low | 47.7 | Very low | 32 Ų | 32 | 78.3 Ų | 78.3 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.9 | -64.2 | 163.2 | 0 | 0 | 0 | 110.5 | G236 I237 Q243 V244 K271 L272 | G236-I240 WeakPolarHBondContact O-CD1 3.14Å; G236-I240 VanDerWaalsContact O-CG1 3.28Å; G236-I240 WeakPolarHBondContact O-CG1 3.44Å; G236-I240 PolarHBondContact O-N 2.89Å; I237-I240 PolarHBondContact O-N 3.33Å; I240-Q243 PolarHBondContact O-N 3.17Å; I240-V244 WeakPolarHBondContact O-CG2 3.25Å; I240-V244 PolarHBondContact O-N 3.15Å; I240-K271 HydrophobicContact CD1-CB 4.21Å; I240-K271 HydrophobicContact CG2-CB 4.39Å; I240-L272 HydrophobicContact CB-CD1 4.08Å; I240-L272 HydrophobicContact CG2-CB 4Å; I240-L272 HydrophobicContact CG2-CD1 3.66Å; I240-L272 HydrophobicContact CG2-CG 4.46Å |
| 241 | I | 41.9 | Very low | 48.2 | Very low | 63 Ų | 63 | 74 Ų | 74 | 32% | 0.323 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 176.5 | -67.3 | 170.3 | 0 | 0 | 0 | 111.2 | I237 I238 Q239 Q243 V244 Q245 L272 | I237-I241 HydrophobicContact CG2-CD1 4.07Å; I237-I241 WeakPolarHBondContact O-CG1 3.33Å; I237-I241 PolarHBondContact O-N 3.45Å; I238-I241 PolarHBondContact O-N 3.41Å; Q239-I241 PolarHBondContact O-N 2.88Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 2.9Å; I241-V244 PolarHBondContact O-N 3.37Å; I241-Q245 WeakPolarHBondContact O-CG 3.35Å; I241-Q245 PolarHBondContact O-N 3.03Å; I241-L272 HydrophobicContact CD1-CD1 4.28Å; I241-L272 HydrophobicContact CG1-CD1 3.49Å; I241-L272 VanDerWaalsContact CG1-CD1 3.49Å; I241-L272 HydrophobicContact CG1-CD2 4.47Å |
| 242 | Q | 48.2 | Very low | 48.8 | Very low | 108 Ų | 108 | 78.9 Ų | 78.9 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 177.4 | -74.5 | 172.9 | -14.2 | 0 | 0 | 111.8 | I238 Q239 Q245 T246 | I238-Q242 HydrophobicContact CG2-CG 4.42Å; I238-Q242 WeakPolarHBondContact O-CB 3.36Å; I238-Q242 VanDerWaalsContact O-CG 3.26Å; I238-Q242 WeakPolarHBondContact O-CG 3.16Å; I238-Q242 PolarHBondContact O-N 3.4Å; Q239-Q242 PolarHBondContact O-N 2.96Å; Q242-Q245 PolarHBondContact O-N 3.12Å; Q242-T246 WeakPolarHBondContact O-CB 3.31Å; Q242-T246 PolarHBondContact O-N 2.73Å; Q242-T246 PolarHBondContact O-OG1 3.05Å |
| 243 | Q | 56.5 | Low | 49.6 | Very low | 84 Ų | 84 | 79.5 Ų | 79.5 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 178.2 | -164.1 | 62.9 | 47.3 | 0 | 0 | 112.2 | Q239 I240 I241 Q245 T246 D247 H268 | Q239-Q243 WeakPolarHBondContact O-CB 3.41Å; Q239-Q243 PolarHBondContact O-N 3.42Å; I240-Q243 PolarHBondContact O-N 3.17Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 2.9Å; Q243-Q245 VanDerWaalsContact C-N 3.3Å; Q243-Q245 PolarHBondContact O-N 2.76Å; Q243-T246 PolarHBondContact O-N 3.27Å; Q243-D247 PolarHBondContact NE2-OD1 2.98Å; Q243-D247 WeakPolarHBondContact O-CB 3.43Å; Q243-D247 PolarHBondContact O-N 3.07Å; Q243-H268 WeakPolarHBondContact CG-CE1 3.26Å |
| 244 | V | 49.4 | Very low | 49.7 | Very low | 25 Ų | 25 | 77.7 Ų | 77.7 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | I240 I241 T246 Y248 H268 L269 | I240-V244 WeakPolarHBondContact O-CG2 3.25Å; I240-V244 PolarHBondContact O-N 3.15Å; I241-V244 PolarHBondContact O-N 3.37Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-Y248 VanDerWaalsContact O-CB 3.26Å; V244-Y248 WeakPolarHBondContact O-CB 3.35Å; V244-Y248 PolarHBondContact O-N 2.98Å; V244-H268 HydrophobicContact CG2-CB 3.4Å; V244-L269 HydrophobicContact CG1-CD2 4.23Å |
| 245 | Q | 47.9 | Very low | 50.1 | Low | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.7 | -75.4 | 177.1 | -19.2 | 0 | 0 | 112.2 | I241 Q242 Q243 Q249 | I241-Q245 WeakPolarHBondContact O-CG 3.35Å; I241-Q245 PolarHBondContact O-N 3.03Å; Q242-Q245 PolarHBondContact O-N 3.12Å; Q243-Q245 VanDerWaalsContact C-N 3.3Å; Q243-Q245 PolarHBondContact O-N 2.76Å; Q245-Q249 WeakPolarHBondContact O-CB 3.32Å; Q245-Q249 VanDerWaalsContact O-CG 3.25Å; Q245-Q249 WeakPolarHBondContact O-CG 3.37Å; Q245-Q249 PolarHBondContact O-N 2.88Å |
| 246 | T | 58.9 | Low | 49.9 | Very low | 61 Ų | 61 | 80.6 Ų | 80.6 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -50.8 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | Q242 Q243 V244 Y248 Q249 D250 | Q242-T246 WeakPolarHBondContact O-CB 3.31Å; Q242-T246 PolarHBondContact O-N 2.73Å; Q242-T246 PolarHBondContact O-OG1 3.05Å; Q243-T246 PolarHBondContact O-N 3.27Å; V244-T246 VanDerWaalsContact C-N 3.34Å; T246-Y248 VanDerWaalsContact C-N 3.29Å; T246-Y248 PolarHBondContact O-N 3.23Å; T246-Q249 PolarHBondContact O-N 3.13Å; T246-Q249 VanDerWaalsContact O-N 3.15Å; T246-D250 PolarHBondContact O-N 2.83Å |
| 247 | D | 56.5 | Low | 49.9 | Very low | 15 Ų | 15 | 88 Ų | 88 | 8% | 0.08 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -36.5 | -178.6 | -64.2 | -9.6 | 0 | 0 | 0 | 112.1 | Q243 D250 L251 I265 H268 | Q243-D247 PolarHBondContact NE2-OD1 2.98Å; Q243-D247 WeakPolarHBondContact O-CB 3.43Å; Q243-D247 PolarHBondContact O-N 3.07Å; D247-D250 PolarHBondContact O-N 3.27Å; D247-L251 WeakPolarHBondContact O-CB 3.15Å; D247-L251 PolarHBondContact O-N 3.46Å; D247-I265 HydrophobicContact CB-CD1 4.36Å; D247-I265 HydrophobicContact CB-CG1 3.63Å; D247-H268 IonicContact OD2-CE1 3.43Å; D247-H268 PolarHBondContact OD2-CE1 3.23Å; D247-H268 IonicContact OD2-ND1 3.73Å; D247-H268 PolarHBondContact OD2-ND1 3.33Å |
| 248 | Y | 48.1 | Very low | 50.3 | Low | 113 Ų | 113 | 91.1 Ų | 91.1 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 176.1 | -170.9 | -96.9 | 0 | 0 | 0 | 112.6 | V244 T246 D250 L251 N252 I265 | V244-Y248 VanDerWaalsContact O-CB 3.26Å; V244-Y248 WeakPolarHBondContact O-CB 3.35Å; V244-Y248 PolarHBondContact O-N 2.98Å; T246-Y248 VanDerWaalsContact C-N 3.29Å; T246-Y248 PolarHBondContact O-N 3.23Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.34Å; Y248-L251 PolarHBondContact O-N 3.19Å; Y248-N252 WeakPolarHBondContact CE1-ND2 3.28Å; Y248-N252 PolarHBondContact O-N 3.42Å; Y248-N252 VanDerWaalsContact O-N 3.1Å; Y248-I265 HydrophobicContact CD2-CD1 4.34Å |
| 249 | Q | 55 | Low | 50.6 | Low | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 173.7 | -75.8 | 178.9 | 10.8 | 0 | 0 | 111.8 | Q245 T246 N252 K253 | Q245-Q249 WeakPolarHBondContact O-CB 3.32Å; Q245-Q249 VanDerWaalsContact O-CG 3.25Å; Q245-Q249 WeakPolarHBondContact O-CG 3.37Å; Q245-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 PolarHBondContact O-N 3.13Å; T246-Q249 VanDerWaalsContact O-N 3.15Å; Q249-N252 PolarHBondContact O-N 3.44Å; Q249-K253 VanDerWaalsContact O-CG 3.27Å; Q249-K253 WeakPolarHBondContact O-CG 3.38Å; Q249-K253 PolarHBondContact O-N 2.99Å; Q249-K253 VanDerWaalsContact O-N 3.13Å |
| 250 | D | 56.6 | Low | 50.6 | Low | 78 Ų | 78 | 90.1 Ų | 90.1 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.7 | -36.9 | 176.2 | -71 | -17.5 | 0 | 0 | 0 | 111.7 | T246 D247 Y248 N252 K253 A254 | T246-D250 PolarHBondContact O-N 2.83Å; D247-D250 PolarHBondContact O-N 3.27Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.34Å; D250-N252 VanDerWaalsContact C-N 3.34Å; D250-N252 PolarHBondContact O-N 2.68Å; D250-K253 PolarHBondContact O-N 3.31Å; D250-A254 VanDerWaalsContact O-CB 3.31Å; D250-A254 WeakPolarHBondContact O-CB 3.16Å; D250-A254 PolarHBondContact O-N 3.31Å |
| 251 | L | 51.8 | Low | 50.5 | Low | 52 Ų | 52 | 89.4 Ų | 89.4 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 174.8 | -157.7 | 132.4 | 0 | 0 | 0 | 112.4 | D247 Y248 L262 I265 | D247-L251 WeakPolarHBondContact O-CB 3.15Å; D247-L251 PolarHBondContact O-N 3.46Å; Y248-L251 PolarHBondContact O-N 3.19Å; L251-L262 HydrophobicContact CD1-CB 4.13Å; L251-L262 HydrophobicContact CD1-CD1 4.19Å; L251-I265 HydrophobicContact CB-CD1 4.16Å; L251-I265 HydrophobicContact CD1-CD1 3.7Å; L251-I265 HydrophobicContact CG-CD1 4.46Å |
| 252 | N | 50.1 | Low | 50.7 | Low | 109 Ų | 109 | 90.6 Ų | 90.6 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -77.6 | -22 | 176.2 | -79.3 | -21.4 | 0 | 0 | 0 | 114.1 | Y248 Q249 D250 | Y248-N252 WeakPolarHBondContact CE1-ND2 3.28Å; Y248-N252 PolarHBondContact O-N 3.42Å; Y248-N252 VanDerWaalsContact O-N 3.1Å; Q249-N252 PolarHBondContact O-N 3.44Å; D250-N252 VanDerWaalsContact C-N 3.34Å; D250-N252 PolarHBondContact O-N 2.68Å |
| 253 | K | 55.1 | Low | 50.7 | Low | 153 Ų | 153 | 88.2 Ų | 88.2 | 67% | 0.665 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -87.6 | -29.2 | 175.4 | -72.7 | 170.7 | -172.8 | 167.2 | 0 | 112.3 | Q249 D250 D255 | Q249-K253 VanDerWaalsContact O-CG 3.27Å; Q249-K253 WeakPolarHBondContact O-CG 3.38Å; Q249-K253 PolarHBondContact O-N 2.99Å; Q249-K253 VanDerWaalsContact O-N 3.13Å; D250-K253 PolarHBondContact O-N 3.31Å; K253-D255 PolarHBondContact O-N 3.12Å |
| 254 | A | 48.5 | Very low | 50.4 | Low | 48 Ų | 48 | 87.1 Ų | 87.1 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -85.3 | 90.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D250 N256 | D250-A254 VanDerWaalsContact O-CB 3.31Å; D250-A254 WeakPolarHBondContact O-CB 3.16Å; D250-A254 PolarHBondContact O-N 3.31Å; A254-N256 PolarHBondContact O-N 3.02Å |
| 255 | D | 46.1 | Very low | 50.4 | Low | 152 Ų | 152 | 86.9 Ų | 86.9 | 81% | 0.813 | 45% | 0.45 | S | S | * | . | trans | -61.4 | 39.7 | -178.6 | -151.6 | 18.2 | 0 | 0 | 0 | 114.9 | K253 | K253-D255 PolarHBondContact O-N 3.12Š| ||
| 256 | N | 41 | Very low | 50.3 | Low | 116 Ų | 116 | 86.6 Ų | 86.6 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 168.2 | 133.2 | 164.8 | -97.1 | -61.7 | 0 | 0 | 0 | 112.8 | A254 N258 | A254-N256 PolarHBondContact O-N 3.02Å; N256-N258 PolarHBondContact O-N 2.97Å; N256-N258 VanDerWaalsContact O-N 3.09Å |
| 257 | K | 50 | Low | 49.8 | Very low | 177 Ų | 177 | 87 Ų | 87 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | trans | 63.6 | 14.4 | 137.8 | -61.6 | 178.7 | -177.1 | -179.4 | 0 | 120.9 | L259 | K257-L259 PolarHBondContact O-N 2.96Š| ||
| 258 | N | 49.8 | Very low | 49.4 | Very low | 91 Ų | 91 | 87.8 Ų | 87.8 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | trans | -78.8 | 87 | 177.2 | -148.8 | -0.9 | 0 | 0 | 0 | 111.6 | N256 S260 S261 | N256-N258 PolarHBondContact O-N 2.97Å; N256-N258 VanDerWaalsContact O-N 3.09Å; N258-S260 PolarHBondContact O-N 3.21Å; N258-S261 PolarHBondContact O-N 2.87Å | ||
| 259 | L | 47.9 | Very low | 49.4 | Very low | 133 Ų | 133 | 85.3 Ų | 85.3 | 70% | 0.696 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -51.3 | -29.7 | 178.5 | -156.3 | 81.4 | 0 | 0 | 0 | 112 | K257 L262 V263 | K257-L259 PolarHBondContact O-N 2.96Å; L259-L262 PolarHBondContact O-N 2.82Å; L259-V263 VanDerWaalsContact O-CG2 3.29Å; L259-V263 WeakPolarHBondContact O-CG2 3.47Å; L259-V263 PolarHBondContact O-N 3.21Å; L259-V263 VanDerWaalsContact O-N 3.13Å |
| 260 | S | 53.1 | Low | 49 | Very low | 61 Ų | 61 | 85.8 Ų | 85.8 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 178.6 | 91.8 | 0 | 0 | 0 | 0 | 112.8 | N258 L262 V263 N264 | N258-S260 PolarHBondContact O-N 3.21Å; S260-L262 VanDerWaalsContact C-N 3.33Å; S260-V263 PolarHBondContact O-N 2.67Å; S260-N264 PolarHBondContact O-N 2.99Å; S260-N264 PolarHBondContact O-OD1 2.98Å |
| 261 | S | 47.7 | Very low | 48.5 | Very low | 18 Ų | 18 | 85.1 Ų | 85.1 | 13% | 0.126 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 179.4 | -58 | 0 | 0 | 0 | 0 | 111 | N258 N264 I265 | N258-S261 PolarHBondContact O-N 2.87Å; S261-N264 PolarHBondContact O-N 3.44Å; S261-I265 WeakPolarHBondContact O-CD1 3.27Å; S261-I265 VanDerWaalsContact O-CG1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.31Å; S261-I265 PolarHBondContact O-N 2.72Å |
| 262 | L | 45.7 | Very low | 48.2 | Very low | 87 Ų | 87 | 84.1 Ų | 84.1 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 175.7 | -151.3 | 123.9 | 0 | 0 | 0 | 112 | L251 L259 S260 Q266 | L251-L262 HydrophobicContact CD1-CB 4.13Å; L251-L262 HydrophobicContact CD1-CD1 4.19Å; L259-L262 PolarHBondContact O-N 2.82Å; S260-L262 VanDerWaalsContact C-N 3.33Å; L262-Q266 WeakPolarHBondContact O-CB 3.47Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.41Å; L262-Q266 PolarHBondContact O-N 3.47Å |
| 263 | V | 48.9 | Very low | 47.8 | Very low | 59 Ų | 59 | 80 Ų | 80 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 172.3 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L259 S260 Q266 Q267 | L259-V263 VanDerWaalsContact O-CG2 3.29Å; L259-V263 WeakPolarHBondContact O-CG2 3.47Å; L259-V263 PolarHBondContact O-N 3.21Å; L259-V263 VanDerWaalsContact O-N 3.13Å; S260-V263 PolarHBondContact O-N 2.67Å; V263-Q266 PolarHBondContact O-N 2.95Å; V263-Q267 HydrophobicContact CG1-CG 4.48Å; V263-Q267 WeakPolarHBondContact O-CB 3.01Å; V263-Q267 VanDerWaalsContact O-CG 3.3Å; V263-Q267 WeakPolarHBondContact O-CG 2.84Å; V263-Q267 PolarHBondContact O-N 3.5Å |
| 264 | N | 50.6 | Low | 47.3 | Very low | 61 Ų | 61 | 75.7 Ų | 75.7 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 177.7 | -70.1 | -7.9 | 0 | 0 | 0 | 111.9 | S260 S261 Q266 Q267 H268 | S260-N264 PolarHBondContact O-N 2.99Å; S260-N264 PolarHBondContact O-OD1 2.98Å; S261-N264 PolarHBondContact O-N 3.44Å; N264-Q266 VanDerWaalsContact C-N 3.34Å; N264-Q266 PolarHBondContact O-N 3.1Å; N264-Q267 PolarHBondContact O-N 3.04Å; N264-H268 PolarHBondContact O-N 3.06Å; N264-H268 PolarHBondContact O-ND1 3Å; N264-H268 VanDerWaalsContact O-ND1 3.14Å |
| 265 | I | 48.5 | Very low | 47 | Very low | 20 Ų | 20 | 74.7 Ų | 74.7 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.4 | -68.2 | 164.2 | 0 | 0 | 0 | 110.6 | D247 Y248 L251 S261 Q267 H268 L269 | D247-I265 HydrophobicContact CB-CD1 4.36Å; D247-I265 HydrophobicContact CB-CG1 3.63Å; Y248-I265 HydrophobicContact CD2-CD1 4.34Å; L251-I265 HydrophobicContact CB-CD1 4.16Å; L251-I265 HydrophobicContact CD1-CD1 3.7Å; L251-I265 HydrophobicContact CG-CD1 4.46Å; S261-I265 WeakPolarHBondContact O-CD1 3.27Å; S261-I265 VanDerWaalsContact O-CG1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.31Å; S261-I265 PolarHBondContact O-N 2.72Å; I265-Q267 PolarHBondContact O-N 3.21Å; I265-H268 PolarHBondContact O-N 3.44Å; I265-L269 HydrophobicContact CG2-CD1 3.79Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CB 3.32Å; I265-L269 VanDerWaalsContact O-CG 3.25Å; I265-L269 WeakPolarHBondContact O-CG 3.35Å; I265-L269 PolarHBondContact O-N 3.31Å |
| 266 | Q | 46.8 | Very low | 46.9 | Very low | 105 Ų | 105 | 70.9 Ų | 70.9 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.5 | -77.3 | 178.4 | -16.4 | 0 | 0 | 112.3 | L262 V263 N264 L270 | L262-Q266 WeakPolarHBondContact O-CB 3.47Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.41Å; L262-Q266 PolarHBondContact O-N 3.47Å; V263-Q266 PolarHBondContact O-N 2.95Å; N264-Q266 VanDerWaalsContact C-N 3.34Å; N264-Q266 PolarHBondContact O-N 3.1Å; Q266-L270 WeakPolarHBondContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CD1 3.11Å; Q266-L270 WeakPolarHBondContact O-CG 3.47Å; Q266-L270 PolarHBondContact O-N 3.23Å |
