| 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 | 42 | Very low | 45.1 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 100% | 0.995 | 62% | 0.624 | S | S | * | * | 0 | -28.2 | 0 | -63.8 | -156 | -67.3 | 0 | 0 | 115 | |||||
| 2 | K | 41.3 | Very low | 45.8 | Very low | 182 Ų | 182 | 124 Ų | 124 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.3 | -38 | 178.3 | -104.8 | 173.1 | 173.9 | 176.5 | 0 | 113.7 | R5 I6 | K2-R5 PolarHBondContact O-N 3.14Å; K2-I6 PolarHBondContact O-N 3.31Å |
| 3 | E | 41.3 | Very low | 46 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.8 | -35.6 | -178.8 | -59.8 | -171.7 | 148 | 0 | 0 | 112.8 | R5 I6 L7 | E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 2.75Å; E3-I6 PolarHBondContact O-N 3.47Å; E3-L7 PolarHBondContact O-N 3Å; E3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | S | 39.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 113.7 Ų | 113.7 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -33.2 | 175.1 | -39.9 | 0 | 0 | 0 | 0 | 112.1 | L7 V8 | S4-L7 PolarHBondContact O-N 3.46Å; S4-V8 WeakPolarHBondContact O-CB 3.33Å; S4-V8 WeakPolarHBondContact O-CG2 3.41Å; S4-V8 PolarHBondContact O-N 3.26Å |
| 5 | R | 43.4 | Very low | 45.9 | Very low | 182 Ų | 182 | 109.7 Ų | 109.7 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -36.9 | 176.6 | -69.9 | -177 | 174.5 | -163.3 | -1.9 | 111.9 | K2 E3 V8 I9 | K2-R5 PolarHBondContact O-N 3.14Å; E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 2.75Å; R5-V8 PolarHBondContact O-N 2.84Å; R5-I9 WeakPolarHBondContact O-CB 3.36Å; R5-I9 VanDerWaalsContact O-CD1 3.32Å; R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 WeakPolarHBondContact O-CG1 3.48Å; R5-I9 PolarHBondContact O-N 3.21Å |
| 6 | I | 51.1 | Low | 46 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.1 | -44.1 | 176.5 | -62.1 | 168 | 0 | 0 | 0 | 109.7 | K2 E3 V8 I9 F10 | K2-I6 PolarHBondContact O-N 3.31Å; E3-I6 PolarHBondContact O-N 3.47Å; I6-V8 PolarHBondContact O-N 3.41Å; I6-I9 PolarHBondContact O-N 2.91Å; I6-F10 VanDerWaalsContact O-CB 3.29Å; I6-F10 WeakPolarHBondContact O-CB 3.43Å; I6-F10 PolarHBondContact O-N 3.16Å |
| 7 | L | 45.6 | Very low | 45.9 | Very low | 114 Ų | 114 | 106.2 Ų | 106.2 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.6 | -42.1 | 174.2 | -99.3 | 160.2 | 0 | 0 | 0 | 112.8 | E3 S4 F10 L11 | E3-L7 PolarHBondContact O-N 3Å; E3-L7 VanDerWaalsContact O-N 3.08Å; S4-L7 PolarHBondContact O-N 3.46Å; L7-F10 PolarHBondContact O-N 3.46Å; L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 PolarHBondContact O-N 3.06Å |
| 8 | V | 46.7 | Very low | 45.7 | Very low | 84 Ų | 84 | 107.2 Ų | 107.2 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -42.1 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | S4 R5 I6 F10 L11 V12 | S4-V8 WeakPolarHBondContact O-CB 3.33Å; S4-V8 WeakPolarHBondContact O-CG2 3.41Å; S4-V8 PolarHBondContact O-N 3.26Å; R5-V8 PolarHBondContact O-N 2.84Å; I6-V8 PolarHBondContact O-N 3.41Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 2.84Å; V8-L11 PolarHBondContact O-N 3.08Å; V8-V12 HydrophobicContact CG1-CG2 4.41Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 VanDerWaalsContact O-CG2 3.23Å; V8-V12 WeakPolarHBondContact O-CG2 3.34Å; V8-V12 PolarHBondContact O-N 3.3Å |
| 9 | I | 52.6 | Low | 45.4 | Very low | 76 Ų | 76 | 106.3 Ų | 106.3 | 39% | 0.39 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -39.8 | 175.3 | -68.3 | 161.7 | 0 | 0 | 0 | 110.2 | R5 I6 V12 L13 | R5-I9 WeakPolarHBondContact O-CB 3.36Å; R5-I9 VanDerWaalsContact O-CD1 3.32Å; R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 WeakPolarHBondContact O-CG1 3.48Å; R5-I9 PolarHBondContact O-N 3.21Å; I6-I9 PolarHBondContact O-N 2.91Å; I9-V12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 3.98Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 PolarHBondContact O-N 3.4Å |
| 10 | F | 47.1 | Very low | 45.3 | Very low | 107 Ų | 107 | 105.9 Ų | 105.9 | 47% | 0.469 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -40 | 177.7 | -151.6 | -99.4 | 0 | 0 | 0 | 112.4 | I6 L7 V8 L13 S14 F147 | I6-F10 VanDerWaalsContact O-CB 3.29Å; I6-F10 WeakPolarHBondContact O-CB 3.43Å; I6-F10 PolarHBondContact O-N 3.16Å; L7-F10 PolarHBondContact O-N 3.46Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 3.34Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 2.97Å; F10-S14 PolarHBondContact O-OG 2.84Å; F10-F147 HydrophobicContact CD1-CE2 4.37Å; F10-F147 HydrophobicContact CD1-CZ 4.43Å; F10-F147 AromaticContact CE1-CD2 3.96Å; F10-F147 HydrophobicContact CE1-CD2 3.96Å; F10-F147 AromaticContact CE1-CE2 3.2Å; F10-F147 HydrophobicContact CE1-CE2 3.2Å; F10-F147 AromaticContact CE1-CZ 3.59Å; F10-F147 HydrophobicContact CE1-CZ 3.59Å; F10-F147 HydrophobicContact CE2-CD2 4.4Å; F10-F147 HydrophobicContact CE2-CE2 4.2Å; F10-F147 HydrophobicContact CE2-CZ 4.28Å; F10-F147 HydrophobicContact CZ-CD1 4.43Å; F10-F147 AromaticContact CZ-CD2 3.41Å; F10-F147 HydrophobicContact CZ-CD2 3.41Å; F10-F147 VanDerWaalsContact CZ-CD2 3.41Å; F10-F147 HydrophobicContact CZ-CE1 4.18Å; F10-F147 AromaticContact CZ-CE2 3.1Å; F10-F147 HydrophobicContact CZ-CE2 3.1Å; F10-F147 HydrophobicContact CZ-CG 4.08Å; F10-F147 AromaticContact CZ-CZ 3.51Å; F10-F147 HydrophobicContact CZ-CZ 3.51Å |
| 11 | L | 46.3 | Very low | 44.7 | Very low | 113 Ų | 113 | 104.6 Ų | 104.6 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.9 | -45 | 173.4 | -106.8 | 151.2 | 0 | 0 | 0 | 111.3 | L7 V8 S14 A15 | L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 PolarHBondContact O-N 3.06Å; V8-L11 PolarHBondContact O-N 3.08Å; L11-S14 WeakPolarHBondContact CA-OG 3.31Å; L11-S14 PolarHBondContact O-N 2.72Å; L11-S14 PolarHBondContact O-OG 3.27Å; L11-A15 WeakPolarHBondContact O-CB 3.5Å; L11-A15 PolarHBondContact O-N 2.88Å |
| 12 | V | 52.7 | Low | 44.6 | Very low | 83 Ų | 83 | 103 Ų | 103 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | V8 I9 A15 S16 | V8-V12 HydrophobicContact CG1-CG2 4.41Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 VanDerWaalsContact O-CG2 3.23Å; V8-V12 WeakPolarHBondContact O-CG2 3.34Å; V8-V12 PolarHBondContact O-N 3.3Å; I9-V12 PolarHBondContact O-N 3.47Å; V12-A15 PolarHBondContact O-N 3.09Å; V12-S16 PolarHBondContact O-N 3.46Å; V12-S16 VanDerWaalsContact O-N 3.07Å; V12-S16 PolarHBondContact O-OG 3.31Å |
| 13 | L | 48.7 | Very low | 44.2 | Very low | 67 Ų | 67 | 98.5 Ų | 98.5 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 172.5 | -110.5 | 105.3 | 0 | 0 | 0 | 111.9 | I9 F10 S16 L17 F51 | I9-L13 HydrophobicContact CG2-CD1 3.98Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 PolarHBondContact O-N 3.4Å; F10-L13 PolarHBondContact O-N 3.34Å; L13-S16 WeakPolarHBondContact CA-OG 3.2Å; L13-S16 PolarHBondContact O-OG 2.98Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.28Å; L13-L17 VanDerWaalsContact O-N 3.09Å; L13-F51 HydrophobicContact CD1-CE2 4.26Å |
| 14 | S | 47.3 | Very low | 43.9 | Very low | 37 Ų | 37 | 94 Ų | 94 | 26% | 0.259 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 178.2 | 72 | 0 | 0 | 0 | 0 | 112.1 | F10 L11 L17 L18 | F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 2.97Å; F10-S14 PolarHBondContact O-OG 2.84Å; L11-S14 WeakPolarHBondContact CA-OG 3.31Å; L11-S14 PolarHBondContact O-N 2.72Å; L11-S14 PolarHBondContact O-OG 3.27Å; S14-L17 PolarHBondContact O-N 2.95Å; S14-L18 VanDerWaalsContact O-CD1 3.24Å; S14-L18 WeakPolarHBondContact O-CD1 3.27Å; S14-L18 PolarHBondContact O-N 2.83Å |
| 15 | A | 42.7 | Very low | 43.7 | Very low | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L11 V12 L18 C19 | L11-A15 WeakPolarHBondContact O-CB 3.5Å; L11-A15 PolarHBondContact O-N 2.88Å; V12-A15 PolarHBondContact O-N 3.09Å; A15-L18 PolarHBondContact O-N 3.33Å; A15-C19 PolarHBondContact O-N 2.88Å; A15-C19 PolarHBondContact O-SG 3.05Å; A15-C19 VanDerWaalsContact O-SG 3.37Å |
| 16 | S | 48.7 | Very low | 43.1 | Very low | 62 Ų | 62 | 97 Ų | 97 | 43% | 0.434 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -30.6 | 178.5 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | V12 L13 T20 | V12-S16 PolarHBondContact O-N 3.46Å; V12-S16 VanDerWaalsContact O-N 3.07Å; V12-S16 PolarHBondContact O-OG 3.31Å; L13-S16 WeakPolarHBondContact CA-OG 3.2Å; L13-S16 PolarHBondContact O-OG 2.98Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; S16-T20 PolarHBondContact O-N 3.34Å; S16-T20 PolarHBondContact O-OG1 3.44Å; S16-T20 VanDerWaalsContact O-OG1 3.08Å |
| 17 | L | 44.6 | Very low | 42.2 | Very low | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.7 | -32.3 | 172.1 | -77.6 | 161.2 | 0 | 0 | 0 | 112.8 | L13 S14 T20 A21 | L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.28Å; L13-L17 VanDerWaalsContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 2.95Å; L17-T20 WeakPolarHBondContact CA-OG1 3.48Å; L17-T20 PolarHBondContact O-OG1 3.15Å; L17-T20 VanDerWaalsContact O-OG1 3.05Å; L17-A21 PolarHBondContact O-N 2.93Å |
| 18 | L | 41.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 104.5 Ų | 104.5 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.5 | -40.4 | 172.3 | -97 | 105.7 | 0 | 0 | 0 | 112 | S14 A15 T20 A21 E22 | S14-L18 VanDerWaalsContact O-CD1 3.24Å; S14-L18 WeakPolarHBondContact O-CD1 3.27Å; S14-L18 PolarHBondContact O-N 2.83Å; A15-L18 PolarHBondContact O-N 3.33Å; L18-T20 VanDerWaalsContact C-N 3.3Å; L18-T20 PolarHBondContact O-N 3.5Å; L18-A21 PolarHBondContact O-N 3.48Å; L18-E22 PolarHBondContact O-N 3.49Å |
| 19 | C | 39.4 | Very low | 41 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.2 | -29 | 177.8 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | A15 | A15-C19 PolarHBondContact O-N 2.88Å; A15-C19 PolarHBondContact O-SG 3.05Å; A15-C19 VanDerWaalsContact O-SG 3.37Å |
| 20 | T | 43.8 | Very low | 40.3 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.7 | -23.2 | 175.7 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | S16 L17 L18 | S16-T20 PolarHBondContact O-N 3.34Å; S16-T20 PolarHBondContact O-OG1 3.44Å; S16-T20 VanDerWaalsContact O-OG1 3.08Å; L17-T20 WeakPolarHBondContact CA-OG1 3.48Å; L17-T20 PolarHBondContact O-OG1 3.15Å; L17-T20 VanDerWaalsContact O-OG1 3.05Å; L18-T20 VanDerWaalsContact C-N 3.3Å; L18-T20 PolarHBondContact O-N 3.5Å |
| 21 | A | 34 | Very low | 39.8 | Very low | 80 Ų | 80 | 104.3 Ų | 104.3 | 66% | 0.661 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.3 | -33.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L17 L18 | L17-A21 PolarHBondContact O-N 2.93Å; L18-A21 PolarHBondContact O-N 3.48Å |
| 22 | E | 39.8 | Very low | 39.6 | Very low | 169 Ų | 169 | 106.1 Ų | 106.1 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.1 | -26 | 177.1 | -72.4 | -95.9 | 124.9 | 0 | 0 | 112.9 | L18 G24 | L18-E22 PolarHBondContact O-N 3.49Å; E22-G24 VanDerWaalsContact C-N 3.26Å; E22-G24 PolarHBondContact O-N 3.28Å |
| 23 | A | 32.3 | Very low | 39 | Very low | 86 Ų | 86 | 110 Ų | 110 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -3.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R25 | A23-R25 PolarHBondContact O-N 2.87Š|
| 24 | G | 34.8 | Very low | 38.3 | Very low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E22 G26 | E22-G24 VanDerWaalsContact C-N 3.26Å; E22-G24 PolarHBondContact O-N 3.28Å; G24-G26 PolarHBondContact O-N 2.78Å |
| 25 | R | 35 | Very low | 38.2 | Very low | 254 Ų | 254 | 113 Ų | 113 | 96% | 0.958 | 68% | 0.676 | S | S | * | * | trans | -97 | 63.4 | 177.2 | -111 | 179.9 | 141.8 | 131.2 | -4.2 | 111 | A23 | A23-R25 PolarHBondContact O-N 2.87Š| ||
| 26 | G | 31 | Very low | 38 | Very low | 63 Ų | 63 | 118.3 Ų | 118.3 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -170.2 | 100.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G24 | G24-G26 PolarHBondContact O-N 2.78Š|
| 27 | R | 32.5 | Very low | 37.6 | Very low | 254 Ų | 254 | 124.5 Ų | 124.5 | 96% | 0.958 | 70% | 0.703 | S | S | * | * | trans | 77 | 110.8 | 154.1 | -100.3 | 166.3 | 161.6 | 135.7 | -5.5 | 119.5 | ||||
| 28 | S | 34.6 | Very low | 37.7 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -47.6 | 144.1 | 157.4 | 178 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 29 | G | 32.8 | Very low | 38 | Very low | 65 Ų | 65 | 126.4 Ų | 126.4 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | 147.1 | 98.9 | 158 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 30 | S | 37.2 | Very low | 38.1 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | trans | 30.5 | 99.2 | 145.6 | -163.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 31 | S | 36.2 | Very low | 38.2 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 48% | 0.476 | 69% | 0.685 | S | S | . | * | trans | 176 | 75.4 | 159.9 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | S35 | S31-S35 PolarHBondContact O-OG 3.4Š| ||
| 32 | N | 42.3 | Very low | 39 | Very low | 151 Ų | 151 | 121.3 Ų | 121.3 | 81% | 0.807 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 4 | -166.3 | -148.8 | 26.7 | 0 | 0 | 0 | 116 | ||
| 33 | Q | 39.1 | Very low | 39.5 | Very low | 165 Ų | 165 | 118 Ų | 118 | 77% | 0.771 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -31.3 | 177.5 | -82 | -175.8 | -18.6 | 0 | 0 | 113.7 | ||
| 34 | N | 34.4 | Very low | 40.1 | Very low | 108 Ų | 108 | 122 Ų | 122 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85 | -23.9 | -178.9 | -69.4 | -17.8 | 0 | 0 | 0 | 112.7 | R38 | N34-R38 WeakPolarHBondContact O-CB 3.37Å; N34-R38 PolarHBondContact O-N 3.2Å; N34-R38 VanDerWaalsContact O-N 3.13Å |
| 35 | S | 45 | Very low | 40.8 | Very low | 59 Ų | 59 | 125.3 Ų | 125.3 | 41% | 0.413 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.1 | -36.6 | 174 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | S31 R38 A39 | S31-S35 PolarHBondContact O-OG 3.4Å; S35-R38 PolarHBondContact O-N 3.01Å; S35-A39 WeakPolarHBondContact O-CA 3.47Å; S35-A39 WeakPolarHBondContact O-CB 3.23Å; S35-A39 PolarHBondContact O-N 3.19Å |
| 36 | F | 39.2 | Very low | 41.5 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.9 | -39.6 | 179.8 | -155 | -92.2 | 0 | 0 | 0 | 111.8 | A40 | F36-A40 WeakPolarHBondContact O-CA 3.47Å; F36-A40 WeakPolarHBondContact O-CB 3.43Å; F36-A40 PolarHBondContact O-N 3.08Å |
| 37 | R | 39.8 | Very low | 42.2 | Very low | 192 Ų | 192 | 117.9 Ų | 117.9 | 73% | 0.725 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -37.4 | 173 | -76.9 | 177.9 | 76 | 177.5 | 3.8 | 112.5 | N41 | R37-N41 VanDerWaalsContact O-CB 3.27Å; R37-N41 WeakPolarHBondContact O-CB 3.08Å; R37-N41 PolarHBondContact O-N 3.34Å |
| 38 | R | 47.6 | Very low | 42.7 | Very low | 210 Ų | 210 | 109 Ų | 109 | 79% | 0.792 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.1 | -38.4 | 174.8 | -94.6 | -178.8 | 168.9 | 157.1 | -2.3 | 113 | N34 S35 G42 | N34-R38 WeakPolarHBondContact O-CB 3.37Å; N34-R38 PolarHBondContact O-N 3.2Å; N34-R38 VanDerWaalsContact O-N 3.13Å; S35-R38 PolarHBondContact O-N 3.01Å; R38-G42 PolarHBondContact O-N 2.98Å |
| 39 | A | 47.2 | Very low | 43.5 | Very low | 51 Ų | 51 | 107.1 Ų | 107.1 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.8 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S35 G42 I43 | S35-A39 WeakPolarHBondContact O-CA 3.47Å; S35-A39 WeakPolarHBondContact O-CB 3.23Å; S35-A39 PolarHBondContact O-N 3.19Å; A39-G42 PolarHBondContact O-N 3.48Å; A39-I43 VanDerWaalsContact O-CB 3.29Å; A39-I43 WeakPolarHBondContact O-CB 2.97Å; A39-I43 WeakPolarHBondContact O-CD1 3.43Å; A39-I43 WeakPolarHBondContact O-CG1 3.35Å; A39-I43 PolarHBondContact O-N 3.38Å |
| 40 | A | 40.7 | Very low | 44.2 | Very low | 29 Ų | 29 | 108.6 Ų | 108.6 | 24% | 0.24 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -61.6 | -50.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F36 G42 I43 Y44 | F36-A40 WeakPolarHBondContact O-CA 3.47Å; F36-A40 WeakPolarHBondContact O-CB 3.43Å; F36-A40 PolarHBondContact O-N 3.08Å; A40-G42 VanDerWaalsContact C-N 3.29Å; A40-G42 PolarHBondContact O-N 3.34Å; A40-I43 PolarHBondContact O-N 3.5Å; A40-Y44 HydrophobicContact CB-CD2 4.45Å; A40-Y44 WeakPolarHBondContact O-CB 3.26Å; A40-Y44 WeakPolarHBondContact O-CD2 3.02Å; A40-Y44 PolarHBondContact O-N 2.84Å |
| 41 | N | 47.1 | Very low | 44.9 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -36.1 | 176.8 | -82.6 | 5.7 | 0 | 0 | 0 | 112.6 | R37 Y44 Q45 | R37-N41 VanDerWaalsContact O-CB 3.27Å; R37-N41 WeakPolarHBondContact O-CB 3.08Å; R37-N41 PolarHBondContact O-N 3.34Å; N41-Y44 PolarHBondContact O-N 3.33Å; N41-Q45 VanDerWaalsContact O-CB 3.3Å; N41-Q45 WeakPolarHBondContact O-CB 3.28Å; N41-Q45 VanDerWaalsContact O-CG 3.26Å; N41-Q45 WeakPolarHBondContact O-CG 3.42Å; N41-Q45 PolarHBondContact O-N 3.17Å |
| 42 | G | 49.7 | Very low | 45.5 | Very low | 30 Ų | 30 | 102.7 Ų | 102.7 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R38 A39 A40 Q45 T46 | R38-G42 PolarHBondContact O-N 2.98Å; A39-G42 PolarHBondContact O-N 3.48Å; A40-G42 VanDerWaalsContact C-N 3.29Å; A40-G42 PolarHBondContact O-N 3.34Å; G42-Q45 PolarHBondContact O-N 2.79Å; G42-T46 PolarHBondContact O-N 3.42Å; G42-T46 PolarHBondContact O-OG1 3.47Å |
| 43 | I | 50.7 | Low | 46 | Very low | 99 Ų | 99 | 102.9 Ų | 102.9 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 174.7 | -71 | 164.8 | 0 | 0 | 0 | 110.6 | A39 A40 T46 L47 | A39-I43 VanDerWaalsContact O-CB 3.29Å; A39-I43 WeakPolarHBondContact O-CB 2.97Å; A39-I43 WeakPolarHBondContact O-CD1 3.43Å; A39-I43 WeakPolarHBondContact O-CG1 3.35Å; A39-I43 PolarHBondContact O-N 3.38Å; A40-I43 PolarHBondContact O-N 3.5Å; I43-T46 WeakPolarHBondContact CA-OG1 3.29Å; I43-T46 PolarHBondContact O-N 2.71Å; I43-T46 PolarHBondContact O-OG1 2.69Å; I43-L47 HydrophobicContact CG2-CD1 3.46Å; I43-L47 VanDerWaalsContact CG2-CD1 3.46Å; I43-L47 HydrophobicContact CG2-CG 4.33Å; I43-L47 WeakPolarHBondContact O-CB 3.39Å; I43-L47 WeakPolarHBondContact O-CD1 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.87Å |
| 44 | Y | 44.4 | Very low | 46.5 | Very low | 169 Ų | 169 | 101.6 Ų | 101.6 | 66% | 0.663 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 173 | -87 | -73 | 0 | 0 | 0 | 111.8 | A40 N41 S48 | A40-Y44 HydrophobicContact CB-CD2 4.45Å; A40-Y44 WeakPolarHBondContact O-CB 3.26Å; A40-Y44 WeakPolarHBondContact O-CD2 3.02Å; A40-Y44 PolarHBondContact O-N 2.84Å; N41-Y44 PolarHBondContact O-N 3.33Å; Y44-S48 WeakPolarHBondContact O-CB 3.32Å; Y44-S48 PolarHBondContact O-N 2.83Å; Y44-S48 PolarHBondContact O-OG 3.19Å |
| 45 | Q | 49.6 | Very low | 47.2 | Very low | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.5 | -34.9 | 177.1 | -77.8 | 175 | -22.5 | 0 | 0 | 113 | N41 G42 S48 S49 | N41-Q45 VanDerWaalsContact O-CB 3.3Å; N41-Q45 WeakPolarHBondContact O-CB 3.28Å; N41-Q45 VanDerWaalsContact O-CG 3.26Å; N41-Q45 WeakPolarHBondContact O-CG 3.42Å; N41-Q45 PolarHBondContact O-N 3.17Å; G42-Q45 PolarHBondContact O-N 2.79Å; Q45-S48 PolarHBondContact O-OG 3.39Å; Q45-S49 WeakPolarHBondContact O-CB 3.14Å; Q45-S49 PolarHBondContact O-N 2.83Å; Q45-S49 PolarHBondContact O-OG 3.27Å |
| 46 | T | 50.8 | Low | 47.4 | Very low | 82 Ų | 82 | 100.9 Ų | 100.9 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.4 | -36.6 | 172.9 | 32.8 | 0 | 0 | 0 | 0 | 112.2 | G42 I43 S49 V50 | G42-T46 PolarHBondContact O-N 3.42Å; G42-T46 PolarHBondContact O-OG1 3.47Å; I43-T46 WeakPolarHBondContact CA-OG1 3.29Å; I43-T46 PolarHBondContact O-N 2.71Å; I43-T46 PolarHBondContact O-OG1 2.69Å; T46-S49 WeakPolarHBondContact CA-OG 3.37Å; T46-S49 PolarHBondContact O-OG 3.02Å; T46-V50 WeakPolarHBondContact O-CB 3.43Å; T46-V50 VanDerWaalsContact O-CG2 3.28Å; T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.95Å |
| 47 | L | 44.5 | Very low | 48 | Very low | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.414 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 169.9 | -81.2 | 158.8 | 0 | 0 | 0 | 111.6 | I43 F51 | I43-L47 HydrophobicContact CG2-CD1 3.46Å; I43-L47 VanDerWaalsContact CG2-CD1 3.46Å; I43-L47 HydrophobicContact CG2-CG 4.33Å; I43-L47 WeakPolarHBondContact O-CB 3.39Å; I43-L47 WeakPolarHBondContact O-CD1 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.87Å; L47-F51 WeakPolarHBondContact O-CA 3.24Å; L47-F51 WeakPolarHBondContact O-CB 3.37Å; L47-F51 PolarHBondContact O-N 2.98Å |
| 48 | S | 43.4 | Very low | 48.3 | Very low | 69 Ų | 69 | 93.4 Ų | 93.4 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 178.5 | 75.7 | 0 | 0 | 0 | 0 | 111.9 | Y44 Q45 G52 | Y44-S48 WeakPolarHBondContact O-CB 3.32Å; Y44-S48 PolarHBondContact O-N 2.83Å; Y44-S48 PolarHBondContact O-OG 3.19Å; Q45-S48 PolarHBondContact O-OG 3.39Å; S48-G52 PolarHBondContact O-N 3.46Å |
| 49 | S | 51.4 | Low | 48.3 | Very low | 90 Ų | 90 | 87.1 Ų | 87.1 | 63% | 0.629 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -77.2 | -33.4 | -179.1 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | Q45 T46 | Q45-S49 WeakPolarHBondContact O-CB 3.14Å; Q45-S49 PolarHBondContact O-N 2.83Å; Q45-S49 PolarHBondContact O-OG 3.27Å; T46-S49 WeakPolarHBondContact CA-OG 3.37Å; T46-S49 PolarHBondContact O-OG 3.02Å |
| 50 | V | 48.4 | Very low | 48.3 | Very low | 97 Ų | 97 | 92.8 Ų | 92.8 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -93.3 | -31.8 | -179.2 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | T46 | T46-V50 WeakPolarHBondContact O-CB 3.43Å; T46-V50 VanDerWaalsContact O-CG2 3.28Å; T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.95Å |