| 267 | Q | 49.1 | Very low | 47.1 | Very low | 69 Ų | 69 | 66.2 Ų | 66.2 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.2 | -75.6 | 177.2 | -5.2 | 0 | 0 | 112.4 | V263 N264 I265 L270 K271 | V263-Q267 HydrophobicContact CG1-CG 4.48Å; V263-Q267 WeakPolarHBondContact O-CB 3.01Å; V263-Q267 VanDerWaalsContact O-CG 3.3Å; V263-Q267 WeakPolarHBondContact O-CG 2.84Å; V263-Q267 PolarHBondContact O-N 3.5Å; N264-Q267 PolarHBondContact O-N 3.04Å; I265-Q267 PolarHBondContact O-N 3.21Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.07Å; Q267-K271 WeakPolarHBondContact O-CG 3.14Å; Q267-K271 PolarHBondContact O-N 3.46Å |
| 268 | H | 48 | Very low | 46.6 | Very low | 32 Ų | 32 | 59.8 Ų | 59.8 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 178.6 | -66.2 | 137.9 | 0 | 0 | 0 | 112.6 | Q243 V244 D247 N264 I265 K271 L272 | Q243-H268 WeakPolarHBondContact CG-CE1 3.26Å; V244-H268 HydrophobicContact CG2-CB 3.4Å; D247-H268 IonicContact OD2-CE1 3.43Å; D247-H268 PolarHBondContact OD2-CE1 3.23Å; D247-H268 IonicContact OD2-ND1 3.73Å; D247-H268 PolarHBondContact OD2-ND1 3.33Å; N264-H268 PolarHBondContact O-N 3.06Å; N264-H268 PolarHBondContact O-ND1 3Å; N264-H268 VanDerWaalsContact O-ND1 3.14Å; I265-H268 PolarHBondContact O-N 3.44Å; H268-K271 PolarHBondContact O-N 3.44Å; H268-L272 WeakPolarHBondContact O-CB 3.44Å; H268-L272 PolarHBondContact O-N 3.38Å |
| 269 | L | 46.5 | Very low | 46.3 | Very low | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 171.2 | -71.8 | 172.1 | 0 | 0 | 0 | 112.4 | F46 V244 I265 L272 S273 | F46-L269 HydrophobicContact CZ-CD2 4.31Å; V244-L269 HydrophobicContact CG1-CD2 4.23Å; I265-L269 HydrophobicContact CG2-CD1 3.79Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CB 3.32Å; I265-L269 VanDerWaalsContact O-CG 3.25Å; I265-L269 WeakPolarHBondContact O-CG 3.35Å; I265-L269 PolarHBondContact O-N 3.31Å; L269-L272 PolarHBondContact O-N 2.87Å; L269-S273 WeakPolarHBondContact O-CB 2.99Å; L269-S273 PolarHBondContact O-N 3.43Å; L269-S273 PolarHBondContact O-OG 3.35Å |
| 270 | L | 46.9 | Very low | 46.2 | Very low | 118 Ų | 118 | 54.1 Ų | 54.1 | 62% | 0.618 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 172.1 | -84.3 | 157.9 | 0 | 0 | 0 | 112.4 | Q266 Q267 S273 S274 | Q266-L270 WeakPolarHBondContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CD1 3.11Å; Q266-L270 WeakPolarHBondContact O-CG 3.47Å; Q266-L270 PolarHBondContact O-N 3.23Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.07Å; L270-S273 WeakPolarHBondContact CA-OG 3.23Å; L270-S273 PolarHBondContact O-OG 3.15Å; L270-S274 PolarHBondContact O-N 3.46Å; L270-S274 VanDerWaalsContact O-N 3.15Å |
| 271 | K | 46.4 | Very low | 45.6 | Very low | 65 Ų | 65 | 53.9 Ų | 53.9 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 174.3 | -70 | -175.9 | -173.3 | -171.2 | 0 | 111.9 | E200 I240 Q267 H268 S274 V275 | E200-K271 IonicContact OE1-NZ 2.76Å; E200-K271 PolarHBondContact OE1-NZ 3.11Å; E200-K271 IonicContact OE2-NZ 3.75Å; E200-K271 PolarHBondContact OE2-NZ 3.41Å; I240-K271 HydrophobicContact CD1-CB 4.21Å; I240-K271 HydrophobicContact CG2-CB 4.39Å; Q267-K271 WeakPolarHBondContact O-CG 3.14Å; Q267-K271 PolarHBondContact O-N 3.46Å; H268-K271 PolarHBondContact O-N 3.44Å; K271-S274 PolarHBondContact O-N 3.09Å; K271-S274 PolarHBondContact O-OG 2.9Å; K271-S274 VanDerWaalsContact O-OG 3.09Å; K271-V275 WeakPolarHBondContact O-CG2 3.39Å; K271-V275 PolarHBondContact O-N 2.81Å |
| 272 | L | 45.9 | Very low | 45.1 | Very low | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 179.4 | -160.5 | 83.5 | 0 | 0 | 0 | 111.5 | I237 I240 I241 H268 L269 V275 F276 | I237-L272 HydrophobicContact CG2-CD1 4.45Å; I240-L272 HydrophobicContact CB-CD1 4.08Å; I240-L272 HydrophobicContact CG2-CB 4Å; I240-L272 HydrophobicContact CG2-CD1 3.66Å; I240-L272 HydrophobicContact CG2-CG 4.46Å; I241-L272 HydrophobicContact CD1-CD1 4.28Å; I241-L272 HydrophobicContact CG1-CD1 3.49Å; I241-L272 VanDerWaalsContact CG1-CD1 3.49Å; I241-L272 HydrophobicContact CG1-CD2 4.47Å; H268-L272 WeakPolarHBondContact O-CB 3.44Å; H268-L272 PolarHBondContact O-N 3.38Å; L269-L272 PolarHBondContact O-N 2.87Å; L272-V275 PolarHBondContact O-N 3.04Å; L272-F276 HydrophobicContact CD1-CE2 4.21Å; L272-F276 HydrophobicContact CD2-CD2 4.31Å; L272-F276 HydrophobicContact CD2-CE2 3.85Å; L272-F276 HydrophobicContact CG-CD2 3.93Å; L272-F276 HydrophobicContact CG-CE2 3.69Å; L272-F276 VanDerWaalsContact O-CD2 3.25Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 3.19Å; L272-F276 VanDerWaalsContact O-N 3.08Å |
| 273 | S | 42.5 | Very low | 44.9 | Very low | 24 Ų | 24 | 58.2 Ų | 58.2 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.4 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | L269 L270 V275 F276 I277 | L269-S273 WeakPolarHBondContact O-CB 2.99Å; L269-S273 PolarHBondContact O-N 3.43Å; L269-S273 PolarHBondContact O-OG 3.35Å; L270-S273 WeakPolarHBondContact CA-OG 3.23Å; L270-S273 PolarHBondContact O-OG 3.15Å; S273-V275 VanDerWaalsContact C-N 3.25Å; S273-V275 PolarHBondContact O-N 2.91Å; S273-F276 PolarHBondContact O-N 2.91Å; S273-I277 WeakPolarHBondContact O-CD1 3.37Å; S273-I277 PolarHBondContact O-N 2.82Å |
| 274 | S | 43.2 | Very low | 44.4 | Very low | 61 Ų | 61 | 59.8 Ų | 59.8 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 178.1 | 81.5 | 0 | 0 | 0 | 0 | 113.1 | L270 K271 T278 | L270-S274 PolarHBondContact O-N 3.46Å; L270-S274 VanDerWaalsContact O-N 3.15Å; K271-S274 PolarHBondContact O-N 3.09Å; K271-S274 PolarHBondContact O-OG 2.9Å; K271-S274 VanDerWaalsContact O-OG 3.09Å; S274-T278 WeakPolarHBondContact O-CB 3.46Å; S274-T278 PolarHBondContact O-N 3.48Å; S274-T278 VanDerWaalsContact O-N 3.11Å; S274-T278 PolarHBondContact O-OG1 3Å |
| 275 | V | 42.6 | Very low | 43.8 | Very low | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | I237 K271 L272 S273 T278 L279 | I237-V275 HydrophobicContact CD1-CG1 3.4Å; I237-V275 HydrophobicContact CG1-CG1 3.68Å; K271-V275 WeakPolarHBondContact O-CG2 3.39Å; K271-V275 PolarHBondContact O-N 2.81Å; L272-V275 PolarHBondContact O-N 3.04Å; S273-V275 VanDerWaalsContact C-N 3.25Å; S273-V275 PolarHBondContact O-N 2.91Å; V275-T278 PolarHBondContact O-N 3.27Å; V275-L279 HydrophobicContact CG1-CD1 4.04Å; V275-L279 PolarHBondContact O-N 3.22Å |
| 276 | F | 45.1 | Very low | 43 | Very low | 71 Ų | 71 | 62.4 Ų | 62.4 | 31% | 0.311 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 178.4 | -82.9 | -67.5 | 0 | 0 | 0 | 112.7 | L272 S273 T278 L279 D280 | L272-F276 HydrophobicContact CD1-CE2 4.21Å; L272-F276 HydrophobicContact CD2-CD2 4.31Å; L272-F276 HydrophobicContact CD2-CE2 3.85Å; L272-F276 HydrophobicContact CG-CD2 3.93Å; L272-F276 HydrophobicContact CG-CE2 3.69Å; L272-F276 VanDerWaalsContact O-CD2 3.25Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 3.19Å; L272-F276 VanDerWaalsContact O-N 3.08Å; S273-F276 PolarHBondContact O-N 2.91Å; F276-T278 VanDerWaalsContact C-N 3.29Å; F276-T278 PolarHBondContact O-N 3.02Å; F276-L279 PolarHBondContact O-N 3.02Å; F276-D280 PolarHBondContact O-N 2.93Å |
| 277 | I | 43.3 | Very low | 42.4 | Very low | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.3 | -78.5 | 109.6 | 0 | 0 | 0 | 111.5 | L38 D41 S273 T281 | L38-I277 HydrophobicContact CB-CD1 4.37Å; L38-I277 HydrophobicContact CD2-CB 3.84Å; L38-I277 HydrophobicContact CD2-CD1 3.22Å; L38-I277 HydrophobicContact CD2-CG1 3.54Å; L38-I277 HydrophobicContact CD2-CG2 3.79Å; L38-I277 HydrophobicContact CG-CD1 4.35Å; D41-I277 HydrophobicContact CB-CD1 4.42Å; D41-I277 HydrophobicContact CB-CG1 4.19Å; S273-I277 WeakPolarHBondContact O-CD1 3.37Å; S273-I277 PolarHBondContact O-N 2.82Å; I277-T281 WeakPolarHBondContact O-CB 3.13Å; I277-T281 PolarHBondContact O-N 3Å; I277-T281 PolarHBondContact O-OG1 3.41Å |
| 278 | T | 41.4 | Very low | 41.6 | Very low | 43 Ų | 43 | 66.9 Ų | 66.9 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | I227 A231 S274 V275 F276 L282 | I227-T278 HydrophobicContact CG2-CG2 3.78Å; A231-T278 HydrophobicContact CB-CG2 3.52Å; S274-T278 WeakPolarHBondContact O-CB 3.46Å; S274-T278 PolarHBondContact O-N 3.48Å; S274-T278 VanDerWaalsContact O-N 3.11Å; S274-T278 PolarHBondContact O-OG1 3Å; V275-T278 PolarHBondContact O-N 3.27Å; F276-T278 VanDerWaalsContact C-N 3.29Å; F276-T278 PolarHBondContact O-N 3.02Å; T278-L282 HydrophobicContact CG2-CD1 3.99Å; T278-L282 WeakPolarHBondContact O-CB 3.46Å; T278-L282 WeakPolarHBondContact O-CD1 3.33Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.44Å |
| 279 | L | 43.5 | Very low | 40.8 | Very low | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.9 | -80.4 | 163.2 | 0 | 0 | 0 | 113.4 | I237 V275 F276 L282 R283 | I237-L279 HydrophobicContact CD1-CD1 3.8Å; V275-L279 HydrophobicContact CG1-CD1 4.04Å; V275-L279 PolarHBondContact O-N 3.22Å; F276-L279 PolarHBondContact O-N 3.02Å; L279-L282 PolarHBondContact O-N 2.87Å; L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 PolarHBondContact O-N 2.88Å |
| 280 | D | 43.7 | Very low | 39.9 | Very low | 51 Ų | 51 | 69 Ų | 69 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | -179.6 | -168.9 | 58.8 | 0 | 0 | 0 | 111.7 | F276 R283 R284 | F276-D280 PolarHBondContact O-N 2.93Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R284 WeakPolarHBondContact O-CG 3.47Å; D280-R284 PolarHBondContact O-N 2.76Å; D280-R284 IonicContact OD1-NE 3.4Å; D280-R284 IonicContact OD2-CZ 3.58Å; D280-R284 IonicContact OD2-NE 2.74Å; D280-R284 PolarHBondContact OD2-NE 2.9Å; D280-R284 IonicContact OD2-NH2 2.85Å; D280-R284 PolarHBondContact OD2-NH2 2.92Å |
| 281 | T | 41.5 | Very low | 39.2 | Very low | 56 Ų | 56 | 70.2 Ų | 70.2 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 173 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | I277 R283 R284 F285 | I277-T281 WeakPolarHBondContact O-CB 3.13Å; I277-T281 PolarHBondContact O-N 3Å; I277-T281 PolarHBondContact O-OG1 3.41Å; T281-R283 VanDerWaalsContact C-N 3.32Å; T281-R283 PolarHBondContact O-N 3.15Å; T281-R284 PolarHBondContact O-N 2.97Å; T281-F285 HydrophobicContact CG2-CD2 3.75Å; T281-F285 HydrophobicContact CG2-CE2 3.59Å; T281-F285 WeakPolarHBondContact O-CD2 3.23Å; T281-F285 PolarHBondContact O-N 3.46Å; T281-F285 VanDerWaalsContact O-N 3.09Å |
| 282 | L | 38.2 | Very low | 38.7 | Very low | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.105 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 178.1 | -73.5 | 171 | 0 | 0 | 0 | 113 | F224 Y228 A231 T278 L279 F285 S286 | F224-L282 HydrophobicContact CE1-CD2 4.45Å; F224-L282 HydrophobicContact CE2-CD2 3.65Å; F224-L282 HydrophobicContact CZ-CD2 3.61Å; Y228-L282 HydrophobicContact CD2-CD1 3.86Å; Y228-L282 HydrophobicContact CD2-CD2 4.03Å; Y228-L282 HydrophobicContact CD2-CG 4.42Å; A231-L282 HydrophobicContact CB-CD1 3.8Å; T278-L282 HydrophobicContact CG2-CD1 3.99Å; T278-L282 WeakPolarHBondContact O-CB 3.46Å; T278-L282 WeakPolarHBondContact O-CD1 3.33Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.44Å; L279-L282 PolarHBondContact O-N 2.87Å; L282-F285 PolarHBondContact O-N 3.03Å; L282-S286 PolarHBondContact O-N 2.92Å |
| 283 | R | 40.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 80.8 Ų | 80.8 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 177.2 | -169.2 | 178.2 | -174.3 | 169.5 | 1.5 | 112.4 | L279 D280 T281 F285 S286 | L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 PolarHBondContact O-N 2.88Å; D280-R283 PolarHBondContact O-N 2.8Å; T281-R283 VanDerWaalsContact C-N 3.32Å; T281-R283 PolarHBondContact O-N 3.15Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 2.7Å; R283-S286 PolarHBondContact O-N 2.89Å; R283-S286 PolarHBondContact O-OG 3.36Å |
| 284 | R | 38.9 | Very low | 37.7 | Very low | 92 Ų | 92 | 85.1 Ų | 85.1 | 35% | 0.347 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 175.7 | -68.2 | -179.1 | -167.8 | -170.7 | 8.7 | 112.6 | D280 T281 | D280-R284 WeakPolarHBondContact O-CG 3.47Å; D280-R284 PolarHBondContact O-N 2.76Å; D280-R284 IonicContact OD1-NE 3.4Å; D280-R284 IonicContact OD2-CZ 3.58Å; D280-R284 IonicContact OD2-NE 2.74Å; D280-R284 PolarHBondContact OD2-NE 2.9Å; D280-R284 IonicContact OD2-NH2 2.85Å; D280-R284 PolarHBondContact OD2-NH2 2.92Å; T281-R284 PolarHBondContact O-N 2.97Å |
| 285 | F | 36.4 | Very low | 37.1 | Very low | 68 Ų | 68 | 90.2 Ų | 90.2 | 30% | 0.298 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -80.1 | -31 | 173.7 | -82.6 | -72.9 | 0 | 0 | 0 | 113.5 | H18 T281 L282 R283 D287 E288 | H18-F285 AromaticContact CD2-CE1 3.6Å; H18-F285 AromaticContact CD2-CZ 3.65Å; H18-F285 AromaticContact NE2-CE1 3.25Å; H18-F285 VanDerWaalsContact NE2-CE1 3.25Å; H18-F285 WeakPolarHBondContact NE2-CE1 3.37Å; H18-F285 AromaticContact NE2-CZ 3.78Å; T281-F285 HydrophobicContact CG2-CD2 3.75Å; T281-F285 HydrophobicContact CG2-CE2 3.59Å; T281-F285 WeakPolarHBondContact O-CD2 3.23Å; T281-F285 PolarHBondContact O-N 3.46Å; T281-F285 VanDerWaalsContact O-N 3.09Å; L282-F285 PolarHBondContact O-N 3.03Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 2.7Å; F285-D287 VanDerWaalsContact C-N 3.26Å; F285-D287 PolarHBondContact O-N 3.32Å; F285-E288 PolarHBondContact O-N 2.84Å |
| 286 | S | 32.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 93.6 Ų | 93.6 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.7 | -22.4 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | L282 R283 E288 | L282-S286 PolarHBondContact O-N 2.92Å; R283-S286 PolarHBondContact O-N 2.89Å; R283-S286 PolarHBondContact O-OG 3.36Å; S286-E288 VanDerWaalsContact C-N 3.35Å |
| 287 | D | 34 | Very low | 35.5 | Very low | 135 Ų | 135 | 96.2 Ų | 96.2 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.9 | 179.8 | -67.1 | -15 | 0 | 0 | 0 | 113.1 | F285 | F285-D287 VanDerWaalsContact C-N 3.26Å; F285-D287 PolarHBondContact O-N 3.32Å |
| 288 | E | 33.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -108.6 | -1.5 | -179.9 | -70.2 | -165.9 | 166.3 | 0 | 0 | 114.4 | F285 S286 | F285-E288 PolarHBondContact O-N 2.84Å; S286-E288 VanDerWaalsContact C-N 3.35Å |
| 289 | I | 30.3 | Very low | 34.1 | Very low | 63 Ų | 63 | 106.2 Ų | 106.2 | 32% | 0.323 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -113.6 | 116.5 | 179.1 | -58.1 | 174 | 0 | 0 | 0 | 108.9 | L291 L294 | I289-L291 PolarHBondContact O-N 3.49Å; I289-L291 VanDerWaalsContact O-N 3.16Å; I289-L294 HydrophobicContact CG2-CD1 4.34Å; I289-L294 HydrophobicContact CG2-CG 4.43Å |
| 290 | P | 28.4 | Very low | 33.4 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 50% | 0.5 | 58% | 0.575 | S | S | . | * | trans | -55.2 | 124.4 | 170 | -18.7 | 29.4 | 0 | 0 | 0 | 109.1 | E292 Q293 | P290-E292 PolarHBondContact O-N 2.96Å; P290-Q293 PolarHBondContact O-N 3.41Å | ||
| 291 | L | 31.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 115.4 Ų | 115.4 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -48.8 | -22.9 | -179.6 | -115.6 | 89.6 | 0 | 0 | 0 | 113.5 | I289 Q293 L294 | I289-L291 PolarHBondContact O-N 3.49Å; I289-L291 VanDerWaalsContact O-N 3.16Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3.42Å; L291-L294 PolarHBondContact O-N 2.84Å |
| 292 | E | 35.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 120 Ų | 120 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -70.9 | -15.1 | -179.5 | -64 | 173.1 | 172.9 | 0 | 0 | 114.2 | P290 | P290-E292 PolarHBondContact O-N 2.96Š|
| 293 | Q | 35.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -93.3 | -7.4 | 177.4 | -70.1 | -169.7 | -9.3 | 0 | 0 | 114.5 | P290 L291 | P290-Q293 PolarHBondContact O-N 3.41Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3.42Å |
| 294 | L | 32 | Very low | 30.8 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 60% | 0.602 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -89.5 | 1.7 | -178.8 | -79.3 | 158.9 | 0 | 0 | 0 | 113.7 | I289 L291 | I289-L294 HydrophobicContact CG2-CD1 4.34Å; I289-L294 HydrophobicContact CG2-CG 4.43Å; L291-L294 PolarHBondContact O-N 2.84Å |
| 295 | Q | 30.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -117.1 | 7.1 | -172.4 | -71 | -169 | -12.8 | 0 | 0 | 116.3 | ||
| 296 | T | 28.4 | Very low | 29.9 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | trans | -123.6 | 110.9 | -174 | -3.9 | 0 | 0 | 0 | 0 | 113.1 | V298 | T296-V298 HydrophobicContact CG2-CG2 3.93Å; T296-V298 PolarHBondContact O-N 3.11Å | ||
| 297 | P | 26 | Very low | 29.6 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -80.1 | 104.1 | 170.7 | 31.2 | -27.2 | 0 | 0 | 0 | 108.1 | ||||
| 298 | V | 29.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 72% | 0.719 | S | S | * | * | trans | -130.2 | 90.6 | 179.9 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | T296 | T296-V298 HydrophobicContact CG2-CG2 3.93Å; T296-V298 PolarHBondContact O-N 3.11Å | ||
| 299 | I | 26.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 80% | 0.795 | 73% | 0.727 | S | S | * | * | trans | 10.6 | 117.9 | 137 | -51.5 | 177.1 | 0 | 0 | 0 | 115.9 | ||||
| 300 | L | 27.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -69.4 | 127.5 | 168.4 | -80.4 | 155.7 | 0 | 0 | 0 | 112.2 | ||||
| 301 | T | 29 | Very low | 28.7 | Very low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -149.9 | 110.4 | 145.8 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 302 | D | 26.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | 53.1 | 135.7 | 131.9 | -119.8 | -16.2 | 0 | 0 | 0 | 124.1 | ||||
| 303 | S | 28 | Very low | 28 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | 101.8 | 113.6 | 138 | 82.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 304 | K | 28.2 | Very low | 27.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 79 | 133.7 | 125.6 | -75.3 | 175.7 | -176.6 | 170.1 | 0 | 121 | |||||
| 305 | K | 28.2 | Very low | 27.4 | Very low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 80.9 | 138.2 | 150.6 | -69.5 | 168.3 | 179.7 | -176.7 | 0 | 115 | ||||
| 306 | L | 27.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -161 | 141.2 | 27.3 | -98.8 | 127 | 0 | 0 | 0 | 112.5 | ||||
| 307 | K | 26.2 | Very low | 27.5 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 29 | 129.1 | 137.5 | -61.9 | -175.4 | 178.9 | -178.4 | 0 | 125.6 | ||||
| 308 | H | 25.3 | Very low | 27.9 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 14.9 | 145.3 | 133.4 | -67.9 | -71.4 | 0 | 0 | 0 | 120.8 | ||||
| 309 | T | 24.8 | Very low | 27.8 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -174.9 | 150.8 | 76.8 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 310 | P | 27.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -94.6 | 164.5 | -172.8 | 37.6 | -32.8 | 0 | 0 | 0 | 114.1 | ||||
| 311 | I | 28.5 | Very low | 28.1 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -122.7 | 139.1 | 173.3 | -62.1 | 178.9 | 0 | 0 | 0 | 111 | ||||
| 312 | I | 26.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | -99.8 | 151.7 | -164.3 | -72.3 | 164.9 | 0 | 0 | 0 | 111.6 | ||||
| 313 | S | 27.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 70.2 | 145 | 145.7 | 69.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 314 | G | 27.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 139 | 72.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 315 | N | 26.9 | Very low | 29.3 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 52.9 | 108 | 83.2 | -150.5 | 30 | 0 | 0 | 0 | 112.8 | |||||
| 316 | E | 33.1 | Very low | 29.5 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -167.7 | 126.5 | 133.7 | -106.2 | 168.2 | -156.4 | 0 | 0 | 111.4 | ||||
| 317 | N | 28.1 | Very low | 29.9 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 150.2 | 175.3 | -60.3 | -56.8 | 0 | 0 | 0 | 110.3 | ||||
| 318 | T | 32.9 | Very low | 30.7 | Very low | 139 Ų | 139 | 153 Ų | 153 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -164 | 129.9 | 131.1 | 16.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 319 | D | 27.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -37.5 | 133.3 | 170.2 | -75 | -58.6 | 0 | 0 | 0 | 115.6 | ||||
| 320 | M | 33 | Very low | 32.8 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -137.3 | 90.9 | 147.6 | -86.7 | -63 | -149.1 | 0 | 0 | 109.5 | C322 | M320-C322 PolarHBondContact O-N 2.92Š| ||
| 321 | N | 29 | Very low | 33.8 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -56.1 | 112.4 | 156.7 | -93.4 | -34.8 | 0 | 0 | 0 | 109 | ||||
| 322 | C | 32.5 | Very low | 34.8 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -126.3 | 100.6 | 163.7 | -91.5 | 0 | 0 | 0 | 0 | 108.8 | M320 R324 | M320-C322 PolarHBondContact O-N 2.92Å; C322-R324 PolarHBondContact O-N 3.41Å | ||
| 323 | E | 33.1 | Very low | 36.2 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -46.3 | 120.8 | 171.8 | -64.9 | 178.8 | 152.8 | 0 | 0 | 111 | K325 | E323-K325 VanDerWaalsContact C-N 3.28Å; E323-K325 PolarHBondContact O-N 3.44Å | ||
| 324 | R | 33 | Very low | 37.4 | Very low | 251 Ų | 251 | 144.7 Ų | 144.7 | 95% | 0.947 | 76% | 0.755 | S | S | * | * | trans | -68.7 | 84.6 | 171.4 | -72.5 | 179.1 | 177.3 | 167.4 | -0.3 | 109.5 | C322 G326 | C322-R324 PolarHBondContact O-N 3.41Å; R324-G326 PolarHBondContact O-N 2.88Å; R324-G326 VanDerWaalsContact O-N 3.09Å | ||
| 325 | K | 36.3 | Very low | 38.4 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -69.6 | 101.1 | 160 | -75.1 | -176 | 179.1 | 175.6 | 0 | 108.1 | E323 R327 | E323-K325 VanDerWaalsContact C-N 3.28Å; E323-K325 PolarHBondContact O-N 3.44Å; K325-R327 PolarHBondContact O-N 3.29Å | ||
| 326 | G | 32.7 | Very low | 39.7 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -52.1 | 120.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R324 K328 | R324-G326 PolarHBondContact O-N 2.88Å; R324-G326 VanDerWaalsContact O-N 3.09Å; G326-K328 PolarHBondContact O-N 2.89Å | ||
| 327 | R | 37.4 | Very low | 40.8 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | trans | -70 | 111.6 | 169.9 | -66.1 | -178.2 | -166.8 | 161.7 | 4.6 | 107.3 | K325 L329 | K325-R327 PolarHBondContact O-N 3.29Å; R327-L329 PolarHBondContact O-N 3.19Å | ||
| 328 | K | 42.3 | Very low | 41.6 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 127.6 | 165.2 | -80.6 | 179.8 | 172.6 | -179.4 | 0 | 107.9 | G326 V330 | G326-K328 PolarHBondContact O-N 2.89Å; K328-V330 PolarHBondContact O-N 3.42Å |
| 329 | L | 46.7 | Very low | 42.1 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 90% | 0.901 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 134.7 | 167.2 | -80 | 158 | 0 | 0 | 0 | 108.1 | R327 D331 | R327-L329 PolarHBondContact O-N 3.19Å; L329-D331 PolarHBondContact O-N 3.48Å |
| 330 | V | 48.1 | Very low | 42.7 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.8 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | K328 C334 | K328-V330 PolarHBondContact O-N 3.42Å; V330-C334 HydrophobicContact CG1-CB 3.28Å |
| 331 | D | 47.6 | Very low | 43.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 141.9 | 178.6 | -160.4 | -29.9 | 0 | 0 | 0 | 110.4 | L329 C333 C334 F335 | L329-D331 PolarHBondContact O-N 3.48Å; D331-C333 PolarHBondContact O-N 3.42Å; D331-C333 VanDerWaalsContact O-N 3.11Å; D331-C333 PolarHBondContact OD1-SG 3.21Å; D331-C333 VanDerWaalsContact OD1-SG 3.42Å; D331-C334 WeakPolarHBondContact O-CB 3.42Å; D331-C334 PolarHBondContact O-N 3.43Å; D331-F335 PolarHBondContact O-N 3Å |
| 332 | K | 49.3 | Very low | 43.9 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -53.7 | -36 | -174.4 | -174 | -179.8 | 176.2 | -170.8 | 0 | 111.6 | C334 F335 E336 | K332-C334 VanDerWaalsContact C-N 3.32Å; K332-C334 PolarHBondContact O-N 3.24Å; K332-F335 WeakPolarHBondContact O-CB 3.32Å; K332-F335 PolarHBondContact O-N 3.46Å; K332-E336 VanDerWaalsContact CE-OE1 3.25Å; K332-E336 WeakPolarHBondContact CE-OE1 3.37Å; K332-E336 PolarHBondContact O-N 3.37Å |
| 333 | C | 57.3 | Low | 44.5 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 45% | 0.453 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -64.8 | -31 | 177 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | D331 R337 | D331-C333 PolarHBondContact O-N 3.42Å; D331-C333 VanDerWaalsContact O-N 3.11Å; D331-C333 PolarHBondContact OD1-SG 3.21Å; D331-C333 VanDerWaalsContact OD1-SG 3.42Å; C333-R337 PolarHBondContact O-N 2.87Å |
| 334 | C | 52.3 | Low | 44.8 | Very low | 66 Ų | 66 | 135 Ų | 135 | 45% | 0.446 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -76.8 | -28 | 174.9 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | V330 D331 K332 | V330-C334 HydrophobicContact CG1-CB 3.28Å; D331-C334 WeakPolarHBondContact O-CB 3.42Å; D331-C334 PolarHBondContact O-N 3.43Å; K332-C334 VanDerWaalsContact C-N 3.32Å; K332-C334 PolarHBondContact O-N 3.24Å |
| 335 | F | 48.6 | Very low | 45.1 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.9 | -43.7 | 172.9 | -167.7 | -92.9 | 0 | 0 | 0 | 111.6 | D331 K332 R337 F338 C339 | D331-F335 PolarHBondContact O-N 3Å; K332-F335 WeakPolarHBondContact O-CB 3.32Å; K332-F335 PolarHBondContact O-N 3.46Å; F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.18Å; F335-F338 PolarHBondContact O-N 2.91Å; F335-C339 PolarHBondContact O-N 2.87Å |
| 336 | E | 53.1 | Low | 45 | Very low | 103 Ų | 103 | 125 Ų | 125 | 48% | 0.481 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.5 | -33.3 | 178.2 | -72.4 | 173.2 | -179.1 | 0 | 0 | 112.9 | K332 F338 G340 | K332-E336 VanDerWaalsContact CE-OE1 3.25Å; K332-E336 WeakPolarHBondContact CE-OE1 3.37Å; K332-E336 PolarHBondContact O-N 3.37Å; E336-F338 VanDerWaalsContact C-N 3.26Å; E336-F338 PolarHBondContact O-N 2.98Å; E336-G340 CarbonylContact O-C 3.52Å; E336-G340 PolarHBondContact O-N 2.8Å; E336-G340 VanDerWaalsContact O-N 3.16Å |
| 337 | R | 55.9 | Low | 45 | Very low | 230 Ų | 230 | 129.3 Ų | 129.3 | 87% | 0.868 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.7 | -25.7 | 170.7 | -97.1 | -179.3 | 173.6 | 170.3 | -1.3 | 114 | C333 F335 | C333-R337 PolarHBondContact O-N 2.87Å; F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.18Å |
| 338 | F | 44.9 | Very low | 44.6 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -93.4 | -33.3 | -176 | -146.4 | -86.9 | 0 | 0 | 0 | 112.7 | F335 E336 | F335-F338 PolarHBondContact O-N 2.91Å; E336-F338 VanDerWaalsContact C-N 3.26Å; E336-F338 PolarHBondContact O-N 2.98Å |
| 339 | C | 43.8 | Very low | 44.2 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -96.5 | -3.6 | -178.4 | -66.1 | 0 | 0 | 0 | 0 | 114 | F335 | F335-C339 PolarHBondContact O-N 2.87Å |
| 340 | G | 39.7 | Very low | 43.8 | Very low | 31 Ų | 31 | 117.3 Ų | 117.3 | 32% | 0.32 | 67% | 0.669 | S | S | . | * | trans | 70.5 | 159.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E336 S342 | E336-G340 CarbonylContact O-C 3.52Å; E336-G340 PolarHBondContact O-N 2.8Å; E336-G340 VanDerWaalsContact O-N 3.16Å; G340-S342 PolarHBondContact O-N 3.4Å; G340-S342 VanDerWaalsContact O-N 3.12Å | ||
| 341 | P | 46.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -62.7 | 117 | 173.8 | 25.3 | -30.4 | 0 | 0 | 0 | 108.5 | P343 | P341-P343 VanDerWaalsContact O-CD 3.28Å; P341-P343 WeakPolarHBondContact O-CD 2.95Å | ||
| 342 | S | 41.5 | Very low | 42.6 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | -58.9 | 120.4 | 175.5 | -85.6 | 0 | 0 | 0 | 0 | 109.7 | G340 S344 | G340-S342 PolarHBondContact O-N 3.4Å; G340-S342 VanDerWaalsContact O-N 3.12Å; S342-S344 PolarHBondContact O-N 3.41Å | ||
| 343 | P | 45.8 | Very low | 42.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -71.1 | 111.8 | 165.7 | 25.9 | -22.8 | 0 | 0 | 0 | 107.6 | P341 T345 | P341-P343 VanDerWaalsContact O-CD 3.28Å; P341-P343 WeakPolarHBondContact O-CD 2.95Å; P343-T345 PolarHBondContact O-N 2.92Å; P343-T345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | S | 39.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 22.4 | 79 | 157.6 | 53.9 | 0 | 0 | 0 | 0 | 115.8 | S342 S346 | S342-S344 PolarHBondContact O-N 3.41Å; S344-S346 PolarHBondContact O-N 3.22Å | ||
| 345 | T | 38.1 | Very low | 40.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -66.5 | 115 | 168 | -15 | 0 | 0 | 0 | 0 | 108.5 | P343 | P343-T345 PolarHBondContact O-N 2.92Å; P343-T345 VanDerWaalsContact O-N 3.12Å | ||
| 346 | S | 34.5 | Very low | 40.3 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -59.8 | 145.7 | 169.6 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | S344 C348 | S344-S346 PolarHBondContact O-N 3.22Å; S346-C348 PolarHBondContact O-N 3.31Å | ||
| 347 | I | 31.9 | Very low | 40.2 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 85.5 | 179.1 | -58.3 | 169.3 | 0 | 0 | 0 | 107.6 | T349 | I347-T349 PolarHBondContact O-N 3.45Š| ||
| 348 | C | 29.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 133 Ų | 133 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | -86.5 | 91.2 | 174.6 | -139.1 | 0 | 0 | 0 | 0 | 108.2 | S346 | S346-C348 PolarHBondContact O-N 3.31Š| ||
| 349 | T | 34.8 | Very low | 41.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 129.5 | 169.4 | 6.5 | 0 | 0 | 0 | 0 | 110.3 | I347 V351 | I347-T349 PolarHBondContact O-N 3.45Å; T349-V351 PolarHBondContact O-N 3.02Å; T349-V351 VanDerWaalsContact O-N 3.15Å |
| 350 | P | 38.2 | Very low | 43.5 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121 | -179.5 | 25.1 | -31.5 | 0 | 0 | 0 | 109.9 | R352 | P350-R352 PolarHBondContact O-N 3.03Å; P350-R352 VanDerWaalsContact O-N 3.17Å |
| 351 | V | 34.9 | Very low | 45.8 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.5 | 171.3 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | T349 K353 | T349-V351 PolarHBondContact O-N 3.02Å; T349-V351 VanDerWaalsContact O-N 3.15Å; V351-K353 PolarHBondContact O-N 3.43Å |
| 352 | R | 36 | Very low | 47.7 | Very low | 243 Ų | 243 | 137.7 Ų | 137.7 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | trans | -63.4 | 93.9 | 176.1 | -87.4 | -179.1 | 173.3 | 167.7 | -1.2 | 109.4 | P350 G354 | P350-R352 PolarHBondContact O-N 3.03Å; P350-R352 VanDerWaalsContact O-N 3.17Å; R352-G354 PolarHBondContact O-N 3.02Å | ||