| 51 | F | 52.3 | Low | 48.8 | Very low | 42 Ų | 42 | 98.6 Ų | 98.6 | 18% | 0.184 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -97.3 | -20.7 | -171.5 | -124.9 | -96.6 | 0 | 0 | 0 | 113.5 | L13 L47 N55 I56 L59 | L13-F51 HydrophobicContact CD1-CE2 4.26Å; L47-F51 WeakPolarHBondContact O-CA 3.24Å; L47-F51 WeakPolarHBondContact O-CB 3.37Å; L47-F51 PolarHBondContact O-N 2.98Å; F51-N55 HydrophobicContact CD1-CB 3.77Å; F51-N55 HydrophobicContact CE1-CB 4.13Å; F51-N55 WeakPolarHBondContact CE1-ND2 3.46Å; F51-N55 WeakPolarHBondContact O-CB 3.42Å; F51-I56 HydrophobicContact CB-CG1 4.2Å; F51-I56 HydrophobicContact CD1-CG1 4.41Å; F51-L59 HydrophobicContact CE1-CD1 3.65Å; F51-L59 HydrophobicContact CZ-CD1 4.01Å |
| 52 | G | 47.4 | Very low | 49 | Very low | 32 Ų | 32 | 100.9 Ų | 100.9 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | trans | 66.6 | 136.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S48 D54 N55 I56 | S48-G52 PolarHBondContact O-N 3.46Å; G52-D54 PolarHBondContact O-N 3.28Å; G52-N55 PolarHBondContact O-N 3.35Å; G52-I56 PolarHBondContact O-N 3.32Å | ||
| 53 | E | 53.8 | Low | 49.2 | Very low | 155 Ų | 155 | 102.7 Ų | 102.7 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.9 | -30.6 | -173.4 | -161 | 164.9 | 167.6 | 0 | 0 | 113.2 | R57 | E53-R57 PolarHBondContact O-N 3.36Å |
| 54 | D | 49.7 | Very low | 49.2 | Very low | 138 Ų | 138 | 100.9 Ų | 100.9 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -34.4 | 177 | -62.7 | -40.4 | 0 | 0 | 0 | 113.7 | G52 A58 | G52-D54 PolarHBondContact O-N 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.35Å; D54-A58 PolarHBondContact O-N 3.44Å |
| 55 | N | 49.2 | Very low | 49.4 | Very low | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -86.1 | -28.2 | -175.3 | -134.3 | 37.5 | 0 | 0 | 0 | 111.1 | F51 G52 R57 A58 L59 | F51-N55 HydrophobicContact CD1-CB 3.77Å; F51-N55 HydrophobicContact CE1-CB 4.13Å; F51-N55 WeakPolarHBondContact CE1-ND2 3.46Å; F51-N55 WeakPolarHBondContact O-CB 3.42Å; G52-N55 PolarHBondContact O-N 3.35Å; N55-R57 VanDerWaalsContact C-N 3.34Å; N55-A58 PolarHBondContact O-N 2.91Å; N55-L59 VanDerWaalsContact O-CB 3.3Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 2.9Å |
| 56 | I | 49.2 | Very low | 49.5 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 168.1 | -63.8 | 170.6 | 0 | 0 | 0 | 109.9 | F51 G52 A58 L59 Y60 | F51-I56 HydrophobicContact CB-CG1 4.2Å; F51-I56 HydrophobicContact CD1-CG1 4.41Å; G52-I56 PolarHBondContact O-N 3.32Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-L59 PolarHBondContact O-N 2.91Å; I56-Y60 WeakPolarHBondContact O-CB 3.44Å; I56-Y60 PolarHBondContact O-N 3.49Å |
| 57 | R | 50.3 | Low | 49.5 | Very low | 171 Ų | 171 | 91.6 Ų | 91.6 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 173.4 | -171.2 | -180 | -64.3 | -116.6 | 0.1 | 111.7 | E53 N55 K61 | E53-R57 PolarHBondContact O-N 3.36Å; N55-R57 VanDerWaalsContact C-N 3.34Å; R57-K61 VanDerWaalsContact O-CB 3.25Å; R57-K61 WeakPolarHBondContact O-CB 3.34Å; R57-K61 PolarHBondContact O-N 2.9Å |
| 58 | A | 46.9 | Very low | 49.9 | Very low | 29 Ų | 29 | 93 Ų | 93 | 24% | 0.24 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D54 N55 I56 Y60 K61 F62 | D54-A58 WeakPolarHBondContact O-CB 3.35Å; D54-A58 PolarHBondContact O-N 3.44Å; N55-A58 PolarHBondContact O-N 2.91Å; I56-A58 VanDerWaalsContact C-N 3.35Å; A58-Y60 PolarHBondContact O-N 3.43Å; A58-K61 CarbonylContact O-C 3.59Å; A58-K61 PolarHBondContact O-N 3.43Å; A58-K61 VanDerWaalsContact O-N 3.16Å; A58-F62 HydrophobicContact CB-CD2 4.4Å; A58-F62 HydrophobicContact CB-CE2 4.32Å; A58-F62 WeakPolarHBondContact O-CB 3.32Å; A58-F62 WeakPolarHBondContact O-CD2 3.02Å; A58-F62 PolarHBondContact O-N 3.05Å |
| 59 | L | 47.3 | Very low | 50.5 | Low | 78 Ų | 78 | 98 Ų | 98 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.5 | -145.9 | 99.3 | 0 | 0 | 0 | 111.2 | F51 N55 I56 K61 F62 F63 | F51-L59 HydrophobicContact CE1-CD1 3.65Å; F51-L59 HydrophobicContact CZ-CD1 4.01Å; N55-L59 VanDerWaalsContact O-CB 3.3Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 2.9Å; I56-L59 PolarHBondContact O-N 2.91Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.89Å; L59-F62 PolarHBondContact O-N 3.44Å; L59-F63 HydrophobicContact CD2-CD2 4.12Å; L59-F63 HydrophobicContact CD2-CE2 3.53Å; L59-F63 HydrophobicContact CG-CD2 4.18Å; L59-F63 HydrophobicContact CG-CE2 3.8Å; L59-F63 WeakPolarHBondContact O-CD2 3.13Å; L59-F63 PolarHBondContact O-N 2.93Å |
| 60 | Y | 48.4 | Very low | 50.8 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 175.3 | -171.5 | -94.7 | 0 | 0 | 0 | 111.6 | I56 A58 F63 S64 | I56-Y60 WeakPolarHBondContact O-CB 3.44Å; I56-Y60 PolarHBondContact O-N 3.49Å; A58-Y60 PolarHBondContact O-N 3.43Å; Y60-F63 PolarHBondContact O-N 3.07Å; Y60-S64 WeakPolarHBondContact O-CB 3.29Å; Y60-S64 PolarHBondContact O-N 2.74Å |
| 61 | K | 49.1 | Very low | 51.3 | Low | 151 Ų | 151 | 95.6 Ų | 95.6 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69 | -33.6 | 176.3 | -165.7 | 172 | -173.8 | 173.2 | 0 | 112.6 | R57 A58 L59 K65 | R57-K61 VanDerWaalsContact O-CB 3.25Å; R57-K61 WeakPolarHBondContact O-CB 3.34Å; R57-K61 PolarHBondContact O-N 2.9Å; A58-K61 CarbonylContact O-C 3.59Å; A58-K61 PolarHBondContact O-N 3.43Å; A58-K61 VanDerWaalsContact O-N 3.16Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.89Å; K61-K65 WeakPolarHBondContact O-CB 3.21Å; K61-K65 PolarHBondContact O-N 2.72Å; K61-K65 VanDerWaalsContact O-N 3.09Å |
| 62 | F | 51.8 | Low | 51.7 | Low | 151 Ų | 151 | 99.1 Ų | 99.1 | 66% | 0.662 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.8 | -43.4 | 171.8 | -81.9 | -66.9 | 0 | 0 | 0 | 111.1 | A58 L59 K65 A66 | A58-F62 HydrophobicContact CB-CD2 4.4Å; A58-F62 HydrophobicContact CB-CE2 4.32Å; A58-F62 WeakPolarHBondContact O-CB 3.32Å; A58-F62 WeakPolarHBondContact O-CD2 3.02Å; A58-F62 PolarHBondContact O-N 3.05Å; L59-F62 PolarHBondContact O-N 3.44Å; F62-K65 PolarHBondContact O-N 3.26Å; F62-A66 WeakPolarHBondContact O-CB 3.28Å; F62-A66 PolarHBondContact O-N 3.47Å |
| 63 | F | 54.2 | Low | 52.5 | Low | 69 Ų | 69 | 99.5 Ų | 99.5 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.1 | -81.3 | -56.1 | 0 | 0 | 0 | 111.7 | L59 Y60 K65 A66 T67 I154 | L59-F63 HydrophobicContact CD2-CD2 4.12Å; L59-F63 HydrophobicContact CD2-CE2 3.53Å; L59-F63 HydrophobicContact CG-CD2 4.18Å; L59-F63 HydrophobicContact CG-CE2 3.8Å; L59-F63 WeakPolarHBondContact O-CD2 3.13Å; L59-F63 PolarHBondContact O-N 2.93Å; Y60-F63 PolarHBondContact O-N 3.07Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.07Å; F63-A66 PolarHBondContact O-N 3.09Å; F63-T67 WeakPolarHBondContact O-CB 3.2Å; F63-T67 PolarHBondContact O-N 3.28Å; F63-T67 PolarHBondContact O-OG1 3.02Å; F63-I154 HydrophobicContact CD1-CG2 3.57Å; F63-I154 HydrophobicContact CE1-CB 4.22Å; F63-I154 HydrophobicContact CE1-CD1 3.67Å; F63-I154 HydrophobicContact CE1-CG1 4.02Å; F63-I154 HydrophobicContact CE1-CG2 3.24Å; F63-I154 HydrophobicContact CE2-CD1 4.27Å; F63-I154 HydrophobicContact CZ-CD1 3.3Å; F63-I154 HydrophobicContact CZ-CG1 3.84Å; F63-I154 HydrophobicContact CZ-CG2 3.97Å |
| 64 | S | 51 | Low | 52.9 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 43% | 0.427 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.8 | 97.8 | 0 | 0 | 0 | 0 | 111.1 | Y60 T67 E68 | Y60-S64 WeakPolarHBondContact O-CB 3.29Å; Y60-S64 PolarHBondContact O-N 2.74Å; S64-T67 PolarHBondContact O-N 3.37Å; S64-E68 VanDerWaalsContact O-CB 3.31Å; S64-E68 WeakPolarHBondContact O-CB 3.28Å; S64-E68 PolarHBondContact O-N 3.34Å |
| 65 | K | 49.4 | Very low | 53.4 | Low | 107 Ų | 107 | 91.8 Ų | 91.8 | 47% | 0.465 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.3 | -32.4 | 179.4 | -166 | 170.1 | -173.4 | 169.6 | 0 | 113.2 | K61 F62 F63 R69 | K61-K65 WeakPolarHBondContact O-CB 3.21Å; K61-K65 PolarHBondContact O-N 2.72Å; K61-K65 VanDerWaalsContact O-N 3.09Å; F62-K65 PolarHBondContact O-N 3.26Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.07Å; K65-R69 WeakPolarHBondContact O-CG 3.22Å; K65-R69 PolarHBondContact O-N 3.37Å; K65-R69 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 50 | Low | 54.2 | Low | 55 Ų | 55 | 91.6 Ų | 91.6 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F62 F63 R69 F70 | F62-A66 WeakPolarHBondContact O-CB 3.28Å; F62-A66 PolarHBondContact O-N 3.47Å; F63-A66 PolarHBondContact O-N 3.09Å; A66-R69 PolarHBondContact O-N 3.31Å; A66-F70 VanDerWaalsContact O-CB 3.28Å; A66-F70 WeakPolarHBondContact O-CB 3.38Å; A66-F70 PolarHBondContact O-N 3.31Å |
| 67 | T | 50.9 | Low | 55 | Low | 29 Ų | 29 | 90.4 Ų | 90.4 | 18% | 0.178 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | F63 S64 R69 F70 V71 L158 | F63-T67 WeakPolarHBondContact O-CB 3.2Å; F63-T67 PolarHBondContact O-N 3.28Å; F63-T67 PolarHBondContact O-OG1 3.02Å; S64-T67 PolarHBondContact O-N 3.37Å; T67-R69 VanDerWaalsContact C-N 3.33Å; T67-R69 PolarHBondContact O-N 3.22Å; T67-F70 PolarHBondContact O-N 3.34Å; T67-V71 HydrophobicContact CG2-CG2 4.2Å; T67-V71 WeakPolarHBondContact O-CB 3.35Å; T67-V71 VanDerWaalsContact O-CG2 3.22Å; T67-V71 WeakPolarHBondContact O-CG2 3.35Å; T67-V71 PolarHBondContact O-N 2.89Å; T67-L158 HydrophobicContact CG2-CD2 4.07Å; T67-L158 WeakPolarHBondContact OG1-CD1 3.42Å; T67-L158 WeakPolarHBondContact OG1-CD2 3.29Å |
| 68 | E | 54.3 | Low | 55.7 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.5 | -175.2 | -179.3 | -171.3 | 0 | 0 | 111.1 | S64 V71 H72 | S64-E68 VanDerWaalsContact O-CB 3.31Å; S64-E68 WeakPolarHBondContact O-CB 3.28Å; S64-E68 PolarHBondContact O-N 3.34Å; E68-V71 PolarHBondContact O-N 2.84Å; E68-H72 WeakPolarHBondContact O-CB 3.46Å; E68-H72 PolarHBondContact O-CD2 3.3Å; E68-H72 PolarHBondContact O-N 3.08Å |
| 69 | R | 55.4 | Low | 56.9 | Low | 174 Ų | 174 | 89.2 Ų | 89.2 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.8 | -36.1 | 176.1 | -73 | 178.9 | 177.2 | -179.5 | -4.1 | 113.4 | K65 A66 T67 G73 | K65-R69 WeakPolarHBondContact O-CG 3.22Å; K65-R69 PolarHBondContact O-N 3.37Å; K65-R69 VanDerWaalsContact O-N 3.15Å; A66-R69 PolarHBondContact O-N 3.31Å; T67-R69 VanDerWaalsContact C-N 3.33Å; T67-R69 PolarHBondContact O-N 3.22Å; R69-G73 PolarHBondContact O-N 3.43Å |