| 353 | K | 39.6 | Very low | 49.9 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -59.7 | 126.3 | 157.5 | -84.9 | -174 | 175.4 | -179.1 | 0 | 107.9 | V351 K355 | V351-K353 PolarHBondContact O-N 3.43Å; K353-K355 PolarHBondContact O-N 2.94Å | ||
| 354 | G | 33.6 | Very low | 51.9 | Low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -52.5 | 107.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R352 E356 | R352-G354 PolarHBondContact O-N 3.02Å; G354-E356 PolarHBondContact O-N 3.16Å; G354-E356 VanDerWaalsContact O-N 3.17Å | ||
| 355 | K | 40.4 | Very low | 54.1 | Low | 193 Ų | 193 | 132.1 Ų | 132.1 | 84% | 0.839 | 67% | 0.669 | S | S | * | * | trans | -67.7 | 113.3 | 173.3 | -68.9 | -179.6 | 178.9 | -179.9 | 0 | 106.9 | K353 K357 | K353-K355 PolarHBondContact O-N 2.94Å; K355-K357 PolarHBondContact O-N 3.09Å | ||
| 356 | E | 45.2 | Very low | 56.1 | Low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -48 | 116.1 | 159.7 | -165.6 | 173.5 | -165.7 | 0 | 0 | 106.6 | G354 V358 | G354-E356 PolarHBondContact O-N 3.16Å; G354-E356 VanDerWaalsContact O-N 3.17Å; E356-V358 PolarHBondContact O-N 2.78Å | ||
| 357 | K | 49.5 | Very low | 57.8 | Low | 198 Ų | 198 | 132.2 Ų | 132.2 | 86% | 0.861 | 66% | 0.656 | S | S | * | * | trans | -70.8 | 85.2 | -174.1 | -77.6 | -176.5 | 179.9 | 176.3 | 0 | 108 | K355 R359 | K355-K357 PolarHBondContact O-N 3.09Å; K357-R359 PolarHBondContact O-N 3.34Å | ||
| 358 | V | 60.2 | Low | 59.5 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 53% | 0.527 | 63% | 0.626 | S | S | . | * | trans | -55.3 | 110.3 | 167 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | E356 K360 I459 | E356-V358 PolarHBondContact O-N 2.78Å; V358-K360 PolarHBondContact O-N 3.26Å; V358-I459 HydrophobicContact CG1-CD1 3.39Å; V358-I459 HydrophobicContact CG1-CG1 3.83Å | ||
| 359 | R | 72 | Confident | 61.2 | Low | 187 Ų | 187 | 129.6 Ų | 129.6 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -65.1 | 129 | 177.7 | -68.3 | -177.2 | 177.3 | -172.9 | -1.2 | 107.4 | K357 P458 I459 | K357-R359 PolarHBondContact O-N 3.34Å; R359-P458 HydrophobicContact CB-CB 3.83Å; R359-P458 CarbonylContact O-C 3.58Å; R359-P458 WeakPolarHBondContact O-CA 3.46Å; R359-I459 PolarHBondContact O-N 3.48Å | ||
| 360 | K | 83.4 | Confident | 62.4 | Low | 148 Ų | 148 | 132.8 Ų | 132.8 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 178.4 | -68.3 | 176.8 | 171.6 | -169.8 | 0 | 108.4 | V358 I461 | V358-K360 PolarHBondContact O-N 3.26Å; K360-I461 HydrophobicContact CB-CD1 3.84Å; K360-I461 HydrophobicContact CD-CD1 3.59Å; K360-I461 HydrophobicContact CG-CD1 3.76Å |
| 361 | Y | 86.7 | Confident | 63.1 | Low | 93 Ų | 93 | 137.5 Ų | 137.5 | 37% | 0.365 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 109.7 | 175.5 | -173.3 | -101.8 | 0 | 0 | 0 | 109.1 | I363 W440 F444 I459 P460 I461 | Y361-I363 HydrophobicContact CD1-CD1 4.17Å; Y361-I363 HydrophobicContact CD1-CG1 3.71Å; Y361-I363 HydrophobicContact CE1-CD1 4.28Å; Y361-I363 HydrophobicContact CE1-CG1 3.78Å; Y361-W440 HydrophobicContact CD1-CZ2 4.4Å; Y361-W440 AromaticContact CD1-NE1 3.96Å; Y361-W440 AromaticContact CE1-NE1 3.88Å; Y361-F444 HydrophobicContact CD2-CE1 4.12Å; Y361-F444 AromaticContact CD2-CZ 3.82Å; Y361-F444 HydrophobicContact CD2-CZ 3.82Å; Y361-F444 HydrophobicContact CE2-CE1 4.34Å; Y361-F444 AromaticContact CE2-CZ 3.96Å; Y361-F444 HydrophobicContact CE2-CZ 3.96Å; Y361-F444 HydrophobicContact CG-CZ 4.19Å; Y361-I459 PolarHBondContact N-O 3.37Å; Y361-P460 CarbonylContact O-C 3.6Å; Y361-P460 WeakPolarHBondContact O-CA 3.11Å; Y361-I461 PolarHBondContact O-N 2.92Å |
| 362 | I | 87 | Confident | 64.2 | Low | 97 Ų | 97 | 134 Ų | 134 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 120.8 | -175.3 | -60.3 | 174 | 0 | 0 | 0 | 109.4 | R364 V463 | I362-R364 HydrophobicContact CG2-CG 4.21Å; I362-V463 HydrophobicContact CG2-CB 4.36Å; I362-V463 HydrophobicContact CG2-CG2 3.83Å |
| 363 | I | 87.6 | Confident | 65.2 | Low | 20 Ų | 20 | 132.2 Ų | 132.2 | 10% | 0.103 | 62% | 0.62 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 112.8 | 175.1 | -54.6 | 179.6 | 0 | 0 | 0 | 107.7 | Y361 L365 E380 P460 I461 I462 V463 | Y361-I363 HydrophobicContact CD1-CD1 4.17Å; Y361-I363 HydrophobicContact CD1-CG1 3.71Å; Y361-I363 HydrophobicContact CE1-CD1 4.28Å; Y361-I363 HydrophobicContact CE1-CG1 3.78Å; I363-L365 HydrophobicContact CG2-CD2 4.2Å; I363-L365 HydrophobicContact CG2-CG 4.46Å; I363-E380 HydrophobicContact CD1-CB 4.13Å; I363-E380 HydrophobicContact CG2-CB 3.83Å; I363-E380 HydrophobicContact CG2-CG 3.98Å; I363-P460 HydrophobicContact CD1-CB 4.04Å; I363-I461 PolarHBondContact N-O 3.09Å; I363-I462 HydrophobicContact CB-CD1 3.93Å; I363-I462 HydrophobicContact CD1-CD1 3.92Å; I363-I462 HydrophobicContact CG1-CD1 4.39Å; I363-I462 HydrophobicContact CG2-CD1 4.19Å; I363-V463 PolarHBondContact O-N 3.49Å |
| 364 | R | 86.6 | Confident | 66.5 | Low | 178 Ų | 178 | 131.8 Ų | 131.8 | 67% | 0.672 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.3 | 178 | -66.2 | 179.8 | -178.6 | -102 | 2 | 109.3 | I362 V463 T465 | I362-R364 HydrophobicContact CG2-CG 4.21Å; R364-V463 WeakPolarHBondContact CA-O 3.41Å; R364-T465 HydrophobicContact CB-CG2 4.36Å; R364-T465 HydrophobicContact CG-CG2 4.35Å |
| 365 | L | 86.2 | Confident | 68.5 | Low | 13 Ų | 13 | 129.8 Ų | 129.8 | 7% | 0.068 | 59% | 0.59 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 147.4 | 172.6 | -62.4 | 179.6 | 0 | 0 | 0 | 110 | I363 T378 E381 I462 V463 R464 T465 | I363-L365 HydrophobicContact CG2-CD2 4.2Å; I363-L365 HydrophobicContact CG2-CG 4.46Å; L365-T378 HydrophobicContact CD1-CG2 4.23Å; L365-E381 HydrophobicContact CD1-CG 3.64Å; L365-I462 HydrophobicContact CD1-CG2 3.55Å; L365-I462 HydrophobicContact CG-CG2 4.17Å; L365-V463 PolarHBondContact N-O 3.41Å; L365-R464 HydrophobicContact CB-CG 4.15Å; L365-T465 PolarHBondContact O-N 2.92Å; L365-T465 PolarHBondContact O-OG1 3.24Å |
| 366 | P | 80.5 | Confident | 70.6 | Confident | 99 Ų | 99 | 124 Ų | 124 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 155.7 | 176.3 | 26.1 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 367 | K | 70.6 | Confident | 72.8 | Confident | 125 Ų | 125 | 118.2 Ų | 118.2 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 139.4 | 171.7 | -168.2 | 177.7 | 176.5 | -175.7 | 0 | 108.7 | E369 T465 | K367-E369 PolarHBondContact O-N 2.85Å; K367-T465 WeakPolarHBondContact CB-O 3.42Å |
| 368 | E | 67.6 | Low | 74.8 | Confident | 46 Ų | 46 | 110.9 Ų | 110.9 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 117.8 | 179.7 | -150.1 | 162.4 | -118.5 | 0 | 0 | 109.7 | W370 T375 R464 | E368-W370 VanDerWaalsContact C-N 3.3Å; E368-W370 HydrophobicContact CG-CB 4.33Å; E368-W370 HydrophobicContact CG-CG 4.34Å; E368-T375 WeakPolarHBondContact OE1-CG2 3.41Å; E368-T375 WeakPolarHBondContact OE2-CB 3.32Å; E368-T375 WeakPolarHBondContact OE2-CG2 3.48Å; E368-T375 PolarHBondContact OE2-OG1 2.93Å; E368-R464 IonicContact OE1-CZ 2.72Å; E368-R464 IonicContact OE1-NH1 3.41Å; E368-R464 PolarHBondContact OE1-NH1 2.81Å; E368-R464 IonicContact OE1-NH2 3.62Å; E368-R464 PolarHBondContact OE1-NH2 3.42Å; E368-R464 IonicContact OE2-NH1 3.37Å |
| 369 | E | 63.7 | Low | 76.3 | Confident | 179 Ų | 179 | 110.4 Ų | 110.4 | 84% | 0.836 | 51% | 0.508 | S | S | * | . | trans | -89 | 2.3 | 178.8 | -64 | -176.1 | 173.2 | 0 | 0 | 113 | K367 K371 | K367-E369 PolarHBondContact O-N 2.85Å; E369-K371 PolarHBondContact O-N 2.8Å | ||
| 370 | W | 60.3 | Low | 77.3 | Confident | 182 Ų | 182 | 104.8 Ų | 104.8 | 69% | 0.689 | 49% | 0.49 | S | S | * | . | trans | -82.6 | 121.7 | -167.8 | -60.8 | 76.8 | 0 | 0 | 0 | 111.3 | E368 S372 | E368-W370 VanDerWaalsContact C-N 3.3Å; E368-W370 HydrophobicContact CG-CB 4.33Å; E368-W370 HydrophobicContact CG-CG 4.34Å; W370-S372 PolarHBondContact O-N 2.76Å | ||
| 371 | K | 54.2 | Low | 77.9 | Confident | 218 Ų | 218 | 97.8 Ų | 97.8 | 95% | 0.948 | 46% | 0.46 | S | S | * | . | trans | -72.9 | 5.1 | 173.3 | -65.2 | -177.1 | 179.6 | 178.7 | 0 | 113.8 | E369 | E369-K371 PolarHBondContact O-N 2.8Š| ||
| 372 | S | 58 | Low | 78.2 | Confident | 64 Ų | 64 | 93.3 Ų | 93.3 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -93.8 | 145.6 | -175.5 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | W370 K374 | W370-S372 PolarHBondContact O-N 2.76Å; S372-K374 PolarHBondContact O-N 3.19Å |
| 373 | H | 57.1 | Low | 78.5 | Confident | 204 Ų | 204 | 89.4 Ų | 89.4 | 94% | 0.944 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -64.4 | -4.7 | -178.6 | -86.2 | -75.3 | 0 | 0 | 0 | 115.2 | ||
| 374 | K | 66.8 | Low | 78.8 | Confident | 182 Ų | 182 | 88.4 Ų | 88.4 | 79% | 0.791 | 42% | 0.417 | S | S | * | . | trans | -129.6 | 92.4 | -175.1 | -69.2 | -174.4 | -179 | 177.8 | 0 | 111.7 | S372 P376 | S372-K374 PolarHBondContact O-N 3.19Å; K374-P376 WeakPolarHBondContact O-CD 3.42Å | ||
| 375 | T | 74.8 | Confident | 79.1 | Confident | 37 Ų | 37 | 80 Ų | 80 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | trans | -51.9 | 112.8 | 165.6 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | E368 R411 | E368-T375 WeakPolarHBondContact OE1-CG2 3.41Å; E368-T375 WeakPolarHBondContact OE2-CB 3.32Å; E368-T375 WeakPolarHBondContact OE2-CG2 3.48Å; E368-T375 PolarHBondContact OE2-OG1 2.93Å; T375-R411 VanDerWaalsContact CG2-NH1 3.25Å; T375-R411 VanDerWaalsContact CG2-NH2 3.27Å; T375-R411 PolarHBondContact O-NH1 3.21Å; T375-R411 PolarHBondContact O-NH2 3.18Å | ||
| 376 | P | 85.4 | Confident | 79.4 | Confident | 73 Ų | 73 | 80 Ų | 80 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 148.6 | 178.2 | 28.1 | -33.8 | 0 | 0 | 0 | 111.5 | K374 R411 | K374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-R411 VanDerWaalsContact C-NH2 3.25Å; P376-R411 PolarHBondContact O-NH2 3.45Å |
| 377 | W | 90.5 | Very high | 79.9 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 125.8 | -179.2 | -78.7 | 82.7 | 0 | 0 | 0 | 111.9 | E381 L385 F406 R411 N415 L416 R419 | W377-E381 WeakPolarHBondContact CA-OE2 3.02Å; W377-E381 HydrophobicContact CE3-CB 3.54Å; W377-E381 HydrophobicContact CZ3-CB 3.84Å; W377-L385 HydrophobicContact CH2-CD2 4.25Å; W377-L385 HydrophobicContact CZ3-CD2 4.18Å; W377-F406 HydrophobicContact CH2-CE1 4.35Å; W377-F406 AromaticContact CZ3-CE1 3.93Å; W377-F406 HydrophobicContact CZ3-CE1 3.93Å; W377-F406 HydrophobicContact CZ3-CZ 4.28Å; W377-R411 HydrophobicContact CH2-CG 4.33Å; W377-N415 HydrophobicContact CZ2-CB 4.1Å; W377-N415 VanDerWaalsContact CZ2-O 3.28Å; W377-N415 WeakPolarHBondContact CZ2-O 3.09Å; W377-L416 HydrophobicContact CH2-CD1 4.07Å; W377-L416 HydrophobicContact CH2-CG 4.27Å; W377-R419 HydrophobicContact CD2-CB 3.89Å; W377-R419 HydrophobicContact CD2-CG 3.44Å; W377-R419 VanDerWaalsContact CD2-CG 3.44Å; W377-R419 HydrophobicContact CE3-CB 4.34Å; W377-R419 HydrophobicContact CE3-CG 3.7Å; W377-R419 HydrophobicContact CG-CB 4.5Å; W377-R419 HydrophobicContact CG-CG 3.91Å; W377-R419 HydrophobicContact CH2-CB 3.89Å; W377-R419 HydrophobicContact CH2-CG 4.09Å; W377-R419 HydrophobicContact CZ2-CB 3.38Å; W377-R419 HydrophobicContact CZ2-CG 3.86Å; W377-R419 HydrophobicContact CZ3-CB 4.33Å; W377-R419 HydrophobicContact CZ3-CG 4.01Å |
| 378 | T | 92.1 | Very high | 80.8 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -81 | 163.3 | 172.6 | 84.1 | 0 | 0 | 0 | 0 | 111.4 | L365 E380 E381 S382 | L365-T378 HydrophobicContact CD1-CG2 4.23Å; T378-E380 VanDerWaalsContact C-N 3.26Å; T378-E380 WeakPolarHBondContact CB-OE2 3.43Å; T378-E380 PolarHBondContact O-N 2.88Å; T378-E380 PolarHBondContact OG1-N 3.03Å; T378-E380 PolarHBondContact OG1-OE2 2.71Å; T378-E381 PolarHBondContact N-OE2 2.68Å; T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 PolarHBondContact OG1-N 3.18Å; T378-S382 PolarHBondContact O-N 3.2Å |
| 379 | I | 92 | Very high | 81.8 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.4 | -168.3 | 61 | 0 | 0 | 0 | 111 | S382 I383 I433 A436 | I379-S382 CarbonylContact O-C 3.54Å; I379-S382 WeakPolarHBondContact O-CB 3.39Å; I379-S382 PolarHBondContact O-N 3.4Å; I379-I383 HydrophobicContact CG1-CD1 4.35Å; I379-I383 WeakPolarHBondContact O-CG1 3.17Å; I379-I383 PolarHBondContact O-N 3.27Å; I379-I433 HydrophobicContact CD1-CG1 4.42Å; I379-A436 HydrophobicContact CD1-CB 3.78Å; I379-A436 HydrophobicContact CG1-CB 3.86Å |
| 380 | E | 92.7 | Very high | 82.8 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 177.8 | -55.6 | 76.1 | -166.8 | 0 | 0 | 111.9 | I363 T378 S382 I383 A384 I462 | I363-E380 HydrophobicContact CD1-CB 4.13Å; I363-E380 HydrophobicContact CG2-CB 3.83Å; I363-E380 HydrophobicContact CG2-CG 3.98Å; T378-E380 VanDerWaalsContact C-N 3.26Å; T378-E380 WeakPolarHBondContact CB-OE2 3.43Å; T378-E380 PolarHBondContact O-N 2.88Å; T378-E380 PolarHBondContact OG1-N 3.03Å; T378-E380 PolarHBondContact OG1-OE2 2.71Å; E380-S382 VanDerWaalsContact C-N 3.28Å; E380-S382 PolarHBondContact O-N 3.08Å; E380-I383 PolarHBondContact O-N 2.99Å; E380-A384 PolarHBondContact O-N 3.04Å; E380-I462 HydrophobicContact CB-CD1 4.46Å |
| 381 | E | 94.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 171.9 | -69.9 | 180 | 129.9 | 0 | 0 | 110.5 | L365 W377 T378 A384 L385 F406 R411 I462 R464 | L365-E381 HydrophobicContact CD1-CG 3.64Å; W377-E381 WeakPolarHBondContact CA-OE2 3.02Å; W377-E381 HydrophobicContact CE3-CB 3.54Å; W377-E381 HydrophobicContact CZ3-CB 3.84Å; T378-E381 PolarHBondContact N-OE2 2.68Å; T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 PolarHBondContact OG1-N 3.18Å; E381-A384 PolarHBondContact O-N 2.82Å; E381-L385 WeakPolarHBondContact O-CB 3.15Å; E381-L385 PolarHBondContact O-N 3.42Å; E381-F406 HydrophobicContact CB-CE1 4.15Å; E381-F406 HydrophobicContact CG-CE1 4.42Å; E381-F406 WeakPolarHBondContact O-CZ 3.42Å; E381-R411 IonicContact OE1-CZ 2.97Å; E381-R411 IonicContact OE1-NE 2.85Å; E381-R411 PolarHBondContact OE1-NE 3.17Å; E381-R411 IonicContact OE1-NH2 2.72Å; E381-R411 PolarHBondContact OE1-NH2 3.04Å; E381-R411 IonicContact OE2-CZ 3.63Å; E381-R411 IonicContact OE2-NE 3.65Å; E381-R411 IonicContact OE2-NH2 3.02Å; E381-R411 PolarHBondContact OE2-NH2 2.95Å; E381-I462 HydrophobicContact CG-CG1 4.35Å; E381-I462 HydrophobicContact CG-CG2 4.15Å; E381-R464 IonicContact OE1-CZ 3.2Å; E381-R464 IonicContact OE1-NE 2.74Å; E381-R464 IonicContact OE1-NH2 2.68Å; E381-R464 PolarHBondContact OE1-NH2 3.01Å; E381-R464 IonicContact OE2-NH2 3.19Å |
| 382 | S | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 175.8 | -93.2 | 0 | 0 | 0 | 0 | 113 | T378 I379 E380 L385 W386 R419 I433 | T378-S382 PolarHBondContact O-N 3.2Å; I379-S382 CarbonylContact O-C 3.54Å; I379-S382 WeakPolarHBondContact O-CB 3.39Å; I379-S382 PolarHBondContact O-N 3.4Å; E380-S382 VanDerWaalsContact C-N 3.28Å; E380-S382 PolarHBondContact O-N 3.08Å; S382-L385 PolarHBondContact O-N 3.44Å; S382-W386 WeakPolarHBondContact O-CB 3.41Å; S382-W386 PolarHBondContact O-N 3.47Å; S382-R419 PolarHBondContact OG-NE 3.38Å; S382-R419 PolarHBondContact OG-NH2 3.46Å; S382-R419 VanDerWaalsContact OG-NH2 3.09Å; S382-I433 WeakPolarHBondContact OG-CD1 3.49Å |
| 383 | I | 92.7 | Very high | 83.8 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 173.5 | -73.5 | 166.8 | 0 | 0 | 0 | 110.5 | I379 E380 L385 W386 H387 A436 Y437 W440 | I379-I383 HydrophobicContact CG1-CD1 4.35Å; I379-I383 WeakPolarHBondContact O-CG1 3.17Å; I379-I383 PolarHBondContact O-N 3.27Å; E380-I383 PolarHBondContact O-N 2.99Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 2.97Å; I383-W386 PolarHBondContact O-N 3.49Å; I383-H387 WeakPolarHBondContact O-CB 3.42Å; I383-H387 PolarHBondContact O-N 2.99Å; I383-A436 HydrophobicContact CD1-CB 4.16Å; I383-A436 HydrophobicContact CG1-CB 4.3Å; I383-Y437 HydrophobicContact CG2-CD2 4.11Å; I383-W440 HydrophobicContact CD1-CB 4.2Å; I383-W440 HydrophobicContact CG2-CB 4.34Å; I383-W440 HydrophobicContact CG2-CD2 3.82Å; I383-W440 HydrophobicContact CG2-CE3 4.01Å; I383-W440 HydrophobicContact CG2-CG 3.97Å |
| 384 | A | 92.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E380 E381 G388 F406 P460 I462 | E380-A384 PolarHBondContact O-N 3.04Å; E381-A384 PolarHBondContact O-N 2.82Å; A384-G388 PolarHBondContact O-N 2.93Å; A384-F406 HydrophobicContact CB-CE2 4.1Å; A384-F406 HydrophobicContact CB-CZ 3.77Å; A384-P460 HydrophobicContact CB-CB 3.98Å; A384-P460 HydrophobicContact CB-CG 3.85Å; A384-I462 HydrophobicContact CB-CD1 3.79Å; A384-I462 HydrophobicContact CB-CG1 3.82Å |
| 385 | L | 93.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.8 | -177.9 | 58.5 | 0 | 0 | 0 | 111.1 | W377 E381 S382 I383 G388 V389 W398 I401 F406 L416 R419 W420 I423 | W377-L385 HydrophobicContact CH2-CD2 4.25Å; W377-L385 HydrophobicContact CZ3-CD2 4.18Å; E381-L385 WeakPolarHBondContact O-CB 3.15Å; E381-L385 PolarHBondContact O-N 3.42Å; S382-L385 PolarHBondContact O-N 3.44Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 2.97Å; L385-G388 PolarHBondContact O-N 3.47Å; L385-V389 HydrophobicContact CD1-CG2 4.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.33Å; L385-V389 PolarHBondContact O-N 3.1Å; L385-W398 HydrophobicContact CD1-CZ3 4.05Å; L385-I401 HydrophobicContact CD1-CG2 4.14Å; L385-F406 HydrophobicContact CB-CE2 4.27Å; L385-F406 HydrophobicContact CB-CZ 3.91Å; L385-L416 HydrophobicContact CD1-CB 4.02Å; L385-L416 HydrophobicContact CD1-CD2 4.23Å; L385-L416 HydrophobicContact CD1-CG 3.94Å; L385-R419 HydrophobicContact CD2-CB 3.92Å; L385-R419 HydrophobicContact CD2-CG 3.71Å; L385-W420 HydrophobicContact CD2-CB 4.34Å; L385-W420 HydrophobicContact CD2-CE3 4.46Å; L385-W420 HydrophobicContact CG-CE3 4.23Å; L385-I423 HydrophobicContact CD2-CD1 4.18Å |
| 386 | W | 92.2 | Very high | 82.2 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 176.7 | -171.3 | -80.1 | 0 | 0 | 0 | 111.7 | S382 I383 G388 V389 M390 W420 I423 K430 I433 R434 Y437 | S382-W386 WeakPolarHBondContact O-CB 3.41Å; S382-W386 PolarHBondContact O-N 3.47Å; I383-W386 PolarHBondContact O-N 3.49Å; W386-G388 VanDerWaalsContact C-N 3.34Å; W386-G388 PolarHBondContact O-N 3.1Å; W386-V389 PolarHBondContact O-N 3.34Å; W386-M390 HydrophobicContact CD2-CE 4.07Å; W386-M390 HydrophobicContact CG-CG 4.38Å; W386-M390 HydrophobicContact CH2-CE 4.07Å; W386-M390 HydrophobicContact CZ2-CE 3.53Å; W386-M390 WeakPolarHBondContact O-CB 3.49Å; W386-M390 VanDerWaalsContact O-CG 3.25Å; W386-M390 WeakPolarHBondContact O-CG 3.27Å; W386-M390 PolarHBondContact O-N 2.82Å; W386-W420 HydrophobicContact CD2-CH2 4.47Å; W386-W420 HydrophobicContact CD2-CZ3 4.39Å; W386-W420 AromaticContact CE3-CH2 3.98Å; W386-W420 HydrophobicContact CE3-CH2 3.98Å; W386-W420 AromaticContact CE3-CZ3 3.83Å; W386-W420 HydrophobicContact CE3-CZ3 3.83Å; W386-W420 HydrophobicContact CZ3-CH2 4.2Å; W386-W420 HydrophobicContact CZ3-CZ3 4.41Å; W386-I423 HydrophobicContact CE3-CG2 4.1Å; W386-I423 HydrophobicContact CZ3-CG2 3.8Å; W386-K430 HydrophobicContact CH2-CG 3.81Å; W386-K430 HydrophobicContact CZ3-CG 3.9Å; W386-I433 HydrophobicContact CB-CG2 4.05Å; W386-I433 HydrophobicContact CD2-CG2 3.98Å; W386-I433 HydrophobicContact CE3-CB 4.25Å; W386-I433 HydrophobicContact CE3-CG2 3.56Å; W386-I433 HydrophobicContact CG-CG2 4.21Å; W386-I433 HydrophobicContact CZ3-CG2 4.29Å; W386-R434 HydrophobicContact CH2-CB 3.97Å; W386-R434 HydrophobicContact CZ2-CB 3.87Å; W386-R434 HydrophobicContact CZ2-CG 4.05Å; W386-Y437 HydrophobicContact CB-CD2 4.37Å; W386-Y437 AromaticContact CD1-CD1 3.56Å; W386-Y437 AromaticContact CD1-CD2 3.6Å; W386-Y437 AromaticContact CD1-CE1 3.9Å; W386-Y437 AromaticContact CD1-CE2 3.98Å; W386-Y437 AromaticContact CD1-CG 3.39Å; W386-Y437 HydrophobicContact CG-CD2 4.27Å; W386-Y437 HydrophobicContact CG-CG 4.2Å; W386-Y437 AromaticContact NE1-CD1 3.65Å; W386-Y437 AromaticContact NE1-CG 3.87Å |
| 387 | H | 90.8 | Very high | 81.8 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.9 | -50.5 | 173.5 | -173.9 | -77.6 | 0 | 0 | 0 | 111.1 | I383 V389 M390 H391 Y437 W440 P460 | I383-H387 WeakPolarHBondContact O-CB 3.42Å; I383-H387 PolarHBondContact O-N 2.99Å; H387-V389 VanDerWaalsContact C-N 3.34Å; H387-V389 PolarHBondContact O-N 3.38Å; H387-M390 PolarHBondContact O-N 2.75Å; H387-H391 AromaticContact CD2-CD2 3.58Å; H387-H391 AromaticContact CD2-NE2 3.82Å; H387-H391 AromaticContact CE1-CD2 3.46Å; H387-H391 PolarHBondContact CE1-CD2 2.85Å; H387-H391 VanDerWaalsContact CE1-CD2 3.46Å; H387-H391 AromaticContact CG-CD2 3.74Å; H387-H391 AromaticContact ND1-CD2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.42Å; H387-H391 PolarHBondContact NE2-CD2 3.2Å; H387-H391 AromaticContact NE2-NE2 3.66Å; H387-H391 WeakPolarHBondContact O-CB 3.39Å; H387-H391 PolarHBondContact O-CD2 2.58Å; H387-H391 PolarHBondContact O-N 2.65Å; H387-Y437 HydrophobicContact CB-CE2 3.82Å; H387-Y437 PolarHBondContact CD2-OH 3.21Å; H387-W440 AromaticContact CD2-CH2 3.92Å; H387-W440 AromaticContact CD2-CZ3 3.85Å; H387-P460 HydrophobicContact CB-CG 3.71Å; H387-P460 VanDerWaalsContact CG-CD 3.45Å |
| 388 | G | 89.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | A384 L385 W386 A392 | A384-G388 PolarHBondContact O-N 2.93Å; L385-G388 PolarHBondContact O-N 3.47Å; W386-G388 VanDerWaalsContact C-N 3.34Å; W386-G388 PolarHBondContact O-N 3.1Å; G388-A392 WeakPolarHBondContact O-CB 3.4Å; G388-A392 PolarHBondContact O-N 2.85Å |
| 389 | V | 89 | Confident | 81.6 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.8 | -36 | 179.7 | 176 | 0 | 0 | 0 | 0 | 112.4 | L385 W386 H387 K396 W398 I401 W420 | L385-V389 HydrophobicContact CD1-CG2 4.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.33Å; L385-V389 PolarHBondContact O-N 3.1Å; W386-V389 PolarHBondContact O-N 3.34Å; H387-V389 VanDerWaalsContact C-N 3.34Å; H387-V389 PolarHBondContact O-N 3.38Å; V389-K396 HydrophobicContact CG1-CG 4.45Å; V389-W398 HydrophobicContact CG2-CZ3 4.14Å; V389-I401 HydrophobicContact CG2-CD1 3.71Å; V389-W420 HydrophobicContact CB-CD2 4.41Å; V389-W420 HydrophobicContact CB-CE3 4.09Å; V389-W420 HydrophobicContact CB-CH2 3.88Å; V389-W420 HydrophobicContact CB-CZ2 4.24Å; V389-W420 HydrophobicContact CB-CZ3 3.81Å; V389-W420 HydrophobicContact CG1-CD2 4.19Å; V389-W420 HydrophobicContact CG1-CE3 4.28Å; V389-W420 HydrophobicContact CG1-CH2 3.57Å; V389-W420 HydrophobicContact CG1-CZ2 3.48Å; V389-W420 VanDerWaalsContact CG1-CZ2 3.48Å; V389-W420 HydrophobicContact CG1-CZ3 3.99Å; V389-W420 HydrophobicContact CG2-CD2 3.87Å; V389-W420 HydrophobicContact CG2-CE3 3.66Å; V389-W420 HydrophobicContact CG2-CH2 4.36Å; V389-W420 HydrophobicContact CG2-CZ3 3.91Å |
| 390 | M | 84.8 | Confident | 81.3 | Confident | 94 Ų | 94 | 38.6 Ų | 38.6 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74.6 | -30.2 | 179.5 | -66.2 | -60 | 154.7 | 0 | 0 | 113.1 | W386 H387 W420 | W386-M390 HydrophobicContact CD2-CE 4.07Å; W386-M390 HydrophobicContact CG-CG 4.38Å; W386-M390 HydrophobicContact CH2-CE 4.07Å; W386-M390 HydrophobicContact CZ2-CE 3.53Å; W386-M390 WeakPolarHBondContact O-CB 3.49Å; W386-M390 VanDerWaalsContact O-CG 3.25Å; W386-M390 WeakPolarHBondContact O-CG 3.27Å; W386-M390 PolarHBondContact O-N 2.82Å; H387-M390 PolarHBondContact O-N 2.75Å; M390-W420 HydrophobicContact CE-CH2 3.8Å; M390-W420 HydrophobicContact CE-CZ2 4.48Å |
| 391 | H | 77.4 | Confident | 81.2 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -106.8 | 2.5 | -176.9 | -63.4 | -75.6 | 0 | 0 | 0 | 114 | H387 P393 Y437 | H387-H391 AromaticContact CD2-CD2 3.58Å; H387-H391 AromaticContact CD2-NE2 3.82Å; H387-H391 AromaticContact CE1-CD2 3.46Å; H387-H391 PolarHBondContact CE1-CD2 2.85Å; H387-H391 VanDerWaalsContact CE1-CD2 3.46Å; H387-H391 AromaticContact CG-CD2 3.74Å; H387-H391 AromaticContact ND1-CD2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.42Å; H387-H391 PolarHBondContact NE2-CD2 3.2Å; H387-H391 AromaticContact NE2-NE2 3.66Å; H387-H391 WeakPolarHBondContact O-CB 3.39Å; H387-H391 PolarHBondContact O-CD2 2.58Å; H387-H391 PolarHBondContact O-N 2.65Å; H391-P393 WeakPolarHBondContact O-CD 3.32Å; H391-Y437 PolarHBondContact NE2-OH 3.43Å |
| 392 | A | 66.3 | Low | 81.1 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -96.5 | 92.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | G388 G394 I401 | G388-A392 WeakPolarHBondContact O-CB 3.4Å; G388-A392 PolarHBondContact O-N 2.85Å; A392-G394 PolarHBondContact O-N 3.28Å; A392-I401 HydrophobicContact CB-CG1 4.42Å |
| 393 | P | 49.9 | Very low | 80.8 | Confident | 115 Ų | 115 | 43.6 Ų | 43.6 | 75% | 0.747 | 24% | 0.244 | S | C | * | . | trans | -64.2 | 134.5 | -179.7 | 26.2 | -33.4 | 0 | 0 | 0 | 110.4 | H391 | H391-P393 WeakPolarHBondContact O-CD 3.32Š| ||
| 394 | G | 49.7 | Very low | 80.7 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 74% | 0.742 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 107.2 | -46.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E81 A392 | E81-G394 VanDerWaalsContact CD-C 3.48Å; E81-G394 WeakPolarHBondContact OE2-CA 3.25Å; A392-G394 PolarHBondContact O-N 3.28Å |
| 395 | S | 51 | Low | 80.6 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -157.2 | 159.5 | 172.3 | 86.1 | 0 | 0 | 0 | 0 | 111.2 | E81 S397 | E81-S395 WeakPolarHBondContact CB-OG 3.36Å; E81-S395 WeakPolarHBondContact CG-OG 3.06Å; E81-S395 WeakPolarHBondContact OE1-CA 3.45Å; E81-S395 WeakPolarHBondContact OE1-CB 3.14Å; E81-S395 PolarHBondContact OE1-N 2.91Å; E81-S395 PolarHBondContact OE1-OG 3.28Å; E81-S395 WeakPolarHBondContact OE2-CB 3.46Å; E81-S395 PolarHBondContact OE2-N 2.92Å; S395-S397 PolarHBondContact O-N 3.46Å |
| 396 | K | 64.2 | Low | 80.5 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | trans | -65.4 | 68.7 | 174.1 | -52.7 | 167 | -176.8 | -179.4 | 0 | 109.3 | V389 W398 W420 D424 | V389-K396 HydrophobicContact CG1-CG 4.45Å; K396-W398 HydrophobicContact CB-CD2 4.09Å; K396-W398 VanDerWaalsContact CB-CE2 3.48Å; K396-W398 HydrophobicContact CB-CE3 4.32Å; K396-W398 HydrophobicContact CB-CH2 3.43Å; K396-W398 VanDerWaalsContact CB-CH2 3.43Å; K396-W398 HydrophobicContact CB-CZ2 3.17Å; K396-W398 HydrophobicContact CB-CZ3 4.01Å; K396-W398 HydrophobicContact CD-CH2 3.71Å; K396-W398 HydrophobicContact CD-CZ2 3.51Å; K396-W398 HydrophobicContact CG-CH2 3.86Å; K396-W398 HydrophobicContact CG-CZ2 3.82Å; K396-W398 VanDerWaalsContact O-CD2 3.3Å; K396-W398 VanDerWaalsContact O-CE2 3.29Å; K396-W398 VanDerWaalsContact O-CG 3.23Å; K396-W398 PolarHBondContact O-N 2.85Å; K396-W398 PolarHBondContact O-NE1 2.96Å; K396-W398 VanDerWaalsContact O-NE1 3.1Å; K396-W420 HydrophobicContact CD-CG 4.41Å; K396-W420 VanDerWaalsContact CE-CD1 3.43Å; K396-W420 VanDerWaalsContact NZ-CD1 3.27Å; K396-D424 IonicContact NZ-OD2 2.82Å; K396-D424 PolarHBondContact NZ-OD2 2.92Å | ||
| 397 | S | 78.1 | Confident | 80.4 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | trans | -68.9 | 79.9 | 179.4 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | S395 S399 Q400 I401 | S395-S397 PolarHBondContact O-N 3.46Å; S397-S399 PolarHBondContact O-N 2.73Å; S397-S399 VanDerWaalsContact O-N 3.17Å; S397-Q400 PolarHBondContact O-N 3.1Å; S397-Q400 VanDerWaalsContact OG-CB 3.31Å; S397-Q400 WeakPolarHBondContact OG-CB 3.27Å; S397-I401 WeakPolarHBondContact O-CG1 3.37Å; S397-I401 PolarHBondContact O-N 3.03Å | ||
| 398 | W | 88.9 | Confident | 80.3 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -34.2 | -175 | -52.5 | 113.1 | 0 | 0 | 0 | 111.2 | L385 V389 K396 I401 W402 Q413 L416 K417 W420 | L385-W398 HydrophobicContact CD1-CZ3 4.05Å; V389-W398 HydrophobicContact CG2-CZ3 4.14Å; K396-W398 HydrophobicContact CB-CD2 4.09Å; K396-W398 VanDerWaalsContact CB-CE2 3.48Å; K396-W398 HydrophobicContact CB-CE3 4.32Å; K396-W398 HydrophobicContact CB-CH2 3.43Å; K396-W398 VanDerWaalsContact CB-CH2 3.43Å; K396-W398 HydrophobicContact CB-CZ2 3.17Å; K396-W398 HydrophobicContact CB-CZ3 4.01Å; K396-W398 HydrophobicContact CD-CH2 3.71Å; K396-W398 HydrophobicContact CD-CZ2 3.51Å; K396-W398 HydrophobicContact CG-CH2 3.86Å; K396-W398 HydrophobicContact CG-CZ2 3.82Å; K396-W398 VanDerWaalsContact O-CD2 3.3Å; K396-W398 VanDerWaalsContact O-CE2 3.29Å; K396-W398 VanDerWaalsContact O-CG 3.23Å; K396-W398 PolarHBondContact O-N 2.85Å; K396-W398 PolarHBondContact O-NE1 2.96Å; K396-W398 VanDerWaalsContact O-NE1 3.1Å; W398-I401 HydrophobicContact CE3-CD1 4.32Å; W398-I401 HydrophobicContact CZ3-CD1 4.48Å; W398-W402 WeakPolarHBondContact O-CA 3.49Å; W398-W402 WeakPolarHBondContact O-CB 3.48Å; W398-W402 PolarHBondContact O-N 2.91Å; W398-Q413 HydrophobicContact CB-CB 3.99Å; W398-L416 HydrophobicContact CE3-CB 3.84Å; W398-L416 HydrophobicContact CZ3-CB 4.37Å; W398-K417 HydrophobicContact CD2-CB 3.85Å; W398-K417 HydrophobicContact CD2-CG 4.42Å; W398-K417 HydrophobicContact CE3-CB 4.46Å; W398-K417 HydrophobicContact CG-CB 4.18Å; W398-K417 HydrophobicContact CH2-CB 4.49Å; W398-K417 HydrophobicContact CZ2-CB 3.84Å; W398-K417 HydrophobicContact CZ2-CG 3.7Å; W398-W420 HydrophobicContact CH2-CB 3.28Å; W398-W420 AromaticContact CH2-CD1 3.88Å; W398-W420 AromaticContact CH2-CG 3.55Å; W398-W420 HydrophobicContact CH2-CG 3.55Å; W398-W420 HydrophobicContact CZ2-CB 4.3Å; W398-W420 HydrophobicContact CZ3-CB 3.79Å; W398-W420 HydrophobicContact CZ3-CG 4.25Å |
| 399 | S | 87.6 | Confident | 80.1 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.6 | -52.8 | 171.8 | 163.1 | 0 | 0 | 0 | 0 | 112 | S397 W402 H403 | S397-S399 PolarHBondContact O-N 2.73Å; S397-S399 VanDerWaalsContact O-N 3.17Å; S399-W402 PolarHBondContact O-N 3.43Å; S399-H403 WeakPolarHBondContact O-CB 3.06Å; S399-H403 PolarHBondContact O-N 2.64Å |
| 400 | Q | 87 | Confident | 79.9 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.2 | -47.5 | -178.1 | -178.6 | 174.4 | -17.3 | 0 | 0 | 111.6 | S397 W402 H403 Q404 | S397-Q400 PolarHBondContact O-N 3.1Å; S397-Q400 VanDerWaalsContact OG-CB 3.31Å; S397-Q400 WeakPolarHBondContact OG-CB 3.27Å; Q400-W402 VanDerWaalsContact C-N 3.26Å; Q400-W402 PolarHBondContact O-N 3.02Å; Q400-H403 PolarHBondContact O-N 3.27Å; Q400-H403 VanDerWaalsContact O-N 3.15Å; Q400-Q404 HydrophobicContact CG-CG 4.35Å; Q400-Q404 WeakPolarHBondContact O-CB 3.43Å; Q400-Q404 VanDerWaalsContact O-CG 3.28Å; Q400-Q404 WeakPolarHBondContact O-CG 3.21Å; Q400-Q404 PolarHBondContact O-N 3.46Å |