| 70 | F | 58 | Low | 58 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.1 | -46 | 176.1 | 178.7 | -99.7 | 0 | 0 | 0 | 110.8 | A66 T67 G73 V74 | A66-F70 VanDerWaalsContact O-CB 3.28Å; A66-F70 WeakPolarHBondContact O-CB 3.38Å; A66-F70 PolarHBondContact O-N 3.31Å; T67-F70 PolarHBondContact O-N 3.34Å; F70-G73 CarbonylContact O-C 3.08Å; F70-G73 PolarHBondContact O-N 2.9Å; F70-G73 VanDerWaalsContact O-N 3.15Å; F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CD2-CG2 4.45Å; F70-V74 HydrophobicContact CE1-CG2 3.7Å; F70-V74 HydrophobicContact CE2-CG2 4.05Å; F70-V74 HydrophobicContact CG-CG2 4.49Å; F70-V74 HydrophobicContact CZ-CG2 3.65Å; F70-V74 WeakPolarHBondContact O-CG2 3.28Å; F70-V74 PolarHBondContact O-N 3.45Å |
| 71 | V | 57.9 | Low | 58.9 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | T67 E68 G73 V74 D75 Y162 | T67-V71 HydrophobicContact CG2-CG2 4.2Å; T67-V71 WeakPolarHBondContact O-CB 3.35Å; T67-V71 VanDerWaalsContact O-CG2 3.22Å; T67-V71 WeakPolarHBondContact O-CG2 3.35Å; T67-V71 PolarHBondContact O-N 2.89Å; E68-V71 PolarHBondContact O-N 2.84Å; V71-G73 VanDerWaalsContact C-N 3.29Å; V71-G73 PolarHBondContact O-N 2.93Å; V71-V74 PolarHBondContact O-N 3.39Å; V71-D75 VanDerWaalsContact O-CB 3.28Å; V71-D75 WeakPolarHBondContact O-CB 3.43Å; V71-D75 PolarHBondContact O-N 3.48Å; V71-Y162 HydrophobicContact CG1-CE2 4.08Å; V71-Y162 HydrophobicContact CG2-CD2 3.99Å; V71-Y162 HydrophobicContact CG2-CE2 3.93Å |
| 72 | H | 61.2 | Low | 59.8 | Low | 116 Ų | 116 | 83.8 Ų | 83.8 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 175.1 | -79 | -56.8 | 0 | 0 | 0 | 113.2 | E68 S76 | E68-H72 WeakPolarHBondContact O-CB 3.46Å; E68-H72 PolarHBondContact O-CD2 3.3Å; E68-H72 PolarHBondContact O-N 3.08Å; H72-S76 VanDerWaalsContact O-CB 3.28Å; H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 2.85Å |
| 73 | G | 64.8 | Low | 60.7 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R69 F70 V71 F77 | R69-G73 PolarHBondContact O-N 3.43Å; F70-G73 CarbonylContact O-C 3.08Å; F70-G73 PolarHBondContact O-N 2.9Å; F70-G73 VanDerWaalsContact O-N 3.15Å; V71-G73 VanDerWaalsContact C-N 3.29Å; V71-G73 PolarHBondContact O-N 2.93Å; G73-F77 WeakPolarHBondContact O-CB 3.21Å; G73-F77 PolarHBondContact O-N 2.87Å |
| 74 | V | 61 | Low | 61.4 | Low | 49 Ų | 49 | 84.9 Ų | 84.9 | 30% | 0.297 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F70 V71 F77 M78 | F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CD2-CG2 4.45Å; F70-V74 HydrophobicContact CE1-CG2 3.7Å; F70-V74 HydrophobicContact CE2-CG2 4.05Å; F70-V74 HydrophobicContact CG-CG2 4.49Å; F70-V74 HydrophobicContact CZ-CG2 3.65Å; F70-V74 WeakPolarHBondContact O-CG2 3.28Å; F70-V74 PolarHBondContact O-N 3.45Å; V71-V74 PolarHBondContact O-N 3.39Å; V74-F77 PolarHBondContact O-N 2.96Å; V74-M78 WeakPolarHBondContact O-CB 3.47Å; V74-M78 WeakPolarHBondContact O-CG 3.47Å; V74-M78 PolarHBondContact O-N 3.34Å |
| 75 | D | 62 | Low | 62.1 | Low | 82 Ų | 82 | 84.8 Ų | 84.8 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 178.2 | -155.1 | 40.8 | 0 | 0 | 0 | 110.2 | V71 F77 M78 D79 | V71-D75 VanDerWaalsContact O-CB 3.28Å; V71-D75 WeakPolarHBondContact O-CB 3.43Å; V71-D75 PolarHBondContact O-N 3.48Å; D75-F77 VanDerWaalsContact C-N 3.28Å; D75-F77 PolarHBondContact O-N 2.69Å; D75-M78 PolarHBondContact O-N 3.3Å; D75-D79 WeakPolarHBondContact O-CB 3.3Å; D75-D79 PolarHBondContact O-N 2.85Å |
| 76 | S | 64.8 | Low | 62.7 | Low | 72 Ų | 72 | 81.8 Ų | 81.8 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 174 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | H72 T80 | H72-S76 VanDerWaalsContact O-CB 3.28Å; H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 2.85Å; S76-T80 WeakPolarHBondContact O-CG2 3.36Å; S76-T80 PolarHBondContact O-N 3.23Å; S76-T80 PolarHBondContact O-OG1 3.48Å |
| 77 | F | 65.7 | Low | 63.6 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 177.7 | -176.3 | -110.6 | 0 | 0 | 0 | 111.5 | G73 V74 D75 D79 T80 I81 F132 | G73-F77 WeakPolarHBondContact O-CB 3.21Å; G73-F77 PolarHBondContact O-N 2.87Å; V74-F77 PolarHBondContact O-N 2.96Å; D75-F77 VanDerWaalsContact C-N 3.28Å; D75-F77 PolarHBondContact O-N 2.69Å; F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 3.11Å; F77-T80 WeakPolarHBondContact CA-OG1 3.18Å; F77-T80 PolarHBondContact O-N 3.05Å; F77-T80 PolarHBondContact O-OG1 3.26Å; F77-I81 HydrophobicContact CD1-CD1 3.55Å; F77-I81 HydrophobicContact CD1-CG1 4.45Å; F77-I81 HydrophobicContact CE1-CD1 3.13Å; F77-I81 HydrophobicContact CE1-CG1 4.21Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å; F77-I81 HydrophobicContact CG-CD1 4.27Å; F77-I81 HydrophobicContact CZ-CD1 3.52Å; F77-I81 HydrophobicContact CZ-CG1 4.24Å; F77-I81 WeakPolarHBondContact O-CG1 3.27Å; F77-I81 PolarHBondContact O-N 3.36Å; F77-F132 HydrophobicContact CD1-CD1 4.15Å; F77-F132 HydrophobicContact CD1-CE1 4.08Å; F77-F132 HydrophobicContact CD1-CG 4.45Å; F77-F132 HydrophobicContact CD1-CZ 4.32Å; F77-F132 HydrophobicContact CD2-CE2 4.32Å; F77-F132 HydrophobicContact CE1-CB 4.12Å; F77-F132 AromaticContact CE1-CD1 3.69Å; F77-F132 HydrophobicContact CE1-CD1 3.69Å; F77-F132 HydrophobicContact CE1-CD2 4.09Å; F77-F132 HydrophobicContact CE1-CE1 4.09Å; F77-F132 HydrophobicContact CE1-CE2 4.44Å; F77-F132 AromaticContact CE1-CG 3.69Å; F77-F132 HydrophobicContact CE1-CG 3.69Å; F77-F132 HydrophobicContact CE1-CZ 4.44Å; F77-F132 AromaticContact CE2-CD2 3.97Å; F77-F132 HydrophobicContact CE2-CD2 3.97Å; F77-F132 HydrophobicContact CE2-CE2 4.18Å; F77-F132 HydrophobicContact CE2-CG 4.37Å; F77-F132 HydrophobicContact CG-CZ 4.38Å; F77-F132 HydrophobicContact CZ-CB 3.92Å; F77-F132 HydrophobicContact CZ-CD1 4.14Å; F77-F132 AromaticContact CZ-CD2 3.7Å; F77-F132 HydrophobicContact CZ-CD2 3.7Å; F77-F132 HydrophobicContact CZ-CE2 4.24Å; F77-F132 AromaticContact CZ-CG 3.65Å; F77-F132 HydrophobicContact CZ-CG 3.65Å |
| 78 | M | 65.6 | Low | 64.1 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.5 | -82 | -66.9 | 162.3 | 0 | 0 | 111.5 | V74 D75 T80 I81 W82 L129 | V74-M78 WeakPolarHBondContact O-CB 3.47Å; V74-M78 WeakPolarHBondContact O-CG 3.47Å; V74-M78 PolarHBondContact O-N 3.34Å; D75-M78 PolarHBondContact O-N 3.3Å; M78-T80 VanDerWaalsContact C-N 3.35Å; M78-T80 PolarHBondContact O-N 3.39Å; M78-I81 PolarHBondContact O-N 2.78Å; M78-W82 WeakPolarHBondContact O-CB 3.01Å; M78-W82 PolarHBondContact O-N 2.76Å; M78-L129 HydrophobicContact CE-CD1 3.91Å |
| 79 | D | 71.6 | Confident | 64.4 | Low | 89 Ų | 89 | 81.2 Ų | 81.2 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 173.6 | -85.8 | -9.2 | 0 | 0 | 0 | 112.1 | D75 F77 W82 K83 | D75-D79 WeakPolarHBondContact O-CB 3.3Å; D75-D79 PolarHBondContact O-N 2.85Å; F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 3.11Å; D79-W82 PolarHBondContact O-N 2.99Å; D79-K83 WeakPolarHBondContact O-CB 2.89Å; D79-K83 WeakPolarHBondContact O-CG 2.93Å; D79-K83 PolarHBondContact O-N 3.26Å |
| 80 | T | 70.1 | Confident | 64.9 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | S76 F77 M78 W82 K83 I84 | S76-T80 WeakPolarHBondContact O-CG2 3.36Å; S76-T80 PolarHBondContact O-N 3.23Å; S76-T80 PolarHBondContact O-OG1 3.48Å; F77-T80 WeakPolarHBondContact CA-OG1 3.18Å; F77-T80 PolarHBondContact O-N 3.05Å; F77-T80 PolarHBondContact O-OG1 3.26Å; M78-T80 VanDerWaalsContact C-N 3.35Å; M78-T80 PolarHBondContact O-N 3.39Å; T80-W82 VanDerWaalsContact C-N 3.33Å; T80-K83 PolarHBondContact O-N 3.41Å; T80-I84 WeakPolarHBondContact O-CB 3.33Å; T80-I84 WeakPolarHBondContact O-CD1 3.17Å; T80-I84 VanDerWaalsContact O-CG1 3.26Å; T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.36Å |
| 81 | I | 67.4 | Low | 64.9 | Low | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.226 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.7 | -73.8 | 171.6 | 0 | 0 | 0 | 110.1 | F77 M78 K83 I84 W85 | F77-I81 HydrophobicContact CD1-CD1 3.55Å; F77-I81 HydrophobicContact CD1-CG1 4.45Å; F77-I81 HydrophobicContact CE1-CD1 3.13Å; F77-I81 HydrophobicContact CE1-CG1 4.21Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å; F77-I81 HydrophobicContact CG-CD1 4.27Å; F77-I81 HydrophobicContact CZ-CD1 3.52Å; F77-I81 HydrophobicContact CZ-CG1 4.24Å; F77-I81 WeakPolarHBondContact O-CG1 3.27Å; F77-I81 PolarHBondContact O-N 3.36Å; M78-I81 PolarHBondContact O-N 2.78Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 2.96Å; I81-I84 PolarHBondContact O-N 2.83Å; I81-W85 WeakPolarHBondContact O-CB 3.38Å; I81-W85 PolarHBondContact O-N 2.95Å |
| 82 | W | 68.1 | Low | 64.8 | Low | 176 Ų | 176 | 80.5 Ų | 80.5 | 67% | 0.667 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 179.4 | -174.9 | -97.7 | 0 | 0 | 0 | 111.7 | M78 D79 T80 W85 S86 | M78-W82 WeakPolarHBondContact O-CB 3.01Å; M78-W82 PolarHBondContact O-N 2.76Å; D79-W82 PolarHBondContact O-N 2.99Å; T80-W82 VanDerWaalsContact C-N 3.33Å; W82-W85 WeakPolarHBondContact O-CB 3.33Å; W82-W85 PolarHBondContact O-N 3.44Å; W82-S86 WeakPolarHBondContact O-CB 3.5Å; W82-S86 PolarHBondContact O-N 2.87Å; W82-S86 PolarHBondContact O-OG 2.79Å |
| 83 | K | 70.8 | Confident | 64.4 | Low | 130 Ų | 130 | 78.2 Ų | 78.2 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 172.4 | -78.4 | 174.8 | 176.8 | 170.6 | 0 | 112.4 | D79 T80 I81 W85 S86 D87 | D79-K83 WeakPolarHBondContact O-CB 2.89Å; D79-K83 WeakPolarHBondContact O-CG 2.93Å; D79-K83 PolarHBondContact O-N 3.26Å; T80-K83 PolarHBondContact O-N 3.41Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 2.96Å; K83-W85 PolarHBondContact O-N 3.05Å; K83-S86 PolarHBondContact O-N 3.28Å; K83-S86 PolarHBondContact O-OG 2.76Å; K83-D87 WeakPolarHBondContact O-CB 3.37Å; K83-D87 VanDerWaalsContact O-CG 3.24Å; K83-D87 PolarHBondContact O-N 3.47Å |
| 84 | I | 69.6 | Low | 63.9 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60 | -37.4 | 175.6 | -71.9 | 161.1 | 0 | 0 | 0 | 110.3 | T80 I81 L88 | T80-I84 WeakPolarHBondContact O-CB 3.33Å; T80-I84 WeakPolarHBondContact O-CD1 3.17Å; T80-I84 VanDerWaalsContact O-CG1 3.26Å; T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.36Å; I81-I84 PolarHBondContact O-N 2.83Å; I84-L88 WeakPolarHBondContact O-CB 3.3Å; I84-L88 PolarHBondContact O-N 3.25Å |
| 85 | W | 65.4 | Low | 63.3 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 175.5 | -173.3 | -103 | 0 | 0 | 0 | 112.3 | I81 W82 K83 L88 L89 A121 V122 A125 | I81-W85 WeakPolarHBondContact O-CB 3.38Å; I81-W85 PolarHBondContact O-N 2.95Å; W82-W85 WeakPolarHBondContact O-CB 3.33Å; W82-W85 PolarHBondContact O-N 3.44Å; K83-W85 PolarHBondContact O-N 3.05Å; W85-L88 PolarHBondContact O-N 3.23Å; W85-L89 HydrophobicContact CG-CD1 4.39Å; W85-L89 VanDerWaalsContact NE1-CD1 3.3Å; W85-L89 WeakPolarHBondContact O-CB 3.13Å; W85-L89 VanDerWaalsContact O-CG 3.28Å; W85-L89 WeakPolarHBondContact O-CG 3.48Å; W85-L89 PolarHBondContact O-N 3.15Å; W85-A121 HydrophobicContact CE3-CB 4.44Å; W85-A121 HydrophobicContact CH2-CB 3.31Å; W85-A121 HydrophobicContact CZ2-CB 4.45Å; W85-A121 HydrophobicContact CZ3-CB 3.32Å; W85-A121 WeakPolarHBondContact CZ3-O 3.26Å; W85-V122 HydrophobicContact CH2-CG2 4.07Å; W85-A125 HydrophobicContact CZ3-CB 4.43Å |
| 86 | S | 62.6 | Low | 62.6 | Low | 43 Ų | 43 | 81.2 Ų | 81.2 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | W82 K83 L88 L89 D90 | W82-S86 WeakPolarHBondContact O-CB 3.5Å; W82-S86 PolarHBondContact O-N 2.87Å; W82-S86 PolarHBondContact O-OG 2.79Å; K83-S86 PolarHBondContact O-N 3.28Å; K83-S86 PolarHBondContact O-OG 2.76Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-L89 PolarHBondContact O-N 3.31Å; S86-D90 VanDerWaalsContact O-CB 3.3Å; S86-D90 WeakPolarHBondContact O-CB 3.25Å; S86-D90 PolarHBondContact O-N 2.98Å |
| 87 | D | 68.1 | Low | 61.9 | Low | 99 Ų | 99 | 81.8 Ų | 81.8 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.3 | -70.2 | -0.8 | 0 | 0 | 0 | 110.9 | K83 D90 V91 | K83-D87 WeakPolarHBondContact O-CB 3.37Å; K83-D87 VanDerWaalsContact O-CG 3.24Å; K83-D87 PolarHBondContact O-N 3.47Å; D87-D90 PolarHBondContact O-N 2.86Å; D87-V91 WeakPolarHBondContact O-CB 3.15Å; D87-V91 WeakPolarHBondContact O-CG2 3.12Å; D87-V91 PolarHBondContact O-N 3.07Å |
| 88 | L | 62.2 | Low | 61 | Low | 69 Ų | 69 | 83.2 Ų | 83.2 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.5 | -33.7 | 176.2 | -169.7 | 138.1 | 0 | 0 | 0 | 112.1 | I84 W85 S86 M92 A121 | I84-L88 WeakPolarHBondContact O-CB 3.3Å; I84-L88 PolarHBondContact O-N 3.25Å; W85-L88 PolarHBondContact O-N 3.23Å; S86-L88 VanDerWaalsContact C-N 3.34Å; L88-M92 HydrophobicContact CD2-CE 3.5Å; L88-M92 HydrophobicContact CG-CE 4.49Å; L88-M92 WeakPolarHBondContact O-CB 3.39Å; L88-M92 PolarHBondContact O-N 3.03Å; L88-A121 HydrophobicContact CD2-CB 4.13Å |
| 89 | L | 60.9 | Low | 60.3 | Low | 11 Ų | 11 | 82.6 Ų | 82.6 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 171.8 | -76.3 | 173.8 | 0 | 0 | 0 | 112.1 | W85 S86 M92 G93 I94 L118 | W85-L89 HydrophobicContact CG-CD1 4.39Å; W85-L89 VanDerWaalsContact NE1-CD1 3.3Å; W85-L89 WeakPolarHBondContact O-CB 3.13Å; W85-L89 VanDerWaalsContact O-CG 3.28Å; W85-L89 WeakPolarHBondContact O-CG 3.48Å; W85-L89 PolarHBondContact O-N 3.15Å; S86-L89 PolarHBondContact O-N 3.31Å; L89-M92 WeakPolarHBondContact O-CB 3.17Å; L89-M92 PolarHBondContact O-N 3.48Å; L89-G93 PolarHBondContact O-N 3.39Å; L89-I94 PolarHBondContact O-N 2.92Å; L89-L118 HydrophobicContact CD2-CD2 4.28Å |
| 90 | D | 64.3 | Low | 59.3 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.4 | -45.1 | 179.9 | -164.5 | 26.5 | 0 | 0 | 0 | 111.1 | S86 D87 M92 G93 | S86-D90 VanDerWaalsContact O-CB 3.3Å; S86-D90 WeakPolarHBondContact O-CB 3.25Å; S86-D90 PolarHBondContact O-N 2.98Å; D87-D90 PolarHBondContact O-N 2.86Å; D90-M92 PolarHBondContact O-N 2.81Å; D90-G93 PolarHBondContact O-N 2.82Å |
| 91 | V | 59 | Low | 58.2 | Low | 134 Ų | 134 | 87.8 Ų | 87.8 | 81% | 0.812 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63 | -26.1 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 112.3 | D87 G93 | D87-V91 WeakPolarHBondContact O-CB 3.15Å; D87-V91 WeakPolarHBondContact O-CG2 3.12Å; D87-V91 PolarHBondContact O-N 3.07Å; V91-G93 VanDerWaalsContact C-N 3.27Å |
| 92 | M | 55.6 | Low | 57.2 | Low | 49 Ų | 49 | 93.1 Ų | 93.1 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.8 | 175.5 | -147.4 | -175.9 | -50.6 | 0 | 0 | 113.1 | L88 L89 D90 I94 L117 | L88-M92 HydrophobicContact CD2-CE 3.5Å; L88-M92 HydrophobicContact CG-CE 4.49Å; L88-M92 WeakPolarHBondContact O-CB 3.39Å; L88-M92 PolarHBondContact O-N 3.03Å; L89-M92 WeakPolarHBondContact O-CB 3.17Å; L89-M92 PolarHBondContact O-N 3.48Å; D90-M92 PolarHBondContact O-N 2.81Å; M92-I94 HydrophobicContact SD-CD1 4.19Å; M92-L117 HydrophobicContact CE-CB 4.25Å; M92-L117 HydrophobicContact CG-CD1 4.11Å; M92-L117 HydrophobicContact SD-CB 3.57Å; M92-L117 VanDerWaalsContact SD-CB 3.57Å; M92-L117 HydrophobicContact SD-CD1 3.78Å; M92-L117 HydrophobicContact SD-CG 4.24Å |
| 93 | G | 53.3 | Low | 56.3 | Low | 68 Ų | 68 | 93.4 Ų | 93.4 | 70% | 0.701 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 22.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L89 D90 V91 | L89-G93 PolarHBondContact O-N 3.39Å; D90-G93 PolarHBondContact O-N 2.82Å; V91-G93 VanDerWaalsContact C-N 3.27Å |
| 94 | I | 54.2 | Low | 55 | Low | 42 Ų | 42 | 89.8 Ų | 89.8 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | trans | -103.6 | 96.9 | 178.1 | -61.5 | 176.2 | 0 | 0 | 0 | 108.4 | L89 M92 S96 | L89-I94 PolarHBondContact O-N 2.92Å; M92-I94 HydrophobicContact SD-CD1 4.19Å; I94-S96 PolarHBondContact O-N 3.41Å | ||
| 95 | D | 48.3 | Very low | 53.9 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | trans | -60.2 | 116.4 | 176.5 | -121.3 | -38.8 | 0 | 0 | 0 | 110.9 | S97 N98 | D95-S97 PolarHBondContact O-N 2.82Å; D95-N98 PolarHBondContact O-N 2.61Å | ||
| 96 | S | 46.6 | Very low | 53 | Low | 83 Ų | 83 | 94 Ų | 94 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -62.9 | -12.9 | -176.5 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | I94 N98 | I94-S96 PolarHBondContact O-N 3.41Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 3.2Å |
| 97 | S | 50.8 | Low | 52.1 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 58% | 0.58 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -74.9 | -14.9 | 179.8 | 55 | 0 | 0 | 0 | 0 | 114.2 | D95 | D95-S97 PolarHBondContact O-N 2.82Š|
| 98 | N | 47 | Very low | 51 | Low | 82 Ų | 82 | 94.6 Ų | 94.6 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -118.1 | 12.4 | -176.3 | -75.4 | -81.2 | 0 | 0 | 0 | 114.3 | D95 S96 S100 H101 Y102 | D95-N98 PolarHBondContact O-N 2.61Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 3.2Å; N98-S100 PolarHBondContact O-N 3.41Å; N98-S100 VanDerWaalsContact O-N 3.13Å; N98-H101 PolarHBondContact O-N 2.84Å; N98-Y102 HydrophobicContact CB-CD2 4.17Å; N98-Y102 HydrophobicContact CB-CE2 4.04Å; N98-Y102 WeakPolarHBondContact O-CD2 3.18Å |
| 99 | L | 51.1 | Low | 50.2 | Low | 73 Ų | 73 | 95.9 Ų | 95.9 | 38% | 0.382 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -54.7 | -33.4 | -177.4 | -84.4 | 165.2 | 0 | 0 | 0 | 113.7 | H101 F103 | L99-H101 VanDerWaalsContact C-N 3.29Å; L99-H101 PolarHBondContact O-N 3.18Å; L99-F103 WeakPolarHBondContact O-CD2 3.33Å |
| 100 | S | 51.2 | Low | 49.7 | Very low | 116 Ų | 116 | 102.3 Ų | 102.3 | 81% | 0.811 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.7 | -23.3 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 114 | N98 | N98-S100 PolarHBondContact O-N 3.41Å; N98-S100 VanDerWaalsContact O-N 3.13Å |
| 101 | H | 45.2 | Very low | 49.2 | Very low | 147 Ų | 147 | 98.7 Ų | 98.7 | 68% | 0.681 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -93.1 | -18.9 | -178 | -155.5 | -81.7 | 0 | 0 | 0 | 113.1 | N98 L99 | N98-H101 PolarHBondContact O-N 2.84Å; L99-H101 VanDerWaalsContact C-N 3.29Å; L99-H101 PolarHBondContact O-N 3.18Å |
| 102 | Y | 46.9 | Very low | 49 | Very low | 156 Ų | 156 | 97 Ų | 97 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -94.3 | -5.5 | 178.5 | -75.1 | -77.7 | 0 | 0 | 0 | 114.5 | N98 S104 | N98-Y102 HydrophobicContact CB-CD2 4.17Å; N98-Y102 HydrophobicContact CB-CE2 4.04Å; N98-Y102 WeakPolarHBondContact O-CD2 3.18Å; Y102-S104 PolarHBondContact O-N 3.46Å |
| 103 | F | 49.4 | Very low | 49.1 | Very low | 182 Ų | 182 | 97.7 Ų | 97.7 | 80% | 0.798 | 57% | 0.571 | S | S | * | * | trans | -75.9 | 8 | 170.5 | -99.6 | -74.7 | 0 | 0 | 0 | 114.1 | L99 | L99-F103 WeakPolarHBondContact O-CD2 3.33Š| ||
| 104 | S | 42.9 | Very low | 49.2 | Very low | 53 Ų | 53 | 101.8 Ų | 101.8 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -81.2 | 124.9 | 170.1 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | Y102 T106 S107 | Y102-S104 PolarHBondContact O-N 3.46Å; S104-T106 PolarHBondContact O-N 3.23Å; S104-T106 PolarHBondContact OG-OG1 3.14Å; S104-S107 PolarHBondContact O-N 2.82Å |
| 105 | L | 46.3 | Very low | 49.2 | Very low | 157 Ų | 157 | 101.1 Ų | 101.1 | 82% | 0.822 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | -14.7 | -176.6 | -164.2 | 63.6 | 0 | 0 | 0 | 114.9 | ||
| 106 | T | 47.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 64% | 0.638 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -24.8 | -179.6 | 44 | 0 | 0 | 0 | 0 | 114.6 | S104 | S104-T106 PolarHBondContact O-N 3.23Å; S104-T106 PolarHBondContact OG-OG1 3.14Å |
| 107 | S | 43 | Very low | 50.7 | Low | 51 Ų | 51 | 101.4 Ų | 101.4 | 36% | 0.357 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -16.6 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 113.6 | S104 S109 | S104-S107 PolarHBondContact O-N 2.82Å; S107-S109 VanDerWaalsContact C-N 3.3Å; S107-S109 PolarHBondContact O-N 3.35Å |
| 108 | L | 45.4 | Very low | 51.3 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -20.7 | 178.6 | -157.2 | 68.3 | 0 | 0 | 0 | 112.5 | A115 | L108-A115 HydrophobicContact CD1-CB 3.64Å; L108-A115 HydrophobicContact CG-CB 4.07Å |
| 109 | S | 46.3 | Very low | 52.3 | Low | 97 Ų | 97 | 102 Ų | 102 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -18.8 | 179.7 | 79.6 | 0 | 0 | 0 | 0 | 114.2 | S107 | S107-S109 VanDerWaalsContact C-N 3.3Å; S107-S109 PolarHBondContact O-N 3.35Å |
| 110 | N | 50.4 | Low | 53.1 | Low | 146 Ų | 146 | 101 Ų | 101 | 78% | 0.781 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -91.3 | -9.8 | -172.4 | -101.2 | -5.7 | 0 | 0 | 0 | 115 | ||
| 111 | S | 52.7 | Low | 53.8 | Low | 36 Ų | 36 | 95.9 Ų | 95.9 | 25% | 0.252 | 52% | 0.523 | S | S | . | . | trans | -147.7 | 88.3 | 175.8 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | A113 R114 A115 | S111-A113 PolarHBondContact O-N 2.83Å; S111-A113 VanDerWaalsContact O-N 3.11Å; S111-R114 PolarHBondContact O-N 3.09Å; S111-A115 PolarHBondContact O-N 3.46Å | ||
| 112 | P | 56.2 | Low | 54.9 | Low | 98 Ų | 98 | 93 Ų | 93 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -28.5 | -175.8 | 22.4 | -33 | 0 | 0 | 0 | 113 | R114 L116 | P112-R114 PolarHBondContact O-N 3.16Å; P112-L116 WeakPolarHBondContact O-CB 3.18Å; P112-L116 VanDerWaalsContact O-CG 3.28Å; P112-L116 WeakPolarHBondContact O-CG 3.5Å; P112-L116 PolarHBondContact O-N 3.27Å |
| 113 | A | 56.4 | Low | 56 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S111 L116 L117 | S111-A113 PolarHBondContact O-N 2.83Å; S111-A113 VanDerWaalsContact O-N 3.11Å; A113-L116 PolarHBondContact O-N 2.77Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.25Å; A113-L117 PolarHBondContact O-N 3.48Å |
| 114 | R | 54.7 | Low | 57 | Low | 154 Ų | 154 | 86.2 Ų | 86.2 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76.6 | -35.8 | -178.8 | -65.9 | -175.6 | -178.1 | 160.3 | -2.3 | 112.1 | S111 P112 L116 L117 L118 | S111-R114 PolarHBondContact O-N 3.09Å; P112-R114 PolarHBondContact O-N 3.16Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-L117 PolarHBondContact O-N 3.46Å; R114-L118 PolarHBondContact O-N 3.31Å |