| 401 | I | 90.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 177 | -61.4 | 169.2 | 0 | 0 | 0 | 109.9 | L385 V389 A392 S397 W398 Q404 S405 F406 L416 | L385-I401 HydrophobicContact CD1-CG2 4.14Å; V389-I401 HydrophobicContact CG2-CD1 3.71Å; A392-I401 HydrophobicContact CB-CG1 4.42Å; S397-I401 WeakPolarHBondContact O-CG1 3.37Å; S397-I401 PolarHBondContact O-N 3.03Å; W398-I401 HydrophobicContact CE3-CD1 4.32Å; W398-I401 HydrophobicContact CZ3-CD1 4.48Å; I401-Q404 PolarHBondContact O-N 2.77Å; I401-S405 PolarHBondContact O-N 3.41Å; I401-F406 HydrophobicContact CG2-CD2 4.21Å; I401-F406 HydrophobicContact CG2-CE2 4.07Å; I401-L416 HydrophobicContact CB-CD2 4.23Å; I401-L416 HydrophobicContact CG2-CD2 3.79Å |
| 402 | W | 92.7 | Very high | 80.8 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -62 | -47.3 | 176.4 | -179.7 | 80.9 | 0 | 0 | 0 | 111.5 | W398 S399 Q400 Q404 F406 R407 R411 Q413 L416 | W398-W402 WeakPolarHBondContact O-CA 3.49Å; W398-W402 WeakPolarHBondContact O-CB 3.48Å; W398-W402 PolarHBondContact O-N 2.91Å; S399-W402 PolarHBondContact O-N 3.43Å; Q400-W402 VanDerWaalsContact C-N 3.26Å; Q400-W402 PolarHBondContact O-N 3.02Å; W402-Q404 VanDerWaalsContact C-N 3.32Å; W402-Q404 PolarHBondContact O-N 2.81Å; W402-F406 HydrophobicContact CG-CB 4.48Å; W402-F406 CarbonylContact O-C 3.6Å; W402-F406 WeakPolarHBondContact O-CA 3.31Å; W402-F406 PolarHBondContact O-N 3.35Å; W402-R407 HydrophobicContact CH2-CG 4.31Å; W402-R407 PolarHBondContact O-N 3.31Å; W402-R411 PolarHBondContact NE1-O 3.09Å; W402-Q413 HydrophobicContact CB-CG 3.76Å; W402-Q413 HydrophobicContact CD2-CG 4.29Å; W402-Q413 HydrophobicContact CG-CG 3.87Å; W402-L416 HydrophobicContact CB-CD2 4.01Å |
| 403 | H | 89 | Confident | 82 | Confident | 105 Ų | 105 | 60.2 Ų | 60.2 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -63.8 | -37.9 | -179.7 | -158.9 | 90.3 | 0 | 0 | 0 | 112.8 | S399 Q400 R407 | S399-H403 WeakPolarHBondContact O-CB 3.06Å; S399-H403 PolarHBondContact O-N 2.64Å; Q400-H403 PolarHBondContact O-N 3.27Å; Q400-H403 VanDerWaalsContact O-N 3.15Å; H403-R407 PolarHBondContact CE1-NH1 3.02Å; H403-R407 PolarHBondContact NE2-NH1 3.47Å; H403-R407 VanDerWaalsContact NE2-NH1 3.12Å |
| 404 | Q | 89.1 | Confident | 83.9 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -76.9 | -44.2 | -177.7 | -71.8 | 179.2 | -12.7 | 0 | 0 | 112.3 | Q400 I401 W402 I459 | Q400-Q404 HydrophobicContact CG-CG 4.35Å; Q400-Q404 WeakPolarHBondContact O-CB 3.43Å; Q400-Q404 VanDerWaalsContact O-CG 3.28Å; Q400-Q404 WeakPolarHBondContact O-CG 3.21Å; Q400-Q404 PolarHBondContact O-N 3.46Å; I401-Q404 PolarHBondContact O-N 2.77Å; W402-Q404 VanDerWaalsContact C-N 3.32Å; W402-Q404 PolarHBondContact O-N 2.81Å; Q404-I459 HydrophobicContact CB-CG2 4.46Å |
| 405 | S | 91.1 | Very high | 86 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -118.7 | -23.7 | -166.1 | -67.5 | 0 | 0 | 0 | 0 | 115.2 | I401 P460 I462 | I401-S405 PolarHBondContact O-N 3.41Å; S405-P460 WeakPolarHBondContact CB-O 3.44Å; S405-P460 PolarHBondContact OG-O 3.46Å; S405-I462 PolarHBondContact O-N 3.24Å |
| 406 | F | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -124.5 | 4 | -169 | -64.9 | -92.6 | 0 | 0 | 0 | 114.7 | W377 E381 A384 L385 I401 W402 H408 S409 R411 L416 I462 | W377-F406 HydrophobicContact CH2-CE1 4.35Å; W377-F406 AromaticContact CZ3-CE1 3.93Å; W377-F406 HydrophobicContact CZ3-CE1 3.93Å; W377-F406 HydrophobicContact CZ3-CZ 4.28Å; E381-F406 HydrophobicContact CB-CE1 4.15Å; E381-F406 HydrophobicContact CG-CE1 4.42Å; E381-F406 WeakPolarHBondContact O-CZ 3.42Å; A384-F406 HydrophobicContact CB-CE2 4.1Å; A384-F406 HydrophobicContact CB-CZ 3.77Å; L385-F406 HydrophobicContact CB-CE2 4.27Å; L385-F406 HydrophobicContact CB-CZ 3.91Å; I401-F406 HydrophobicContact CG2-CD2 4.21Å; I401-F406 HydrophobicContact CG2-CE2 4.07Å; W402-F406 HydrophobicContact CG-CB 4.48Å; W402-F406 CarbonylContact O-C 3.6Å; W402-F406 WeakPolarHBondContact O-CA 3.31Å; W402-F406 PolarHBondContact O-N 3.35Å; F406-H408 PolarHBondContact O-N 3.1Å; F406-S409 WeakPolarHBondContact CB-OG 3.41Å; F406-S409 WeakPolarHBondContact CD1-OG 3.49Å; F406-S409 PolarHBondContact O-N 3.24Å; F406-S409 PolarHBondContact O-OG 3.42Å; F406-S409 VanDerWaalsContact O-OG 3.04Å; F406-R411 HydrophobicContact CD1-CB 4.26Å; F406-R411 HydrophobicContact CD1-CG 4.12Å; F406-L416 HydrophobicContact CB-CD1 4.23Å; F406-L416 HydrophobicContact CD1-CD1 4.21Å; F406-L416 HydrophobicContact CD2-CD1 4.29Å; F406-L416 HydrophobicContact CD2-CD2 3.71Å; F406-L416 HydrophobicContact CD2-CG 4.19Å; F406-L416 HydrophobicContact CE2-CD2 4.14Å; F406-L416 HydrophobicContact CE2-CG 4.38Å; F406-L416 HydrophobicContact CG-CD1 3.99Å; F406-L416 HydrophobicContact CG-CD2 4.19Å; F406-L416 HydrophobicContact CG-CG 4.39Å; F406-I462 HydrophobicContact CD1-CB 4.36Å; F406-I462 HydrophobicContact CD1-CG1 4.09Å; F406-I462 HydrophobicContact CE1-CG1 3.83Å; F406-I462 HydrophobicContact CZ-CG1 4.34Å |
| 407 | R | 89.7 | Confident | 89.3 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24.5 | -178.1 | -172.7 | 172.5 | -178.7 | 165.4 | 0.5 | 113.3 | W402 H403 | W402-R407 HydrophobicContact CH2-CG 4.31Å; W402-R407 PolarHBondContact O-N 3.31Å; H403-R407 PolarHBondContact CE1-NH1 3.02Å; H403-R407 PolarHBondContact NE2-NH1 3.47Å; H403-R407 VanDerWaalsContact NE2-NH1 3.12Å |
| 408 | H | 88.1 | Confident | 90 | Very high | 109 Ų | 109 | 62.1 Ų | 62.1 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 20.8 | -178.1 | -54.9 | -65.2 | 0 | 0 | 0 | 113.7 | F406 I462 V463 R464 | F406-H408 PolarHBondContact O-N 3.1Å; H408-I462 CarbonylContact C-O 3.57Å; H408-V463 HydrophobicContact CB-CB 4.44Å; H408-V463 HydrophobicContact CB-CG1 4.28Å; H408-V463 HydrophobicContact CB-CG2 4.16Å; H408-R464 PolarHBondContact O-N 2.84Å |
| 409 | S | 85.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -110.8 | 6.6 | -170.7 | 81.1 | 0 | 0 | 0 | 0 | 115.7 | F406 R411 I462 R464 | F406-S409 WeakPolarHBondContact CB-OG 3.41Å; F406-S409 WeakPolarHBondContact CD1-OG 3.49Å; F406-S409 PolarHBondContact O-N 3.24Å; F406-S409 PolarHBondContact O-OG 3.42Å; F406-S409 VanDerWaalsContact O-OG 3.04Å; S409-R411 PolarHBondContact O-N 3.03Å; S409-R411 VanDerWaalsContact O-N 3.08Å; S409-R411 WeakPolarHBondContact OG-CB 3.21Å; S409-R411 VanDerWaalsContact OG-CG 3.32Å; S409-R411 WeakPolarHBondContact OG-CG 3.42Å; S409-R411 PolarHBondContact OG-N 3.15Å; S409-I462 VanDerWaalsContact CB-CG2 3.41Å; S409-R464 VanDerWaalsContact O-CD 3.23Å; S409-R464 WeakPolarHBondContact O-CD 3.27Å; S409-R464 PolarHBondContact O-NE 3.34Å |
| 410 | N | 86 | Confident | 90.5 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 65% | 0.647 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 59.8 | 5.2 | -169 | -58.7 | -15.7 | 0 | 0 | 0 | 115.6 | ||
| 411 | R | 89.9 | Confident | 90.7 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | trans | -84.6 | 145.5 | 174.3 | -60.3 | -63.8 | -171.4 | 174.4 | 0.1 | 109.8 | T375 P376 W377 E381 W402 F406 S409 N415 L416 | T375-R411 VanDerWaalsContact CG2-NH1 3.25Å; T375-R411 VanDerWaalsContact CG2-NH2 3.27Å; T375-R411 PolarHBondContact O-NH1 3.21Å; T375-R411 PolarHBondContact O-NH2 3.18Å; P376-R411 VanDerWaalsContact C-NH2 3.25Å; P376-R411 PolarHBondContact O-NH2 3.45Å; W377-R411 HydrophobicContact CH2-CG 4.33Å; E381-R411 IonicContact OE1-CZ 2.97Å; E381-R411 IonicContact OE1-NE 2.85Å; E381-R411 PolarHBondContact OE1-NE 3.17Å; E381-R411 IonicContact OE1-NH2 2.72Å; E381-R411 PolarHBondContact OE1-NH2 3.04Å; E381-R411 IonicContact OE2-CZ 3.63Å; E381-R411 IonicContact OE2-NE 3.65Å; E381-R411 IonicContact OE2-NH2 3.02Å; E381-R411 PolarHBondContact OE2-NH2 2.95Å; W402-R411 PolarHBondContact NE1-O 3.09Å; F406-R411 HydrophobicContact CD1-CB 4.26Å; F406-R411 HydrophobicContact CD1-CG 4.12Å; S409-R411 PolarHBondContact O-N 3.03Å; S409-R411 VanDerWaalsContact O-N 3.08Å; S409-R411 WeakPolarHBondContact OG-CB 3.21Å; S409-R411 VanDerWaalsContact OG-CG 3.32Å; S409-R411 WeakPolarHBondContact OG-CG 3.42Å; S409-R411 PolarHBondContact OG-N 3.15Å; R411-N415 HydrophobicContact CB-CB 4.47Å; R411-L416 HydrophobicContact CB-CD1 3.68Å | ||
| 412 | S | 90.5 | Very high | 90.8 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | trans | -98 | 162.8 | 168.2 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | V414 N415 L416 | S412-V414 PolarHBondContact O-N 3.28Å; S412-N415 WeakPolarHBondContact CB-OD1 3.37Å; S412-N415 PolarHBondContact N-OD1 3.25Å; S412-N415 WeakPolarHBondContact O-CB 3.43Å; S412-N415 PolarHBondContact O-N 3.01Å; S412-N415 VanDerWaalsContact OG-CG 3.24Å; S412-N415 PolarHBondContact OG-N 3.3Å; S412-N415 PolarHBondContact OG-OD1 3.44Å; S412-L416 WeakPolarHBondContact O-CD1 3.33Å; S412-L416 PolarHBondContact O-N 2.93Å; S412-L416 VanDerWaalsContact O-N 3.16Å | ||
| 413 | Q | 91.9 | Very high | 90.8 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.8 | -34.7 | 173 | -62.3 | 176.4 | 17.6 | 0 | 0 | 112.4 | W398 W402 L416 K417 | W398-Q413 HydrophobicContact CB-CB 3.99Å; W402-Q413 HydrophobicContact CB-CG 3.76Å; W402-Q413 HydrophobicContact CD2-CG 4.29Å; W402-Q413 HydrophobicContact CG-CG 3.87Å; Q413-L416 PolarHBondContact O-N 3.42Å; Q413-K417 PolarHBondContact O-N 2.96Å; Q413-K417 VanDerWaalsContact O-N 3.11Å |
| 414 | V | 90.1 | Very high | 90.8 | Very high | 92 Ų | 92 | 62.1 Ų | 62.1 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | S412 L416 K417 D418 | S412-V414 PolarHBondContact O-N 3.28Å; V414-L416 VanDerWaalsContact C-N 3.3Å; V414-L416 PolarHBondContact O-N 2.95Å; V414-K417 PolarHBondContact O-N 3.11Å; V414-D418 PolarHBondContact O-N 3.24Å |
| 415 | N | 92.8 | Very high | 90.9 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.4 | -56.5 | 128.8 | 0 | 0 | 0 | 111.8 | W377 R411 S412 D418 R419 | W377-N415 HydrophobicContact CZ2-CB 4.1Å; W377-N415 VanDerWaalsContact CZ2-O 3.28Å; W377-N415 WeakPolarHBondContact CZ2-O 3.09Å; R411-N415 HydrophobicContact CB-CB 4.47Å; S412-N415 WeakPolarHBondContact CB-OD1 3.37Å; S412-N415 PolarHBondContact N-OD1 3.25Å; S412-N415 WeakPolarHBondContact O-CB 3.43Å; S412-N415 PolarHBondContact O-N 3.01Å; S412-N415 VanDerWaalsContact OG-CG 3.24Å; S412-N415 PolarHBondContact OG-N 3.3Å; S412-N415 PolarHBondContact OG-OD1 3.44Å; N415-D418 PolarHBondContact O-N 3.23Å; N415-R419 WeakPolarHBondContact O-CB 3.17Å; N415-R419 PolarHBondContact O-N 3.39Å |
| 416 | L | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.8 | -84.8 | 63.5 | 0 | 0 | 0 | 110.9 | W377 L385 W398 I401 W402 F406 R411 S412 Q413 V414 R419 W420 | W377-L416 HydrophobicContact CH2-CD1 4.07Å; W377-L416 HydrophobicContact CH2-CG 4.27Å; L385-L416 HydrophobicContact CD1-CB 4.02Å; L385-L416 HydrophobicContact CD1-CD2 4.23Å; L385-L416 HydrophobicContact CD1-CG 3.94Å; W398-L416 HydrophobicContact CE3-CB 3.84Å; W398-L416 HydrophobicContact CZ3-CB 4.37Å; I401-L416 HydrophobicContact CB-CD2 4.23Å; I401-L416 HydrophobicContact CG2-CD2 3.79Å; W402-L416 HydrophobicContact CB-CD2 4.01Å; F406-L416 HydrophobicContact CB-CD1 4.23Å; F406-L416 HydrophobicContact CD1-CD1 4.21Å; F406-L416 HydrophobicContact CD2-CD1 4.29Å; F406-L416 HydrophobicContact CD2-CD2 3.71Å; F406-L416 HydrophobicContact CD2-CG 4.19Å; F406-L416 HydrophobicContact CE2-CD2 4.14Å; F406-L416 HydrophobicContact CE2-CG 4.38Å; F406-L416 HydrophobicContact CG-CD1 3.99Å; F406-L416 HydrophobicContact CG-CD2 4.19Å; F406-L416 HydrophobicContact CG-CG 4.39Å; R411-L416 HydrophobicContact CB-CD1 3.68Å; S412-L416 WeakPolarHBondContact O-CD1 3.33Å; S412-L416 PolarHBondContact O-N 2.93Å; S412-L416 VanDerWaalsContact O-N 3.16Å; Q413-L416 PolarHBondContact O-N 3.42Å; V414-L416 VanDerWaalsContact C-N 3.3Å; V414-L416 PolarHBondContact O-N 2.95Å; L416-R419 PolarHBondContact O-N 3Å; L416-W420 WeakPolarHBondContact O-CB 3.26Å; L416-W420 PolarHBondContact O-N 3.32Å |
| 417 | K | 91.9 | Very high | 90.9 | Very high | 122 Ų | 122 | 71.5 Ų | 71.5 | 53% | 0.53 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 178 | -175.7 | 175.6 | -178.2 | 179.9 | 0 | 112.2 | W398 Q413 V414 W420 R421 | W398-K417 HydrophobicContact CD2-CB 3.85Å; W398-K417 HydrophobicContact CD2-CG 4.42Å; W398-K417 HydrophobicContact CE3-CB 4.46Å; W398-K417 HydrophobicContact CG-CB 4.18Å; W398-K417 HydrophobicContact CH2-CB 4.49Å; W398-K417 HydrophobicContact CZ2-CB 3.84Å; W398-K417 HydrophobicContact CZ2-CG 3.7Å; Q413-K417 PolarHBondContact O-N 2.96Å; Q413-K417 VanDerWaalsContact O-N 3.11Å; V414-K417 PolarHBondContact O-N 3.11Å; K417-W420 PolarHBondContact O-N 3.48Å; K417-R421 PolarHBondContact O-N 3.42Å |
| 418 | D | 92.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -179.9 | -71 | -21.3 | 0 | 0 | 0 | 111.6 | V414 N415 R421 V422 | V414-D418 PolarHBondContact O-N 3.24Å; N415-D418 PolarHBondContact O-N 3.23Å; D418-R421 WeakPolarHBondContact O-CB 3.47Å; D418-R421 PolarHBondContact O-N 3.16Å; D418-V422 PolarHBondContact O-N 3.39Å |
| 419 | R | 93.9 | Very high | 91.2 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.7 | -180 | 59.2 | 168.7 | 176.1 | -0.4 | 111.6 | W377 S382 L385 N415 L416 R421 V422 I423 | W377-R419 HydrophobicContact CD2-CB 3.89Å; W377-R419 HydrophobicContact CD2-CG 3.44Å; W377-R419 VanDerWaalsContact CD2-CG 3.44Å; W377-R419 HydrophobicContact CE3-CB 4.34Å; W377-R419 HydrophobicContact CE3-CG 3.7Å; W377-R419 HydrophobicContact CG-CB 4.5Å; W377-R419 HydrophobicContact CG-CG 3.91Å; W377-R419 HydrophobicContact CH2-CB 3.89Å; W377-R419 HydrophobicContact CH2-CG 4.09Å; W377-R419 HydrophobicContact CZ2-CB 3.38Å; W377-R419 HydrophobicContact CZ2-CG 3.86Å; W377-R419 HydrophobicContact CZ3-CB 4.33Å; W377-R419 HydrophobicContact CZ3-CG 4.01Å; S382-R419 PolarHBondContact OG-NE 3.38Å; S382-R419 PolarHBondContact OG-NH2 3.46Å; S382-R419 VanDerWaalsContact OG-NH2 3.09Å; L385-R419 HydrophobicContact CD2-CB 3.92Å; L385-R419 HydrophobicContact CD2-CG 3.71Å; N415-R419 WeakPolarHBondContact O-CB 3.17Å; N415-R419 PolarHBondContact O-N 3.39Å; L416-R419 PolarHBondContact O-N 3Å; R419-R421 VanDerWaalsContact C-N 3.27Å; R419-R421 PolarHBondContact O-N 3.44Å; R419-V422 WeakPolarHBondContact O-CB 3.25Å; R419-V422 PolarHBondContact O-N 2.61Å; R419-V422 VanDerWaalsContact O-N 3.1Å; R419-I423 HydrophobicContact CG-CD1 3.98Å; R419-I423 HydrophobicContact CG-CG1 4.47Å; R419-I423 WeakPolarHBondContact O-CG1 2.87Å; R419-I423 PolarHBondContact O-N 2.77Å |