| 115 | A | 56 | Low | 58.1 | Low | 27 Ų | 27 | 85.4 Ų | 85.4 | 22% | 0.223 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L108 S111 L118 L119 | L108-A115 HydrophobicContact CD1-CB 3.64Å; L108-A115 HydrophobicContact CG-CB 4.07Å; S111-A115 PolarHBondContact O-N 3.46Å; A115-L118 PolarHBondContact O-N 3.23Å; A115-L119 VanDerWaalsContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CB 3.34Å; A115-L119 PolarHBondContact O-N 2.87Å |
| 116 | L | 61.7 | Low | 58.9 | Low | 113 Ų | 113 | 84.5 Ų | 84.5 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 175.1 | -74.6 | 172.5 | 0 | 0 | 0 | 112.4 | P112 A113 R114 L119 A120 | P112-L116 WeakPolarHBondContact O-CB 3.18Å; P112-L116 VanDerWaalsContact O-CG 3.28Å; P112-L116 WeakPolarHBondContact O-CG 3.5Å; P112-L116 PolarHBondContact O-N 3.27Å; A113-L116 PolarHBondContact O-N 2.77Å; R114-L116 VanDerWaalsContact C-N 3.35Å; L116-L119 PolarHBondContact O-N 2.96Å; L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 3.44Å |
| 117 | L | 63.9 | Low | 60.2 | Low | 86 Ų | 86 | 87.2 Ų | 87.2 | 45% | 0.45 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 175.8 | -73.2 | 170 | 0 | 0 | 0 | 112.1 | M92 A113 R114 A120 A121 | M92-L117 HydrophobicContact CE-CB 4.25Å; M92-L117 HydrophobicContact CG-CD1 4.11Å; M92-L117 HydrophobicContact SD-CB 3.57Å; M92-L117 VanDerWaalsContact SD-CB 3.57Å; M92-L117 HydrophobicContact SD-CD1 3.78Å; M92-L117 HydrophobicContact SD-CG 4.24Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.25Å; A113-L117 PolarHBondContact O-N 3.48Å; R114-L117 PolarHBondContact O-N 3.46Å; L117-A120 PolarHBondContact O-N 2.82Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 2.85Å |
| 118 | L | 62.5 | Low | 61.2 | Low | 64 Ų | 64 | 90.8 Ų | 90.8 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.1 | -78.7 | 175.2 | 0 | 0 | 0 | 111.8 | L89 R114 A115 A121 V122 | L89-L118 HydrophobicContact CD2-CD2 4.28Å; R114-L118 PolarHBondContact O-N 3.31Å; A115-L118 PolarHBondContact O-N 3.23Å; L118-A121 PolarHBondContact O-N 3.49Å; L118-V122 WeakPolarHBondContact O-CB 3.34Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.14Å; L118-V122 PolarHBondContact O-N 2.92Å |
| 119 | L | 69.6 | Low | 62 | Low | 113 Ų | 113 | 88.9 Ų | 88.9 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 176.4 | -173 | 69.2 | 0 | 0 | 0 | 110.9 | A115 L116 A121 V122 L123 | A115-L119 VanDerWaalsContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CB 3.34Å; A115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.96Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.88Å; L119-V122 PolarHBondContact O-N 3.33Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.45Å |
| 120 | A | 67.4 | Low | 62.7 | Low | 53 Ų | 53 | 86 Ų | 86 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L116 L117 L123 L124 | L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 3.44Å; L117-A120 PolarHBondContact O-N 2.82Å; A120-L123 PolarHBondContact O-N 3.3Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 PolarHBondContact O-N 2.88Å |
| 121 | A | 65.8 | Low | 63.5 | Low | 9 Ų | 9 | 84.9 Ų | 84.9 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | W85 L88 L117 L118 L119 L123 L124 A125 | W85-A121 HydrophobicContact CE3-CB 4.44Å; W85-A121 HydrophobicContact CH2-CB 3.31Å; W85-A121 HydrophobicContact CZ2-CB 4.45Å; W85-A121 HydrophobicContact CZ3-CB 3.32Å; W85-A121 WeakPolarHBondContact CZ3-O 3.26Å; L88-A121 HydrophobicContact CD2-CB 4.13Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 2.85Å; L118-A121 PolarHBondContact O-N 3.49Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.88Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.42Å; A121-L124 PolarHBondContact O-N 3.44Å; A121-A125 WeakPolarHBondContact O-CB 3.26Å; A121-A125 PolarHBondContact O-N 3.41Å |
| 122 | V | 68.2 | Low | 64.2 | Low | 86 Ų | 86 | 86.5 Ų | 86.5 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | W85 L118 L119 L124 A125 Y126 | W85-V122 HydrophobicContact CH2-CG2 4.07Å; L118-V122 WeakPolarHBondContact O-CB 3.34Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.14Å; L118-V122 PolarHBondContact O-N 2.92Å; L119-V122 PolarHBondContact O-N 3.33Å; V122-L124 VanDerWaalsContact C-N 3.34Å; V122-A125 PolarHBondContact O-N 2.85Å; V122-Y126 WeakPolarHBondContact O-CB 3.39Å; V122-Y126 PolarHBondContact O-N 2.88Å |
| 123 | L | 70.1 | Confident | 64.5 | Low | 106 Ų | 106 | 83.2 Ų | 83.2 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 177.9 | -161.3 | 78 | 0 | 0 | 0 | 111.6 | L119 A120 A121 Y126 W127 | L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.45Å; A120-L123 PolarHBondContact O-N 3.3Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.42Å; L123-Y126 WeakPolarHBondContact O-CB 3.02Å; L123-Y126 PolarHBondContact O-N 3.49Å; L123-W127 WeakPolarHBondContact O-CB 3.29Å; L123-W127 PolarHBondContact O-N 3.48Å |
| 124 | L | 71.1 | Confident | 64.8 | Low | 89 Ų | 89 | 81.9 Ų | 81.9 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 176.2 | -172.4 | 66.4 | 0 | 0 | 0 | 110.9 | A120 A121 V122 Y126 W127 F128 | A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 PolarHBondContact O-N 2.88Å; A121-L124 PolarHBondContact O-N 3.44Å; V122-L124 VanDerWaalsContact C-N 3.34Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 3.37Å; L124-W127 WeakPolarHBondContact O-CB 3.4Å; L124-W127 PolarHBondContact O-N 2.93Å; L124-W127 VanDerWaalsContact O-N 3.15Å; L124-F128 HydrophobicContact CD1-CD2 4.08Å; L124-F128 HydrophobicContact CD1-CE2 3.64Å; L124-F128 HydrophobicContact CD2-CE2 4.11Å; L124-F128 HydrophobicContact CG-CD2 3.82Å; L124-F128 HydrophobicContact CG-CE2 3.61Å; L124-F128 VanDerWaalsContact O-CD2 3.22Å; L124-F128 WeakPolarHBondContact O-CD2 3.42Å; L124-F128 PolarHBondContact O-N 3.48Å |
| 125 | A | 65.8 | Low | 65.1 | Low | 37 Ų | 37 | 76.4 Ų | 76.4 | 31% | 0.306 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W85 A121 V122 W127 F128 L129 | W85-A125 HydrophobicContact CZ3-CB 4.43Å; A121-A125 WeakPolarHBondContact O-CB 3.26Å; A121-A125 PolarHBondContact O-N 3.41Å; V122-A125 PolarHBondContact O-N 2.85Å; A125-W127 PolarHBondContact O-N 3.13Å; A125-F128 PolarHBondContact O-N 2.89Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 PolarHBondContact O-N 3.36Å |
| 126 | Y | 63.4 | Low | 65.4 | Low | 138 Ų | 138 | 77 Ų | 77 | 54% | 0.541 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.1 | 172.8 | -99.3 | 0 | 0 | 0 | 112.1 | V122 L123 L124 L129 S130 | V122-Y126 WeakPolarHBondContact O-CB 3.39Å; V122-Y126 PolarHBondContact O-N 2.88Å; L123-Y126 WeakPolarHBondContact O-CB 3.02Å; L123-Y126 PolarHBondContact O-N 3.49Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 3.37Å; Y126-L129 PolarHBondContact O-N 2.79Å; Y126-S130 VanDerWaalsContact O-CB 3.32Å; Y126-S130 WeakPolarHBondContact O-CB 3.47Å; Y126-S130 PolarHBondContact O-N 3.33Å |
| 127 | W | 73.5 | Confident | 65.5 | Low | 161 Ų | 161 | 74 Ų | 74 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 177.9 | -117 | 70.4 | 0 | 0 | 0 | 112.3 | L123 L124 A125 S130 M131 | L123-W127 WeakPolarHBondContact O-CB 3.29Å; L123-W127 PolarHBondContact O-N 3.48Å; L124-W127 WeakPolarHBondContact O-CB 3.4Å; L124-W127 PolarHBondContact O-N 2.93Å; L124-W127 VanDerWaalsContact O-N 3.15Å; A125-W127 PolarHBondContact O-N 3.13Å; W127-S130 PolarHBondContact O-N 3.12Å; W127-M131 HydrophobicContact CE3-CE 4.31Å; W127-M131 HydrophobicContact CE3-CG 4.36Å; W127-M131 HydrophobicContact CZ3-CE 3.79Å; W127-M131 WeakPolarHBondContact O-CB 3.29Å; W127-M131 WeakPolarHBondContact O-CG 3.49Å; W127-M131 PolarHBondContact O-N 2.77Å |
| 128 | F | 63.7 | Low | 65.3 | Low | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.553 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 176.2 | -85.3 | -68.8 | 0 | 0 | 0 | 111.9 | L124 A125 S130 M131 F132 | L124-F128 HydrophobicContact CD1-CD2 4.08Å; L124-F128 HydrophobicContact CD1-CE2 3.64Å; L124-F128 HydrophobicContact CD2-CE2 4.11Å; L124-F128 HydrophobicContact CG-CD2 3.82Å; L124-F128 HydrophobicContact CG-CE2 3.61Å; L124-F128 VanDerWaalsContact O-CD2 3.22Å; L124-F128 WeakPolarHBondContact O-CD2 3.42Å; L124-F128 PolarHBondContact O-N 3.48Å; A125-F128 PolarHBondContact O-N 2.89Å; F128-S130 VanDerWaalsContact C-N 3.34Å; F128-S130 PolarHBondContact O-N 3.34Å; F128-M131 PolarHBondContact O-N 2.82Å; F128-F132 VanDerWaalsContact O-CB 3.29Å; F128-F132 WeakPolarHBondContact O-CB 3.27Å; F128-F132 PolarHBondContact O-N 3.35Å |
| 129 | L | 62.6 | Low | 65.1 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.3 | -171 | 70.6 | 0 | 0 | 0 | 111.4 | M78 A125 Y126 F132 L133 | M78-L129 HydrophobicContact CE-CD1 3.91Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 PolarHBondContact O-N 3.36Å; Y126-L129 PolarHBondContact O-N 2.79Å; L129-F132 PolarHBondContact O-N 3.14Å; L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CB 3.11Å; L129-L133 WeakPolarHBondContact O-CD1 3.41Å; L129-L133 PolarHBondContact O-N 3.15Å |
| 130 | S | 61 | Low | 64.6 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | Y126 W127 F128 G134 M187 | Y126-S130 VanDerWaalsContact O-CB 3.32Å; Y126-S130 WeakPolarHBondContact O-CB 3.47Å; Y126-S130 PolarHBondContact O-N 3.33Å; W127-S130 PolarHBondContact O-N 3.12Å; F128-S130 VanDerWaalsContact C-N 3.34Å; F128-S130 PolarHBondContact O-N 3.34Å; S130-G134 PolarHBondContact O-N 2.73Å; S130-M187 WeakPolarHBondContact OG-CE 3.49Å |
| 131 | M | 67.8 | Low | 64.2 | Low | 121 Ų | 121 | 78.6 Ų | 78.6 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 175.1 | -77.5 | -68.8 | -138.5 | 0 | 0 | 112.3 | W127 F128 G134 G135 | W127-M131 HydrophobicContact CE3-CE 4.31Å; W127-M131 HydrophobicContact CE3-CG 4.36Å; W127-M131 HydrophobicContact CZ3-CE 3.79Å; W127-M131 WeakPolarHBondContact O-CB 3.29Å; W127-M131 WeakPolarHBondContact O-CG 3.49Å; W127-M131 PolarHBondContact O-N 2.77Å; F128-M131 PolarHBondContact O-N 2.82Å; M131-G134 PolarHBondContact O-N 2.6Å; M131-G135 PolarHBondContact O-N 3.26Å |