| 420 | W | 92.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 178.2 | -175.9 | -92.5 | 0 | 0 | 0 | 111.6 | L385 W386 V389 M390 K396 W398 L416 K417 V422 I423 D424 | L385-W420 HydrophobicContact CD2-CB 4.34Å; L385-W420 HydrophobicContact CD2-CE3 4.46Å; L385-W420 HydrophobicContact CG-CE3 4.23Å; W386-W420 HydrophobicContact CD2-CH2 4.47Å; W386-W420 HydrophobicContact CD2-CZ3 4.39Å; W386-W420 AromaticContact CE3-CH2 3.98Å; W386-W420 HydrophobicContact CE3-CH2 3.98Å; W386-W420 AromaticContact CE3-CZ3 3.83Å; W386-W420 HydrophobicContact CE3-CZ3 3.83Å; W386-W420 HydrophobicContact CZ3-CH2 4.2Å; W386-W420 HydrophobicContact CZ3-CZ3 4.41Å; V389-W420 HydrophobicContact CB-CD2 4.41Å; V389-W420 HydrophobicContact CB-CE3 4.09Å; V389-W420 HydrophobicContact CB-CH2 3.88Å; V389-W420 HydrophobicContact CB-CZ2 4.24Å; V389-W420 HydrophobicContact CB-CZ3 3.81Å; V389-W420 HydrophobicContact CG1-CD2 4.19Å; V389-W420 HydrophobicContact CG1-CE3 4.28Å; V389-W420 HydrophobicContact CG1-CH2 3.57Å; V389-W420 HydrophobicContact CG1-CZ2 3.48Å; V389-W420 VanDerWaalsContact CG1-CZ2 3.48Å; V389-W420 HydrophobicContact CG1-CZ3 3.99Å; V389-W420 HydrophobicContact CG2-CD2 3.87Å; V389-W420 HydrophobicContact CG2-CE3 3.66Å; V389-W420 HydrophobicContact CG2-CH2 4.36Å; V389-W420 HydrophobicContact CG2-CZ3 3.91Å; M390-W420 HydrophobicContact CE-CH2 3.8Å; M390-W420 HydrophobicContact CE-CZ2 4.48Å; K396-W420 HydrophobicContact CD-CG 4.41Å; K396-W420 VanDerWaalsContact CE-CD1 3.43Å; K396-W420 VanDerWaalsContact NZ-CD1 3.27Å; W398-W420 HydrophobicContact CH2-CB 3.28Å; W398-W420 AromaticContact CH2-CD1 3.88Å; W398-W420 AromaticContact CH2-CG 3.55Å; W398-W420 HydrophobicContact CH2-CG 3.55Å; W398-W420 HydrophobicContact CZ2-CB 4.3Å; W398-W420 HydrophobicContact CZ3-CB 3.79Å; W398-W420 HydrophobicContact CZ3-CG 4.25Å; L416-W420 WeakPolarHBondContact O-CB 3.26Å; L416-W420 PolarHBondContact O-N 3.32Å; K417-W420 PolarHBondContact O-N 3.48Å; W420-V422 VanDerWaalsContact C-N 3.27Å; W420-V422 PolarHBondContact O-N 3.36Å; W420-I423 HydrophobicContact CE3-CD1 4.32Å; W420-I423 HydrophobicContact CZ3-CG2 4.42Å; W420-I423 PolarHBondContact O-N 2.84Å; W420-I423 VanDerWaalsContact O-N 3.09Å; W420-D424 PolarHBondContact NE1-OD2 3.09Å; W420-D424 WeakPolarHBondContact O-CB 3.4Å; W420-D424 PolarHBondContact O-N 3.4Å |
| 421 | R | 91.9 | Very high | 91.8 | Very high | 172 Ų | 172 | 67.4 Ų | 67.4 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.9 | -39.5 | 174.6 | -173 | 179.6 | 178.2 | -176.4 | -0 | 112.3 | K417 D418 R419 N425 | K417-R421 PolarHBondContact O-N 3.42Å; D418-R421 WeakPolarHBondContact O-CB 3.47Å; D418-R421 PolarHBondContact O-N 3.16Å; R419-R421 VanDerWaalsContact C-N 3.27Å; R419-R421 PolarHBondContact O-N 3.44Å; R421-N425 VanDerWaalsContact O-CB 3.27Å; R421-N425 WeakPolarHBondContact O-CB 3.25Å; R421-N425 PolarHBondContact O-N 2.76Å; R421-N425 VanDerWaalsContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.74Å |
| 422 | V | 92.7 | Very high | 92 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | D418 R419 W420 S426 I429 | D418-V422 PolarHBondContact O-N 3.39Å; R419-V422 WeakPolarHBondContact O-CB 3.25Å; R419-V422 PolarHBondContact O-N 2.61Å; R419-V422 VanDerWaalsContact O-N 3.1Å; W420-V422 VanDerWaalsContact C-N 3.27Å; W420-V422 PolarHBondContact O-N 3.36Å; V422-S426 WeakPolarHBondContact O-CB 3.07Å; V422-S426 PolarHBondContact O-N 3.32Å; V422-I429 HydrophobicContact CG1-CD1 3.79Å |
| 423 | I | 91.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 178.4 | -61.8 | 171 | 0 | 0 | 0 | 110.9 | L385 W386 R419 W420 N425 S426 I429 K430 I433 | L385-I423 HydrophobicContact CD2-CD1 4.18Å; W386-I423 HydrophobicContact CE3-CG2 4.1Å; W386-I423 HydrophobicContact CZ3-CG2 3.8Å; R419-I423 HydrophobicContact CG-CD1 3.98Å; R419-I423 HydrophobicContact CG-CG1 4.47Å; R419-I423 WeakPolarHBondContact O-CG1 2.87Å; R419-I423 PolarHBondContact O-N 2.77Å; W420-I423 HydrophobicContact CE3-CD1 4.32Å; W420-I423 HydrophobicContact CZ3-CG2 4.42Å; W420-I423 PolarHBondContact O-N 2.84Å; W420-I423 VanDerWaalsContact O-N 3.09Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 3.26Å; I423-S426 PolarHBondContact O-N 2.85Å; I423-I429 HydrophobicContact CG1-CG2 4.1Å; I423-K430 WeakPolarHBondContact O-CB 3.49Å; I423-I433 HydrophobicContact CB-CD1 4.35Å; I423-I433 HydrophobicContact CD1-CD1 3.42Å; I423-I433 VanDerWaalsContact CD1-CD1 3.42Å; I423-I433 HydrophobicContact CG1-CD1 3.46Å; I423-I433 VanDerWaalsContact CG1-CD1 3.46Å; I423-I433 HydrophobicContact CG2-CD1 4Å |
| 424 | D | 89.3 | Confident | 92 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -35.1 | -176.2 | -145.5 | 4.6 | 0 | 0 | 0 | 111.8 | K396 W420 K430 | K396-D424 IonicContact NZ-OD2 2.82Å; K396-D424 PolarHBondContact NZ-OD2 2.92Å; W420-D424 PolarHBondContact NE1-OD2 3.09Å; W420-D424 WeakPolarHBondContact O-CB 3.4Å; W420-D424 PolarHBondContact O-N 3.4Å; D424-K430 IonicContact OD1-NZ 3.83Å |
| 425 | N | 91.4 | Very high | 92.1 | Very high | 122 Ų | 122 | 71.5 Ų | 71.5 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -87 | -17.1 | -176.3 | -69.9 | -5.4 | 0 | 0 | 0 | 114.5 | R421 I423 | R421-N425 VanDerWaalsContact O-CB 3.27Å; R421-N425 WeakPolarHBondContact O-CB 3.25Å; R421-N425 PolarHBondContact O-N 2.76Å; R421-N425 VanDerWaalsContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.74Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 3.26Å |
| 426 | S | 93 | Very high | 92 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | trans | -115.6 | 103.9 | -176.9 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | V422 I423 T428 I429 K430 | V422-S426 WeakPolarHBondContact O-CB 3.07Å; V422-S426 PolarHBondContact O-N 3.32Å; I423-S426 PolarHBondContact O-N 2.85Å; S426-T428 PolarHBondContact O-N 3.4Å; S426-I429 PolarHBondContact O-N 2.7Å; S426-I429 VanDerWaalsContact O-N 3.09Å; S426-I429 WeakPolarHBondContact OG-CG1 3.21Å; S426-K430 WeakPolarHBondContact O-CB 3.4Å; S426-K430 PolarHBondContact O-N 2.99Å | ||
| 427 | E | 91.5 | Very high | 92 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.4 | -34.7 | -178.4 | -167.7 | 54.5 | -142.4 | 0 | 0 | 112.4 | K430 N431 | E427-K430 PolarHBondContact O-N 2.97Å; E427-N431 WeakPolarHBondContact O-CB 3.18Å; E427-N431 PolarHBondContact O-N 3.16Å; E427-N431 PolarHBondContact O-ND2 3.35Å; E427-N431 PolarHBondContact OE1-ND2 3.4Å |
| 428 | T | 92.9 | Very high | 91.7 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 72% | 0.718 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62 | -48.6 | 174.3 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | S426 A432 | S426-T428 PolarHBondContact O-N 3.4Å; T428-A432 WeakPolarHBondContact O-CB 3.42Å; T428-A432 PolarHBondContact O-N 3.18Å; T428-A432 VanDerWaalsContact O-N 3.08Å |
| 429 | I | 91.2 | Very high | 91.5 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 178.8 | -64.6 | 174.8 | 0 | 0 | 0 | 110.2 | V422 I423 S426 N431 A432 I433 | V422-I429 HydrophobicContact CG1-CD1 3.79Å; I423-I429 HydrophobicContact CG1-CG2 4.1Å; S426-I429 PolarHBondContact O-N 2.7Å; S426-I429 VanDerWaalsContact O-N 3.09Å; S426-I429 WeakPolarHBondContact OG-CG1 3.21Å; I429-N431 PolarHBondContact O-N 3.33Å; I429-A432 PolarHBondContact O-N 3.11Å; I429-I433 HydrophobicContact CG2-CD1 3.64Å; I429-I433 HydrophobicContact CG2-CG1 4.33Å; I429-I433 WeakPolarHBondContact O-CG1 3.35Å; I429-I433 PolarHBondContact O-N 3.19Å |
| 430 | K | 91.9 | Very high | 91.3 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 177.5 | -166.5 | 173.4 | -178 | 170 | 0 | 111.6 | W386 I423 D424 S426 E427 I433 R434 | W386-K430 HydrophobicContact CH2-CG 3.81Å; W386-K430 HydrophobicContact CZ3-CG 3.9Å; I423-K430 WeakPolarHBondContact O-CB 3.49Å; D424-K430 IonicContact OD1-NZ 3.83Å; S426-K430 WeakPolarHBondContact O-CB 3.4Å; S426-K430 PolarHBondContact O-N 2.99Å; E427-K430 PolarHBondContact O-N 2.97Å; K430-I433 PolarHBondContact O-N 2.92Å; K430-R434 VanDerWaalsContact O-CB 3.24Å; K430-R434 WeakPolarHBondContact O-CB 3.28Å; K430-R434 PolarHBondContact O-N 3.35Å |
| 431 | N | 91.6 | Very high | 91 | Very high | 44 Ų | 44 | 67 Ų | 67 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 178.2 | -78.3 | -47.9 | 0 | 0 | 0 | 112.7 | E427 I429 I433 R434 Q435 | E427-N431 WeakPolarHBondContact O-CB 3.18Å; E427-N431 PolarHBondContact O-N 3.16Å; E427-N431 PolarHBondContact O-ND2 3.35Å; E427-N431 PolarHBondContact OE1-ND2 3.4Å; I429-N431 PolarHBondContact O-N 3.33Å; N431-I433 PolarHBondContact O-N 3.42Å; N431-R434 PolarHBondContact O-N 3.09Å; N431-R434 PolarHBondContact OD1-NE 3.24Å; N431-R434 PolarHBondContact OD1-NH2 2.97Å; N431-Q435 WeakPolarHBondContact O-CB 3.24Å; N431-Q435 WeakPolarHBondContact O-CG 2.89Å; N431-Q435 PolarHBondContact O-N 2.67Å |
| 432 | A | 93.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T428 I429 Q435 A436 | T428-A432 WeakPolarHBondContact O-CB 3.42Å; T428-A432 PolarHBondContact O-N 3.18Å; T428-A432 VanDerWaalsContact O-N 3.08Å; I429-A432 PolarHBondContact O-N 3.11Å; A432-Q435 PolarHBondContact O-N 3.05Å; A432-A436 WeakPolarHBondContact O-CB 3.34Å; A432-A436 PolarHBondContact O-N 3.47Å |
| 433 | I | 91.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 178.3 | -65.4 | 171.3 | 0 | 0 | 0 | 111.2 | I379 S382 W386 I423 I429 K430 N431 Q435 A436 Y437 | I379-I433 HydrophobicContact CD1-CG1 4.42Å; S382-I433 WeakPolarHBondContact OG-CD1 3.49Å; W386-I433 HydrophobicContact CB-CG2 4.05Å; W386-I433 HydrophobicContact CD2-CG2 3.98Å; W386-I433 HydrophobicContact CE3-CB 4.25Å; W386-I433 HydrophobicContact CE3-CG2 3.56Å; W386-I433 HydrophobicContact CG-CG2 4.21Å; W386-I433 HydrophobicContact CZ3-CG2 4.29Å; I423-I433 HydrophobicContact CB-CD1 4.35Å; I423-I433 HydrophobicContact CD1-CD1 3.42Å; I423-I433 VanDerWaalsContact CD1-CD1 3.42Å; I423-I433 HydrophobicContact CG1-CD1 3.46Å; I423-I433 VanDerWaalsContact CG1-CD1 3.46Å; I423-I433 HydrophobicContact CG2-CD1 4Å; I429-I433 HydrophobicContact CG2-CD1 3.64Å; I429-I433 HydrophobicContact CG2-CG1 4.33Å; I429-I433 WeakPolarHBondContact O-CG1 3.35Å; I429-I433 PolarHBondContact O-N 3.19Å; K430-I433 PolarHBondContact O-N 2.92Å; N431-I433 PolarHBondContact O-N 3.42Å; I433-Q435 VanDerWaalsContact C-N 3.34Å; I433-Q435 PolarHBondContact O-N 3.1Å; I433-A436 PolarHBondContact O-N 2.94Å; I433-Y437 VanDerWaalsContact O-CB 3.31Å; I433-Y437 WeakPolarHBondContact O-CB 3.48Å; I433-Y437 PolarHBondContact O-N 3.46Å |
| 434 | R | 91 | Very high | 89.4 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.1 | -176.1 | 173.9 | 65 | 127.2 | -3.6 | 111.5 | W386 K430 N431 Y437 V438 | W386-R434 HydrophobicContact CH2-CB 3.97Å; W386-R434 HydrophobicContact CZ2-CB 3.87Å; W386-R434 HydrophobicContact CZ2-CG 4.05Å; K430-R434 VanDerWaalsContact O-CB 3.24Å; K430-R434 WeakPolarHBondContact O-CB 3.28Å; K430-R434 PolarHBondContact O-N 3.35Å; N431-R434 PolarHBondContact O-N 3.09Å; N431-R434 PolarHBondContact OD1-NE 3.24Å; N431-R434 PolarHBondContact OD1-NH2 2.97Å; R434-Y437 PolarHBondContact O-N 2.89Å; R434-V438 WeakPolarHBondContact O-CG2 3.44Å; R434-V438 PolarHBondContact O-N 2.98Å |
| 435 | Q | 91.2 | Very high | 88.3 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 175.5 | -75.1 | 176.1 | -11 | 0 | 0 | 111.8 | N431 A432 I433 Y437 V438 S439 | N431-Q435 WeakPolarHBondContact O-CB 3.24Å; N431-Q435 WeakPolarHBondContact O-CG 2.89Å; N431-Q435 PolarHBondContact O-N 2.67Å; A432-Q435 PolarHBondContact O-N 3.05Å; I433-Q435 VanDerWaalsContact C-N 3.34Å; I433-Q435 PolarHBondContact O-N 3.1Å; Q435-Y437 VanDerWaalsContact C-N 3.3Å; Q435-Y437 PolarHBondContact O-N 3.35Å; Q435-V438 PolarHBondContact O-N 2.84Å; Q435-S439 WeakPolarHBondContact O-CB 3.36Å; Q435-S439 PolarHBondContact O-N 3.29Å |
| 436 | A | 92.2 | Very high | 86.8 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I379 I383 A432 I433 S439 W440 | I379-A436 HydrophobicContact CD1-CB 3.78Å; I379-A436 HydrophobicContact CG1-CB 3.86Å; I383-A436 HydrophobicContact CD1-CB 4.16Å; I383-A436 HydrophobicContact CG1-CB 4.3Å; A432-A436 WeakPolarHBondContact O-CB 3.34Å; A432-A436 PolarHBondContact O-N 3.47Å; I433-A436 PolarHBondContact O-N 2.94Å; A436-S439 PolarHBondContact O-N 3.48Å; A436-W440 WeakPolarHBondContact O-CB 3.49Å; A436-W440 PolarHBondContact O-N 3.26Å |
| 437 | Y | 91.7 | Very high | 85 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 9% | 0.09 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 176.3 | -177.1 | -103 | 0 | 0 | 0 | 112 | I383 W386 H387 H391 I433 R434 Q435 W440 T441 | I383-Y437 HydrophobicContact CG2-CD2 4.11Å; W386-Y437 HydrophobicContact CB-CD2 4.37Å; W386-Y437 AromaticContact CD1-CD1 3.56Å; W386-Y437 AromaticContact CD1-CD2 3.6Å; W386-Y437 AromaticContact CD1-CE1 3.9Å; W386-Y437 AromaticContact CD1-CE2 3.98Å; W386-Y437 AromaticContact CD1-CG 3.39Å; W386-Y437 HydrophobicContact CG-CD2 4.27Å; W386-Y437 HydrophobicContact CG-CG 4.2Å; W386-Y437 AromaticContact NE1-CD1 3.65Å; W386-Y437 AromaticContact NE1-CG 3.87Å; H387-Y437 HydrophobicContact CB-CE2 3.82Å; H387-Y437 PolarHBondContact CD2-OH 3.21Å; H391-Y437 PolarHBondContact NE2-OH 3.43Å; I433-Y437 VanDerWaalsContact O-CB 3.31Å; I433-Y437 WeakPolarHBondContact O-CB 3.48Å; I433-Y437 PolarHBondContact O-N 3.46Å; R434-Y437 PolarHBondContact O-N 2.89Å; Q435-Y437 VanDerWaalsContact C-N 3.3Å; Q435-Y437 PolarHBondContact O-N 3.35Å; Y437-W440 HydrophobicContact CD2-CE3 4.12Å; Y437-W440 HydrophobicContact CD2-CZ3 4.45Å; Y437-W440 AromaticContact CE2-CE3 3.94Å; Y437-W440 HydrophobicContact CE2-CE3 3.94Å; Y437-W440 AromaticContact CE2-CZ3 3.83Å; Y437-W440 HydrophobicContact CE2-CZ3 3.83Å; Y437-W440 PolarHBondContact O-N 3.45Å; Y437-T441 HydrophobicContact CD1-CG2 4.25Å; Y437-T441 HydrophobicContact CE1-CG2 3.84Å; Y437-T441 HydrophobicContact CE2-CG2 4.22Å; Y437-T441 WeakPolarHBondContact O-CG2 3.48Å; Y437-T441 PolarHBondContact O-N 2.95Å; Y437-T441 PolarHBondContact O-OG1 2.92Å |
| 438 | V | 87.2 | Confident | 83 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | R434 Q435 W440 T441 S442 | R434-V438 WeakPolarHBondContact O-CG2 3.44Å; R434-V438 PolarHBondContact O-N 2.98Å; Q435-V438 PolarHBondContact O-N 2.84Å; V438-W440 VanDerWaalsContact C-N 3.29Å; V438-W440 PolarHBondContact O-N 3.2Å; V438-T441 WeakPolarHBondContact CA-OG1 3.36Å; V438-T441 PolarHBondContact O-N 3.47Å; V438-T441 PolarHBondContact O-OG1 3.19Å; V438-S442 PolarHBondContact O-N 3.31Å |
| 439 | S | 88.2 | Confident | 80.6 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -32.5 | 175 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | Q435 A436 S442 | Q435-S439 WeakPolarHBondContact O-CB 3.36Å; Q435-S439 PolarHBondContact O-N 3.29Å; A436-S439 PolarHBondContact O-N 3.48Å; S439-S442 PolarHBondContact O-OG 2.86Å |
| 440 | W | 88.8 | Confident | 78.3 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 6% | 0.057 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.9 | -42.7 | 174.5 | 173.7 | 79.3 | 0 | 0 | 0 | 111.9 | Y361 I383 H387 A436 Y437 V438 S442 Q443 F444 P458 P460 | Y361-W440 HydrophobicContact CD1-CZ2 4.4Å; Y361-W440 AromaticContact CD1-NE1 3.96Å; Y361-W440 AromaticContact CE1-NE1 3.88Å; I383-W440 HydrophobicContact CD1-CB 4.2Å; I383-W440 HydrophobicContact CG2-CB 4.34Å; I383-W440 HydrophobicContact CG2-CD2 3.82Å; I383-W440 HydrophobicContact CG2-CE3 4.01Å; I383-W440 HydrophobicContact CG2-CG 3.97Å; H387-W440 AromaticContact CD2-CH2 3.92Å; H387-W440 AromaticContact CD2-CZ3 3.85Å; A436-W440 WeakPolarHBondContact O-CB 3.49Å; A436-W440 PolarHBondContact O-N 3.26Å; Y437-W440 HydrophobicContact CD2-CE3 4.12Å; Y437-W440 HydrophobicContact CD2-CZ3 4.45Å; Y437-W440 AromaticContact CE2-CE3 3.94Å; Y437-W440 HydrophobicContact CE2-CE3 3.94Å; Y437-W440 AromaticContact CE2-CZ3 3.83Å; Y437-W440 HydrophobicContact CE2-CZ3 3.83Å; Y437-W440 PolarHBondContact O-N 3.45Å; V438-W440 VanDerWaalsContact C-N 3.29Å; V438-W440 PolarHBondContact O-N 3.2Å; W440-S442 VanDerWaalsContact C-N 3.31Å; W440-S442 PolarHBondContact O-N 2.78Å; W440-Q443 WeakPolarHBondContact O-CB 3.36Å; W440-Q443 PolarHBondContact O-N 3.21Å; W440-F444 HydrophobicContact CD2-CE2 4.04Å; W440-F444 AromaticContact CE2-CE2 3.51Å; W440-F444 HydrophobicContact CG-CE2 4.46Å; W440-F444 HydrophobicContact CH2-CE2 4.29Å; W440-F444 AromaticContact CZ2-CE2 3.66Å; W440-F444 HydrophobicContact CZ2-CE2 3.66Å; W440-F444 HydrophobicContact CZ2-CZ 4.2Å; W440-F444 AromaticContact NE1-CE2 3.63Å; W440-F444 WeakPolarHBondContact O-CD2 3.43Å; W440-F444 WeakPolarHBondContact O-CE2 3.48Å; W440-P458 WeakPolarHBondContact CH2-O 3.47Å; W440-P458 HydrophobicContact CZ2-CG 4.44Å; W440-P460 HydrophobicContact CH2-CB 4.41Å; W440-P460 HydrophobicContact CH2-CG 4.2Å; W440-P460 HydrophobicContact CZ2-CB 4.07Å; W440-P460 HydrophobicContact CZ2-CG 4.36Å |
| 441 | T | 85.9 | Confident | 76 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.4 | -32.3 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | Y437 V438 Q443 F444 T445 L457 | Y437-T441 HydrophobicContact CD1-CG2 4.25Å; Y437-T441 HydrophobicContact CE1-CG2 3.84Å; Y437-T441 HydrophobicContact CE2-CG2 4.22Å; Y437-T441 WeakPolarHBondContact O-CG2 3.48Å; Y437-T441 PolarHBondContact O-N 2.95Å; Y437-T441 PolarHBondContact O-OG1 2.92Å; V438-T441 WeakPolarHBondContact CA-OG1 3.36Å; V438-T441 PolarHBondContact O-N 3.47Å; V438-T441 PolarHBondContact O-OG1 3.19Å; T441-Q443 PolarHBondContact O-N 3.31Å; T441-F444 PolarHBondContact O-N 3.01Å; T441-T445 PolarHBondContact O-N 2.94Å; T441-L457 HydrophobicContact CG2-CD1 3.69Å; T441-L457 HydrophobicContact CG2-CD2 4.03Å |
| 442 | S | 83 | Confident | 73.8 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.2 | -26.1 | 178.7 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | V438 S439 W440 F444 T445 | V438-S442 PolarHBondContact O-N 3.31Å; S439-S442 PolarHBondContact O-OG 2.86Å; W440-S442 VanDerWaalsContact C-N 3.31Å; W440-S442 PolarHBondContact O-N 2.78Å; S442-F444 PolarHBondContact O-N 3.09Å; S442-T445 WeakPolarHBondContact CA-OG1 3.36Å; S442-T445 PolarHBondContact O-N 3.34Å |
| 443 | Q | 82.9 | Confident | 71.7 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23 | 173.8 | -59.8 | 175.9 | 22.7 | 0 | 0 | 112.5 | W440 T441 | W440-Q443 WeakPolarHBondContact O-CB 3.36Å; W440-Q443 PolarHBondContact O-N 3.21Å; T441-Q443 PolarHBondContact O-N 3.31Å |
| 444 | F | 77.5 | Confident | 70 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -12.1 | -179.4 | -55.5 | -75.3 | 0 | 0 | 0 | 113.5 | Y361 W440 T441 S442 L457 P458 | Y361-F444 HydrophobicContact CD2-CE1 4.12Å; Y361-F444 AromaticContact CD2-CZ 3.82Å; Y361-F444 HydrophobicContact CD2-CZ 3.82Å; Y361-F444 HydrophobicContact CE2-CE1 4.34Å; Y361-F444 AromaticContact CE2-CZ 3.96Å; Y361-F444 HydrophobicContact CE2-CZ 3.96Å; Y361-F444 HydrophobicContact CG-CZ 4.19Å; W440-F444 HydrophobicContact CD2-CE2 4.04Å; W440-F444 AromaticContact CE2-CE2 3.51Å; W440-F444 HydrophobicContact CG-CE2 4.46Å; W440-F444 HydrophobicContact CH2-CE2 4.29Å; W440-F444 AromaticContact CZ2-CE2 3.66Å; W440-F444 HydrophobicContact CZ2-CE2 3.66Å; W440-F444 HydrophobicContact CZ2-CZ 4.2Å; W440-F444 AromaticContact NE1-CE2 3.63Å; W440-F444 WeakPolarHBondContact O-CD2 3.43Å; W440-F444 WeakPolarHBondContact O-CE2 3.48Å; T441-F444 PolarHBondContact O-N 3.01Å; S442-F444 PolarHBondContact O-N 3.09Å; F444-L457 HydrophobicContact CB-CD2 4.19Å; F444-P458 HydrophobicContact CD1-CG 3.8Å; F444-P458 HydrophobicContact CD2-CG 4.21Å; F444-P458 HydrophobicContact CE1-CG 3.59Å; F444-P458 HydrophobicContact CE2-CG 4.02Å; F444-P458 HydrophobicContact CG-CG 4.11Å; F444-P458 HydrophobicContact CZ-CG 3.71Å |
| 445 | T | 66.5 | Low | 68.3 | Low | 31 Ų | 31 | 92.2 Ų | 92.2 | 19% | 0.19 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 11.3 | -175 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | T441 S442 G447 K448 P451 L457 | T441-T445 PolarHBondContact O-N 2.94Å; S442-T445 WeakPolarHBondContact CA-OG1 3.36Å; S442-T445 PolarHBondContact O-N 3.34Å; T445-G447 PolarHBondContact O-N 3.05Å; T445-K448 PolarHBondContact O-N 3.34Å; T445-P451 HydrophobicContact CG2-CB 4.2Å; T445-L457 HydrophobicContact CG2-CD2 4.47Å |
| 446 | N | 60.5 | Low | 67 | Low | 152 Ų | 152 | 92 Ų | 92 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 33.5 | 178.1 | -71.9 | -12 | 0 | 0 | 0 | 113.9 | K448 | N446-K448 PolarHBondContact O-N 3.1Å; N446-K448 VanDerWaalsContact O-N 3.12Å |
| 447 | G | 53.7 | Low | 66.3 | Low | 62 Ų | 62 | 91.7 Ų | 91.7 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 9.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T445 D449 | T445-G447 PolarHBondContact O-N 3.05Å; G447-D449 PolarHBondContact O-N 3.37Å |
| 448 | K | 49.4 | Very low | 66 | Low | 168 Ų | 168 | 91 Ų | 91 | 73% | 0.73 | 49% | 0.485 | S | S | * | . | trans | -81.8 | 115.3 | 168.4 | -71.6 | -173.3 | 177.6 | -176.2 | 0 | 108.2 | T445 N446 S450 | T445-K448 PolarHBondContact O-N 3.34Å; N446-K448 PolarHBondContact O-N 3.1Å; N446-K448 VanDerWaalsContact O-N 3.12Å; K448-S450 PolarHBondContact O-N 2.8Å | ||
| 449 | D | 42.4 | Very low | 66 | Low | 155 Ų | 155 | 88.4 Ų | 88.4 | 83% | 0.829 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -48.3 | 122.2 | 176.9 | -72.8 | -50.4 | 0 | 0 | 0 | 110.9 | G447 | G447-D449 PolarHBondContact O-N 3.37Š|
| 450 | S | 44.2 | Very low | 66.1 | Low | 87 Ų | 87 | 85 Ų | 85 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 70.7 | 120 | 174.7 | -45.8 | 0 | 0 | 0 | 0 | 115.5 | K448 V452 | K448-S450 PolarHBondContact O-N 2.8Å; S450-V452 PolarHBondContact O-N 2.85Å |
| 451 | P | 42.9 | Very low | 66.2 | Low | 36 Ų | 36 | 85.2 Ų | 85.2 | 23% | 0.234 | 45% | 0.446 | C | S | . | . | trans | -60 | 110 | 167.8 | 25 | -30.4 | 0 | 0 | 0 | 108.2 | T445 R453 Y454 | T445-P451 HydrophobicContact CG2-CB 4.2Å; P451-R453 PolarHBondContact O-N 3.08Å; P451-Y454 HydrophobicContact CG-CD1 4.31Å; P451-Y454 HydrophobicContact CG-CE1 4.43Å | ||
| 452 | V | 46.5 | Very low | 66.4 | Low | 142 Ų | 142 | 84.3 Ų | 84.3 | 86% | 0.861 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -53.6 | -19.3 | -178.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | S450 | S450-V452 PolarHBondContact O-N 2.85Š|
| 453 | R | 49.1 | Very low | 66.7 | Low | 180 Ų | 180 | 83.1 Ų | 83.1 | 68% | 0.679 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -145.8 | 129 | 162.6 | -62.3 | -174 | 178.1 | -178.2 | -2.1 | 110.5 | P451 N455 H456 | P451-R453 PolarHBondContact O-N 3.08Å; R453-N455 PolarHBondContact O-N 3.33Å; R453-H456 PolarHBondContact O-CD2 3.48Å |
| 454 | Y | 54.9 | Low | 66.6 | Low | 163 Ų | 163 | 78.7 Ų | 78.7 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -61 | -15 | -178.4 | -66.3 | -81.5 | 0 | 0 | 0 | 114.6 | P451 H456 | P451-Y454 HydrophobicContact CG-CD1 4.31Å; P451-Y454 HydrophobicContact CG-CE1 4.43Å; Y454-H456 PolarHBondContact O-N 2.84Å; Y454-H456 VanDerWaalsContact O-N 3.1Å |
| 455 | N | 55 | Low | 66.1 | Low | 140 Ų | 140 | 77.2 Ų | 77.2 | 75% | 0.749 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -73.4 | 2.4 | -175.6 | -60.6 | 2.3 | 0 | 0 | 0 | 114.7 | R453 | R453-N455 PolarHBondContact O-N 3.33Š|
| 456 | H | 64.8 | Low | 65.5 | Low | 130 Ų | 130 | 80.9 Ų | 80.9 | 60% | 0.602 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -108.6 | -7.4 | -173 | -61.6 | -52.4 | 0 | 0 | 0 | 115.3 | R453 Y454 | R453-H456 PolarHBondContact O-CD2 3.48Å; Y454-H456 PolarHBondContact O-N 2.84Å; Y454-H456 VanDerWaalsContact O-N 3.1Å |
| 457 | L | 77.7 | Confident | 64.6 | Low | 19 Ų | 19 | 80.6 Ų | 80.6 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -74.2 | 137.5 | 177.4 | -69.1 | 171.9 | 0 | 0 | 0 | 110.5 | T441 F444 T445 | T441-L457 HydrophobicContact CG2-CD1 3.69Å; T441-L457 HydrophobicContact CG2-CD2 4.03Å; F444-L457 HydrophobicContact CB-CD2 4.19Å; T445-L457 HydrophobicContact CG2-CD2 4.47Å |
| 458 | P | 84.7 | Confident | 63.4 | Low | 10 Ų | 10 | 83.6 Ų | 83.6 | 7% | 0.065 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 139.3 | 177.5 | 31.1 | -34.2 | 0 | 0 | 0 | 110.7 | R359 W440 F444 P460 | R359-P458 HydrophobicContact CB-CB 3.83Å; R359-P458 CarbonylContact O-C 3.58Å; R359-P458 WeakPolarHBondContact O-CA 3.46Å; W440-P458 WeakPolarHBondContact CH2-O 3.47Å; W440-P458 HydrophobicContact CZ2-CG 4.44Å; F444-P458 HydrophobicContact CD1-CG 3.8Å; F444-P458 HydrophobicContact CD2-CG 4.21Å; F444-P458 HydrophobicContact CE1-CG 3.59Å; F444-P458 HydrophobicContact CE2-CG 4.02Å; F444-P458 HydrophobicContact CG-CG 4.11Å; F444-P458 HydrophobicContact CZ-CG 3.71Å; P458-P460 VanDerWaalsContact O-CD 3.3Å; P458-P460 WeakPolarHBondContact O-CD 3.37Å |
| 459 | I | 86.9 | Confident | 62.7 | Low | 30 Ų | 30 | 84.8 Ų | 84.8 | 15% | 0.154 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.6 | 176.5 | -59.2 | -177 | 0 | 0 | 0 | 109.1 | V358 R359 Y361 Q404 I461 | V358-I459 HydrophobicContact CG1-CD1 3.39Å; V358-I459 HydrophobicContact CG1-CG1 3.83Å; R359-I459 PolarHBondContact O-N 3.48Å; Y361-I459 PolarHBondContact N-O 3.37Å; Q404-I459 HydrophobicContact CB-CG2 4.46Å; I459-I461 HydrophobicContact CG2-CG1 4.5Å |
| 460 | P | 90 | Very high | 63.7 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.7 | 175.3 | 30.1 | -34.2 | 0 | 0 | 0 | 110.6 | Y361 I363 A384 H387 S405 W440 P458 | Y361-P460 CarbonylContact O-C 3.6Å; Y361-P460 WeakPolarHBondContact O-CA 3.11Å; I363-P460 HydrophobicContact CD1-CB 4.04Å; A384-P460 HydrophobicContact CB-CB 3.98Å; A384-P460 HydrophobicContact CB-CG 3.85Å; H387-P460 HydrophobicContact CB-CG 3.71Å; H387-P460 VanDerWaalsContact CG-CD 3.45Å; S405-P460 WeakPolarHBondContact CB-O 3.44Å; S405-P460 PolarHBondContact OG-O 3.46Å; W440-P460 HydrophobicContact CH2-CB 4.41Å; W440-P460 HydrophobicContact CH2-CG 4.2Å; W440-P460 HydrophobicContact CZ2-CB 4.07Å; W440-P460 HydrophobicContact CZ2-CG 4.36Å; P458-P460 VanDerWaalsContact O-CD 3.3Å; P458-P460 WeakPolarHBondContact O-CD 3.37Å |
| 461 | I | 91.1 | Very high | 64.7 | Low | 19 Ų | 19 | 81 Ų | 81 | 10% | 0.097 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.5 | -179.1 | -54.1 | -173.5 | 0 | 0 | 0 | 109 | K360 Y361 I363 I459 V463 | K360-I461 HydrophobicContact CB-CD1 3.84Å; K360-I461 HydrophobicContact CD-CD1 3.59Å; K360-I461 HydrophobicContact CG-CD1 3.76Å; Y361-I461 PolarHBondContact O-N 2.92Å; I363-I461 PolarHBondContact N-O 3.09Å; I459-I461 HydrophobicContact CG2-CG1 4.5Å; I461-V463 HydrophobicContact CG2-CG2 4.16Å |
| 462 | I | 91.6 | Very high | 65.9 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.6 | 176.3 | -51.1 | -55.4 | 0 | 0 | 0 | 109.6 | I363 L365 E380 E381 A384 S405 F406 H408 S409 | I363-I462 HydrophobicContact CB-CD1 3.93Å; I363-I462 HydrophobicContact CD1-CD1 3.92Å; I363-I462 HydrophobicContact CG1-CD1 4.39Å; I363-I462 HydrophobicContact CG2-CD1 4.19Å; L365-I462 HydrophobicContact CD1-CG2 3.55Å; L365-I462 HydrophobicContact CG-CG2 4.17Å; E380-I462 HydrophobicContact CB-CD1 4.46Å; E381-I462 HydrophobicContact CG-CG1 4.35Å; E381-I462 HydrophobicContact CG-CG2 4.15Å; A384-I462 HydrophobicContact CB-CD1 3.79Å; A384-I462 HydrophobicContact CB-CG1 3.82Å; S405-I462 PolarHBondContact O-N 3.24Å; F406-I462 HydrophobicContact CD1-CB 4.36Å; F406-I462 HydrophobicContact CD1-CG1 4.09Å; F406-I462 HydrophobicContact CE1-CG1 3.83Å; F406-I462 HydrophobicContact CZ-CG1 4.34Å; H408-I462 CarbonylContact C-O 3.57Å; S409-I462 VanDerWaalsContact CB-CG2 3.41Å |
| 463 | V | 88.5 | Confident | 67.1 | Low | 31 Ų | 31 | 80.1 Ų | 80.1 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117.2 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | I362 I363 R364 L365 H408 I461 | I362-V463 HydrophobicContact CG2-CB 4.36Å; I362-V463 HydrophobicContact CG2-CG2 3.83Å; I363-V463 PolarHBondContact O-N 3.49Å; R364-V463 WeakPolarHBondContact CA-O 3.41Å; L365-V463 PolarHBondContact N-O 3.41Å; H408-V463 HydrophobicContact CB-CB 4.44Å; H408-V463 HydrophobicContact CB-CG1 4.28Å; H408-V463 HydrophobicContact CB-CG2 4.16Å; I461-V463 HydrophobicContact CG2-CG2 4.16Å |
| 464 | R | 81 | Confident | 68.2 | Low | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.7 | 167.6 | -73.4 | -173 | -173.4 | -119 | 4.7 | 108.1 | L365 E368 E381 H408 S409 C466 | L365-R464 HydrophobicContact CB-CG 4.15Å; E368-R464 IonicContact OE1-CZ 2.72Å; E368-R464 IonicContact OE1-NH1 3.41Å; E368-R464 PolarHBondContact OE1-NH1 2.81Å; E368-R464 IonicContact OE1-NH2 3.62Å; E368-R464 PolarHBondContact OE1-NH2 3.42Å; E368-R464 IonicContact OE2-NH1 3.37Å; E381-R464 IonicContact OE1-CZ 3.2Å; E381-R464 IonicContact OE1-NE 2.74Å; E381-R464 IonicContact OE1-NH2 2.68Å; E381-R464 PolarHBondContact OE1-NH2 3.01Å; E381-R464 IonicContact OE2-NH2 3.19Å; H408-R464 PolarHBondContact O-N 2.84Å; S409-R464 VanDerWaalsContact O-CD 3.23Å; S409-R464 WeakPolarHBondContact O-CD 3.27Å; S409-R464 PolarHBondContact O-NE 3.34Å; R464-C466 PolarHBondContact O-N 3Å |
| 465 | T | 66.5 | Low | 69.1 | Low | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | trans | -74.2 | 124.7 | -178.7 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | R364 L365 K367 Q467 | R364-T465 HydrophobicContact CB-CG2 4.36Å; R364-T465 HydrophobicContact CG-CG2 4.35Å; L365-T465 PolarHBondContact O-N 2.92Å; L365-T465 PolarHBondContact O-OG1 3.24Å; K367-T465 WeakPolarHBondContact CB-O 3.42Å; T465-Q467 PolarHBondContact O-N 3.27Å | ||
| 466 | C | 53.8 | Low | 70.1 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | trans | -76.4 | 113.7 | 158.1 | -66.1 | 0 | 0 | 0 | 0 | 106 | R464 S468 | R464-C466 PolarHBondContact O-N 3Å; C466-S468 PolarHBondContact O-N 3.41Å | ||
| 467 | Q | 42.8 | Very low | 70.5 | Confident | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | trans | -60 | 116.1 | 163.9 | -80.4 | 179.5 | -17.7 | 0 | 0 | 107.6 | T465 T469 | T465-Q467 PolarHBondContact O-N 3.27Å; Q467-T469 PolarHBondContact O-N 3.15Å | ||
| 468 | S | 28.8 | Very low | 69.9 | Low | 124 Ų | 124 | 60.8 Ų | 60.8 | 87% | 0.867 | 36% | 0.361 | S | S | * | . | trans | -68.7 | 98.2 | 155.4 | 49.1 | 0 | 0 | 0 | 0 | 106.9 | C466 | C466-S468 PolarHBondContact O-N 3.41Š| ||
| 469 | T | 33.5 | Very low | 68.6 | Low | 194 Ų | 194 | 65.4 Ų | 65.4 | 100% | 1.19 | 39% | 0.388 | S | S | * | . | trans | -118.8 | 0 | 154.2 | 48.2 | 0 | 0 | 0 | 0 | 107 | Q467 | Q467-T469 PolarHBondContact O-N 3.15Š|
Retrieved 469 of 469 residues in 288.6 ms
(Link to these results)