| 132 | F | 66 | Low | 63.8 | Low | 71 Ų | 71 | 81.3 Ų | 81.3 | 31% | 0.311 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.1 | -49.1 | 178.2 | 179.7 | -102.2 | 0 | 0 | 0 | 111.6 | F77 F128 L129 G134 G135 V136 | F77-F132 HydrophobicContact CD1-CD1 4.15Å; F77-F132 HydrophobicContact CD1-CE1 4.08Å; F77-F132 HydrophobicContact CD1-CG 4.45Å; F77-F132 HydrophobicContact CD1-CZ 4.32Å; F77-F132 HydrophobicContact CD2-CE2 4.32Å; F77-F132 HydrophobicContact CE1-CB 4.12Å; F77-F132 AromaticContact CE1-CD1 3.69Å; F77-F132 HydrophobicContact CE1-CD1 3.69Å; F77-F132 HydrophobicContact CE1-CD2 4.09Å; F77-F132 HydrophobicContact CE1-CE1 4.09Å; F77-F132 HydrophobicContact CE1-CE2 4.44Å; F77-F132 AromaticContact CE1-CG 3.69Å; F77-F132 HydrophobicContact CE1-CG 3.69Å; F77-F132 HydrophobicContact CE1-CZ 4.44Å; F77-F132 AromaticContact CE2-CD2 3.97Å; F77-F132 HydrophobicContact CE2-CD2 3.97Å; F77-F132 HydrophobicContact CE2-CE2 4.18Å; F77-F132 HydrophobicContact CE2-CG 4.37Å; F77-F132 HydrophobicContact CG-CZ 4.38Å; F77-F132 HydrophobicContact CZ-CB 3.92Å; F77-F132 HydrophobicContact CZ-CD1 4.14Å; F77-F132 AromaticContact CZ-CD2 3.7Å; F77-F132 HydrophobicContact CZ-CD2 3.7Å; F77-F132 HydrophobicContact CZ-CE2 4.24Å; F77-F132 AromaticContact CZ-CG 3.65Å; F77-F132 HydrophobicContact CZ-CG 3.65Å; F128-F132 VanDerWaalsContact O-CB 3.29Å; F128-F132 WeakPolarHBondContact O-CB 3.27Å; F128-F132 PolarHBondContact O-N 3.35Å; L129-F132 PolarHBondContact O-N 3.14Å; F132-G134 VanDerWaalsContact C-N 3.34Å; F132-G134 PolarHBondContact O-N 2.92Å; F132-G135 PolarHBondContact O-N 3.36Å; F132-V136 HydrophobicContact CD1-CG2 4.46Å; F132-V136 HydrophobicContact CE1-CG2 4.1Å; F132-V136 HydrophobicContact CE2-CG2 4.19Å; F132-V136 HydrophobicContact CZ-CG2 3.96Å; F132-V136 WeakPolarHBondContact O-CG2 3.4Å; F132-V136 PolarHBondContact O-N 2.77Å |
| 133 | L | 64.3 | Low | 63.2 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 175 | -99.9 | 70.1 | 0 | 0 | 0 | 110.7 | L129 G135 V136 F137 F180 | L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CB 3.11Å; L129-L133 WeakPolarHBondContact O-CD1 3.41Å; L129-L133 PolarHBondContact O-N 3.15Å; L133-G135 VanDerWaalsContact C-N 3.34Å; L133-G135 PolarHBondContact O-N 2.86Å; L133-V136 PolarHBondContact O-N 3.21Å; L133-F137 HydrophobicContact CB-CD2 4.39Å; L133-F137 HydrophobicContact CB-CE2 4.35Å; L133-F137 HydrophobicContact CD2-CE2 4.42Å; L133-F137 HydrophobicContact CG-CE2 4.37Å; L133-F137 WeakPolarHBondContact O-CB 3.17Å; L133-F137 WeakPolarHBondContact O-CD2 3.19Å; L133-F137 PolarHBondContact O-N 3.43Å; L133-F180 HydrophobicContact CD1-CE2 4.39Å; L133-F180 HydrophobicContact CD2-CE2 4.15Å |
| 134 | G | 61.2 | Low | 62.5 | Low | 36 Ų | 36 | 82.1 Ų | 82.1 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S130 M131 F132 F137 Y138 | S130-G134 PolarHBondContact O-N 2.73Å; M131-G134 PolarHBondContact O-N 2.6Å; F132-G134 VanDerWaalsContact C-N 3.34Å; F132-G134 PolarHBondContact O-N 2.92Å; G134-F137 PolarHBondContact O-N 3.42Å; G134-Y138 VanDerWaalsContact O-CB 3.26Å; G134-Y138 WeakPolarHBondContact O-CB 3.43Å; G134-Y138 PolarHBondContact O-N 3.15Å |
| 135 | G | 60.9 | Low | 62 | Low | 39 Ų | 39 | 79.4 Ų | 79.4 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M131 F132 L133 Y138 L139 | M131-G135 PolarHBondContact O-N 3.26Å; F132-G135 PolarHBondContact O-N 3.36Å; L133-G135 VanDerWaalsContact C-N 3.34Å; L133-G135 PolarHBondContact O-N 2.86Å; G135-Y138 PolarHBondContact O-N 3.46Å; G135-L139 WeakPolarHBondContact O-CB 3.22Å; G135-L139 PolarHBondContact O-N 2.85Å |
| 136 | V | 63.8 | Low | 61.4 | Low | 40 Ų | 40 | 87.7 Ų | 87.7 | 24% | 0.242 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | F132 L133 Y138 L139 L140 | F132-V136 HydrophobicContact CD1-CG2 4.46Å; F132-V136 HydrophobicContact CE1-CG2 4.1Å; F132-V136 HydrophobicContact CE2-CG2 4.19Å; F132-V136 HydrophobicContact CZ-CG2 3.96Å; F132-V136 WeakPolarHBondContact O-CG2 3.4Å; F132-V136 PolarHBondContact O-N 2.77Å; L133-V136 PolarHBondContact O-N 3.21Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 2.84Å; V136-L139 PolarHBondContact O-N 3.42Å; V136-L140 HydrophobicContact CG1-CD1 3.87Å; V136-L140 WeakPolarHBondContact O-CB 3.06Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.91Å |
| 137 | F | 62.1 | Low | 60.9 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 176 | -78.5 | -61.3 | 0 | 0 | 0 | 112.6 | L133 G134 H141 F148 L155 | L133-F137 HydrophobicContact CB-CD2 4.39Å; L133-F137 HydrophobicContact CB-CE2 4.35Å; L133-F137 HydrophobicContact CD2-CE2 4.42Å; L133-F137 HydrophobicContact CG-CE2 4.37Å; L133-F137 WeakPolarHBondContact O-CB 3.17Å; L133-F137 WeakPolarHBondContact O-CD2 3.19Å; L133-F137 PolarHBondContact O-N 3.43Å; G134-F137 PolarHBondContact O-N 3.42Å; F137-H141 VanDerWaalsContact O-CB 3.25Å; F137-H141 WeakPolarHBondContact O-CB 3.28Å; F137-H141 PolarHBondContact O-N 2.8Å; F137-F148 HydrophobicContact CD1-CZ 4.22Å; F137-F148 WeakPolarHBondContact O-CE2 3.44Å; F137-L155 HydrophobicContact CE1-CD1 4.1Å |
| 138 | Y | 60.2 | Low | 60 | Low | 170 Ų | 170 | 78.5 Ų | 78.5 | 67% | 0.667 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.8 | -44.9 | 176 | 178.5 | -97.7 | 0 | 0 | 0 | 111.7 | G134 G135 V136 L140 H141 A142 | G134-Y138 VanDerWaalsContact O-CB 3.26Å; G134-Y138 WeakPolarHBondContact O-CB 3.43Å; G134-Y138 PolarHBondContact O-N 3.15Å; G135-Y138 PolarHBondContact O-N 3.46Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 2.84Å; Y138-L140 VanDerWaalsContact C-N 3.35Å; Y138-H141 CarbonylContact O-C 3.55Å; Y138-H141 WeakPolarHBondContact O-CB 3.31Å; Y138-H141 PolarHBondContact O-N 2.88Å; Y138-H141 VanDerWaalsContact O-N 3.15Å; Y138-A142 WeakPolarHBondContact O-CB 3.32Å; Y138-A142 PolarHBondContact O-N 2.92Å |
| 139 | L | 58.9 | Low | 59.8 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 58% | 0.581 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 176.6 | -169.9 | 71.2 | 0 | 0 | 0 | 110.7 | G135 V136 H141 A142 V143 | G135-L139 WeakPolarHBondContact O-CB 3.22Å; G135-L139 PolarHBondContact O-N 2.85Å; V136-L139 PolarHBondContact O-N 3.42Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.34Å; L139-A142 PolarHBondContact O-N 2.81Å; L139-V143 HydrophobicContact CG-CG2 4.5Å; L139-V143 WeakPolarHBondContact O-CB 3.16Å; L139-V143 WeakPolarHBondContact O-CG2 2.98Å; L139-V143 PolarHBondContact O-N 2.95Å |
| 140 | L | 59.9 | Low | 59.3 | Low | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 172.2 | -94.9 | 70.2 | 0 | 0 | 0 | 111.2 | V136 Y138 V143 F144 F148 L155 | V136-L140 HydrophobicContact CG1-CD1 3.87Å; V136-L140 WeakPolarHBondContact O-CB 3.06Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.91Å; Y138-L140 VanDerWaalsContact C-N 3.35Å; L140-V143 PolarHBondContact O-N 3.37Å; L140-F144 HydrophobicContact CB-CD2 4.36Å; L140-F144 HydrophobicContact CG-CD2 4.27Å; L140-F144 HydrophobicContact CG-CE2 4.27Å; L140-F144 VanDerWaalsContact O-CB 3.29Å; L140-F144 WeakPolarHBondContact O-CB 3.39Å; L140-F144 VanDerWaalsContact O-CD2 3.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.36Å; L140-F144 PolarHBondContact O-N 3.41Å; L140-F148 HydrophobicContact CB-CE2 4.36Å; L140-L155 HydrophobicContact CD2-CD1 3.69Å |
| 141 | H | 58.8 | Low | 59 | Low | 94 Ų | 94 | 80.8 Ų | 80.8 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.7 | -174.9 | -97.4 | 0 | 0 | 0 | 112.1 | F137 Y138 L139 G145 F148 | F137-H141 VanDerWaalsContact O-CB 3.25Å; F137-H141 WeakPolarHBondContact O-CB 3.28Å; F137-H141 PolarHBondContact O-N 2.8Å; Y138-H141 CarbonylContact O-C 3.55Å; Y138-H141 WeakPolarHBondContact O-CB 3.31Å; Y138-H141 PolarHBondContact O-N 2.88Å; Y138-H141 VanDerWaalsContact O-N 3.15Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.34Å; H141-G145 VanDerWaalsContact O-CA 3.28Å; H141-G145 WeakPolarHBondContact O-CA 3.48Å; H141-G145 PolarHBondContact O-N 2.81Å; H141-F148 HydrophobicContact CB-CD2 3.77Å; H141-F148 HydrophobicContact CB-CE2 3.73Å; H141-F148 HydrophobicContact CB-CG 4.48Å; H141-F148 HydrophobicContact CB-CZ 4.41Å; H141-F148 AromaticContact CD2-CD1 3.99Å; H141-F148 AromaticContact CD2-CD2 3.85Å; H141-F148 AromaticContact CD2-CG 3.67Å |
| 142 | A | 56.3 | Low | 58.4 | Low | 65 Ų | 65 | 78.3 Ų | 78.3 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y138 L139 | Y138-A142 WeakPolarHBondContact O-CB 3.32Å; Y138-A142 PolarHBondContact O-N 2.92Å; L139-A142 PolarHBondContact O-N 2.81Å |
| 143 | V | 55.4 | Low | 57.8 | Low | 104 Ų | 104 | 78.2 Ų | 78.2 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -77.6 | -39.9 | -179.5 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | L139 L140 | L139-V143 HydrophobicContact CG-CG2 4.5Å; L139-V143 WeakPolarHBondContact O-CB 3.16Å; L139-V143 WeakPolarHBondContact O-CG2 2.98Å; L139-V143 PolarHBondContact O-N 2.95Å; L140-V143 PolarHBondContact O-N 3.37Å |
| 144 | F | 56.2 | Low | 57.6 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -97.3 | -11.9 | -175.2 | -68.6 | -78.3 | 0 | 0 | 0 | 114.3 | L140 R146 F147 A151 | L140-F144 HydrophobicContact CB-CD2 4.36Å; L140-F144 HydrophobicContact CG-CD2 4.27Å; L140-F144 HydrophobicContact CG-CE2 4.27Å; L140-F144 VanDerWaalsContact O-CB 3.29Å; L140-F144 WeakPolarHBondContact O-CB 3.39Å; L140-F144 VanDerWaalsContact O-CD2 3.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.36Å; L140-F144 PolarHBondContact O-N 3.41Å; F144-R146 PolarHBondContact O-N 2.81Å; F144-F147 WeakPolarHBondContact O-CB 3.22Å; F144-F147 PolarHBondContact O-N 2.82Å; F144-A151 HydrophobicContact CD2-CB 4.37Å; F144-A151 HydrophobicContact CG-CB 4.45Å |
| 145 | G | 61.4 | Low | 57.5 | Low | 32 Ų | 32 | 79.4 Ų | 79.4 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | 49.5 | -124 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H141 F147 F148 | H141-G145 VanDerWaalsContact O-CA 3.28Å; H141-G145 WeakPolarHBondContact O-CA 3.48Å; H141-G145 PolarHBondContact O-N 2.81Å; G145-F147 PolarHBondContact O-N 3.32Å; G145-F147 VanDerWaalsContact O-N 3.11Å; G145-F148 WeakPolarHBondContact O-CB 3.29Å; G145-F148 PolarHBondContact O-N 3.48Å |
| 146 | R | 52.7 | Low | 57.2 | Low | 211 Ų | 211 | 84.6 Ų | 84.6 | 80% | 0.796 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -60.9 | -18.3 | -179.8 | -134.6 | 93.7 | 173.1 | 173.5 | -0.4 | 114.1 | F144 F148 W195 | F144-R146 PolarHBondContact O-N 2.81Å; R146-F148 VanDerWaalsContact C-N 3.33Å; R146-W195 HydrophobicContact CG-CH2 4.44Å |
| 147 | F | 52.5 | Low | 56.6 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 30% | 0.303 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -92.2 | 11.4 | -178.5 | -65.9 | -91.3 | 0 | 0 | 0 | 113.6 | F10 F144 G145 W149 L150 A151 | F10-F147 HydrophobicContact CD1-CE2 4.37Å; F10-F147 HydrophobicContact CD1-CZ 4.43Å; F10-F147 AromaticContact CE1-CD2 3.96Å; F10-F147 HydrophobicContact CE1-CD2 3.96Å; F10-F147 AromaticContact CE1-CE2 3.2Å; F10-F147 HydrophobicContact CE1-CE2 3.2Å; F10-F147 AromaticContact CE1-CZ 3.59Å; F10-F147 HydrophobicContact CE1-CZ 3.59Å; F10-F147 HydrophobicContact CE2-CD2 4.4Å; F10-F147 HydrophobicContact CE2-CE2 4.2Å; F10-F147 HydrophobicContact CE2-CZ 4.28Å; F10-F147 HydrophobicContact CZ-CD1 4.43Å; F10-F147 AromaticContact CZ-CD2 3.41Å; F10-F147 HydrophobicContact CZ-CD2 3.41Å; F10-F147 VanDerWaalsContact CZ-CD2 3.41Å; F10-F147 HydrophobicContact CZ-CE1 4.18Å; F10-F147 AromaticContact CZ-CE2 3.1Å; F10-F147 HydrophobicContact CZ-CE2 3.1Å; F10-F147 HydrophobicContact CZ-CG 4.08Å; F10-F147 AromaticContact CZ-CZ 3.51Å; F10-F147 HydrophobicContact CZ-CZ 3.51Å; F144-F147 WeakPolarHBondContact O-CB 3.22Å; F144-F147 PolarHBondContact O-N 2.82Å; G145-F147 PolarHBondContact O-N 3.32Å; G145-F147 VanDerWaalsContact O-N 3.11Å; F147-W149 PolarHBondContact O-N 2.81Å; F147-L150 PolarHBondContact O-N 3.17Å; F147-A151 PolarHBondContact O-N 3.37Å |
| 148 | F | 55.4 | Low | 56.2 | Low | 37 Ų | 37 | 84.4 Ų | 84.4 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -53.7 | -28.3 | 177.1 | -172.5 | -111.8 | 0 | 0 | 0 | 113.8 | F137 L140 H141 G145 R146 A151 R152 | F137-F148 HydrophobicContact CD1-CZ 4.22Å; F137-F148 WeakPolarHBondContact O-CE2 3.44Å; L140-F148 HydrophobicContact CB-CE2 4.36Å; H141-F148 HydrophobicContact CB-CD2 3.77Å; H141-F148 HydrophobicContact CB-CE2 3.73Å; H141-F148 HydrophobicContact CB-CG 4.48Å; H141-F148 HydrophobicContact CB-CZ 4.41Å; H141-F148 AromaticContact CD2-CD1 3.99Å; H141-F148 AromaticContact CD2-CD2 3.85Å; H141-F148 AromaticContact CD2-CG 3.67Å; G145-F148 WeakPolarHBondContact O-CB 3.29Å; G145-F148 PolarHBondContact O-N 3.48Å; R146-F148 VanDerWaalsContact C-N 3.33Å; F148-A151 PolarHBondContact O-N 3.4Å; F148-R152 HydrophobicContact CE1-CG 4.35Å; F148-R152 PolarHBondContact O-N 2.87Å |
| 149 | W | 58.3 | Low | 55.8 | Low | 172 Ų | 172 | 78.1 Ų | 78.1 | 65% | 0.652 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | 174.1 | -174.5 | 79.9 | 0 | 0 | 0 | 112.8 | F147 R152 V153 | F147-W149 PolarHBondContact O-N 2.81Å; W149-R152 WeakPolarHBondContact O-CB 3.37Å; W149-R152 PolarHBondContact O-N 2.89Å; W149-V153 HydrophobicContact CD2-CG2 4.35Å; W149-V153 HydrophobicContact CE3-CG2 4.45Å; W149-V153 HydrophobicContact CH2-CG2 4.27Å; W149-V153 HydrophobicContact CZ2-CG2 4.14Å; W149-V153 HydrophobicContact CZ3-CG2 4.42Å; W149-V153 WeakPolarHBondContact O-CG2 3.37Å; W149-V153 PolarHBondContact O-N 3.15Å; W149-V153 VanDerWaalsContact O-N 3.12Å |
| 150 | L | 53.3 | Low | 55.3 | Low | 90 Ų | 90 | 75.8 Ų | 75.8 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.4 | -40.7 | 179.1 | -161.5 | 74.7 | 0 | 0 | 0 | 111 | F147 R152 V153 I154 | F147-L150 PolarHBondContact O-N 3.17Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 2.87Å; L150-V153 PolarHBondContact O-N 2.91Å; L150-V153 VanDerWaalsContact O-N 3.13Å; L150-I154 HydrophobicContact CD2-CD1 4.46Å; L150-I154 HydrophobicContact CG-CD1 4.11Å; L150-I154 WeakPolarHBondContact O-CD1 3.34Å; L150-I154 WeakPolarHBondContact O-CG1 3.23Å; L150-I154 PolarHBondContact O-N 2.89Å |
| 151 | A | 53.1 | Low | 54.9 | Low | 11 Ų | 11 | 78.1 Ų | 78.1 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | F144 F147 F148 I154 L155 | F144-A151 HydrophobicContact CD2-CB 4.37Å; F144-A151 HydrophobicContact CG-CB 4.45Å; F147-A151 PolarHBondContact O-N 3.37Å; F148-A151 PolarHBondContact O-N 3.4Å; A151-I154 PolarHBondContact O-N 3.44Å; A151-L155 WeakPolarHBondContact O-CB 3.42Å; A151-L155 VanDerWaalsContact O-CG 3.29Å; A151-L155 WeakPolarHBondContact O-CG 3.32Å; A151-L155 PolarHBondContact O-N 2.81Å |
| 152 | R | 56.1 | Low | 54.6 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 171.5 | -85.3 | -171.4 | 178.5 | -170.7 | -0.3 | 112.9 | F148 W149 L150 I154 L155 F156 | F148-R152 HydrophobicContact CE1-CG 4.35Å; F148-R152 PolarHBondContact O-N 2.87Å; W149-R152 WeakPolarHBondContact O-CB 3.37Å; W149-R152 PolarHBondContact O-N 2.89Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 2.87Å; R152-I154 VanDerWaalsContact C-N 3.31Å; R152-I154 PolarHBondContact O-N 3.34Å; R152-L155 PolarHBondContact O-N 3.38Å; R152-F156 VanDerWaalsContact O-CB 3.29Å; R152-F156 WeakPolarHBondContact O-CB 3.43Å; R152-F156 PolarHBondContact O-N 3.5Å |
| 153 | V | 54.2 | Low | 54.2 | Low | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.418 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | W149 L150 F156 A157 | W149-V153 HydrophobicContact CD2-CG2 4.35Å; W149-V153 HydrophobicContact CE3-CG2 4.45Å; W149-V153 HydrophobicContact CH2-CG2 4.27Å; W149-V153 HydrophobicContact CZ2-CG2 4.14Å; W149-V153 HydrophobicContact CZ3-CG2 4.42Å; W149-V153 WeakPolarHBondContact O-CG2 3.37Å; W149-V153 PolarHBondContact O-N 3.15Å; W149-V153 VanDerWaalsContact O-N 3.12Å; L150-V153 PolarHBondContact O-N 2.91Å; L150-V153 VanDerWaalsContact O-N 3.13Å; V153-F156 PolarHBondContact O-N 3.43Å; V153-A157 WeakPolarHBondContact O-CB 3.44Å; V153-A157 PolarHBondContact O-N 2.97Å |
| 154 | I | 59.7 | Low | 54 | Low | 41 Ų | 41 | 77.9 Ų | 77.9 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.6 | -71 | 156.6 | 0 | 0 | 0 | 110.7 | F63 L150 A151 R152 F156 A157 L158 | F63-I154 HydrophobicContact CD1-CG2 3.57Å; F63-I154 HydrophobicContact CE1-CB 4.22Å; F63-I154 HydrophobicContact CE1-CD1 3.67Å; F63-I154 HydrophobicContact CE1-CG1 4.02Å; F63-I154 HydrophobicContact CE1-CG2 3.24Å; F63-I154 HydrophobicContact CE2-CD1 4.27Å; F63-I154 HydrophobicContact CZ-CD1 3.3Å; F63-I154 HydrophobicContact CZ-CG1 3.84Å; F63-I154 HydrophobicContact CZ-CG2 3.97Å; L150-I154 HydrophobicContact CD2-CD1 4.46Å; L150-I154 HydrophobicContact CG-CD1 4.11Å; L150-I154 WeakPolarHBondContact O-CD1 3.34Å; L150-I154 WeakPolarHBondContact O-CG1 3.23Å; L150-I154 PolarHBondContact O-N 2.89Å; A151-I154 PolarHBondContact O-N 3.44Å; R152-I154 VanDerWaalsContact C-N 3.31Å; R152-I154 PolarHBondContact O-N 3.34Å; I154-F156 VanDerWaalsContact C-N 3.27Å; I154-F156 PolarHBondContact O-N 3.45Å; I154-A157 PolarHBondContact O-N 2.88Å; I154-L158 HydrophobicContact CG2-CD1 3.77Å; I154-L158 HydrophobicContact CG2-CG 4.24Å; I154-L158 WeakPolarHBondContact O-CB 3.21Å; I154-L158 VanDerWaalsContact O-CG 3.23Å; I154-L158 WeakPolarHBondContact O-CG 3.04Å; I154-L158 PolarHBondContact O-N 2.85Å |
| 155 | L | 58.9 | Low | 53.7 | Low | 48 Ų | 48 | 80.5 Ų | 80.5 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.7 | -76.7 | 173.7 | 0 | 0 | 0 | 110.9 | F137 L140 A151 R152 L158 S159 | F137-L155 HydrophobicContact CE1-CD1 4.1Å; L140-L155 HydrophobicContact CD2-CD1 3.69Å; A151-L155 WeakPolarHBondContact O-CB 3.42Å; A151-L155 VanDerWaalsContact O-CG 3.29Å; A151-L155 WeakPolarHBondContact O-CG 3.32Å; A151-L155 PolarHBondContact O-N 2.81Å; R152-L155 PolarHBondContact O-N 3.38Å; L155-L158 PolarHBondContact O-N 2.53Å; L155-S159 WeakPolarHBondContact O-CB 3.46Å; L155-S159 PolarHBondContact O-N 2.69Å; L155-S159 PolarHBondContact O-OG 3.13Å |
| 156 | F | 54.7 | Low | 52.9 | Low | 149 Ų | 149 | 84.6 Ų | 84.6 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 175.5 | -172.5 | -98.6 | 0 | 0 | 0 | 112.5 | R152 V153 I154 S159 C160 | R152-F156 VanDerWaalsContact O-CB 3.29Å; R152-F156 WeakPolarHBondContact O-CB 3.43Å; R152-F156 PolarHBondContact O-N 3.5Å; V153-F156 PolarHBondContact O-N 3.43Å; I154-F156 VanDerWaalsContact C-N 3.27Å; I154-F156 PolarHBondContact O-N 3.45Å; F156-S159 PolarHBondContact O-N 3.41Å; F156-C160 WeakPolarHBondContact O-CB 3.45Å; F156-C160 PolarHBondContact O-N 3.43Å |
| 157 | A | 50.7 | Low | 52.5 | Low | 46 Ų | 46 | 77.4 Ų | 77.4 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V153 I154 C160 L161 | V153-A157 WeakPolarHBondContact O-CB 3.44Å; V153-A157 PolarHBondContact O-N 2.97Å; I154-A157 PolarHBondContact O-N 2.88Å; A157-C160 WeakPolarHBondContact O-CB 3.15Å; A157-C160 PolarHBondContact O-N 3.24Å; A157-L161 WeakPolarHBondContact O-CB 3.25Å; A157-L161 WeakPolarHBondContact O-CG 3.11Å; A157-L161 PolarHBondContact O-N 2.7Å |
| 158 | L | 53 | Low | 52.3 | Low | 38 Ų | 38 | 83 Ų | 83 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 176 | -70.5 | 175.6 | 0 | 0 | 0 | 112.1 | T67 I154 L155 C160 L161 Y162 | T67-L158 HydrophobicContact CG2-CD2 4.07Å; T67-L158 WeakPolarHBondContact OG1-CD1 3.42Å; T67-L158 WeakPolarHBondContact OG1-CD2 3.29Å; I154-L158 HydrophobicContact CG2-CD1 3.77Å; I154-L158 HydrophobicContact CG2-CG 4.24Å; I154-L158 WeakPolarHBondContact O-CB 3.21Å; I154-L158 VanDerWaalsContact O-CG 3.23Å; I154-L158 WeakPolarHBondContact O-CG 3.04Å; I154-L158 PolarHBondContact O-N 2.85Å; L155-L158 PolarHBondContact O-N 2.53Å; L158-C160 VanDerWaalsContact C-N 3.31Å; L158-C160 PolarHBondContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 2.92Å; L158-Y162 VanDerWaalsContact O-CB 3.22Å; L158-Y162 WeakPolarHBondContact O-CB 3.34Å; L158-Y162 PolarHBondContact O-N 3.32Å |
| 159 | S | 53.1 | Low | 51.7 | Low | 38 Ų | 38 | 84.1 Ų | 84.1 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 170.9 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | L155 F156 I163 | L155-S159 WeakPolarHBondContact O-CB 3.46Å; L155-S159 PolarHBondContact O-N 2.69Å; L155-S159 PolarHBondContact O-OG 3.13Å; F156-S159 PolarHBondContact O-N 3.41Å; S159-I163 VanDerWaalsContact O-CD1 3.3Å; S159-I163 WeakPolarHBondContact O-CD1 3.19Å; S159-I163 VanDerWaalsContact O-CG1 3.24Å; S159-I163 WeakPolarHBondContact O-CG1 3.17Å; S159-I163 PolarHBondContact O-N 2.91Å; S159-I163 VanDerWaalsContact O-N 3.11Å |
| 160 | C | 48.4 | Very low | 50.9 | Low | 63 Ų | 63 | 81.5 Ų | 81.5 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 177.2 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | F156 A157 L158 Y162 I163 L164 | F156-C160 WeakPolarHBondContact O-CB 3.45Å; F156-C160 PolarHBondContact O-N 3.43Å; A157-C160 WeakPolarHBondContact O-CB 3.15Å; A157-C160 PolarHBondContact O-N 3.24Å; L158-C160 VanDerWaalsContact C-N 3.31Å; L158-C160 PolarHBondContact O-N 3.12Å; C160-Y162 PolarHBondContact O-N 3.48Å; C160-I163 PolarHBondContact O-N 3.2Å; C160-L164 WeakPolarHBondContact O-CD1 3.37Å; C160-L164 PolarHBondContact O-N 3.48Å |
| 161 | L | 50.3 | Low | 50.6 | Low | 87 Ų | 87 | 82.2 Ų | 82.2 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 177.9 | -75.6 | 170.1 | 0 | 0 | 0 | 113 | A157 L158 I163 L164 Q165 | A157-L161 WeakPolarHBondContact O-CB 3.25Å; A157-L161 WeakPolarHBondContact O-CG 3.11Å; A157-L161 PolarHBondContact O-N 2.7Å; L158-L161 PolarHBondContact O-N 2.92Å; L161-I163 VanDerWaalsContact C-N 3.33Å; L161-L164 PolarHBondContact O-N 2.99Å; L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 PolarHBondContact O-N 2.87Å |
| 162 | Y | 52.1 | Low | 50.2 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 35% | 0.345 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -39 | 175.1 | 179.4 | -102.9 | 0 | 0 | 0 | 111.8 | V71 L158 C160 K166 | V71-Y162 HydrophobicContact CG1-CE2 4.08Å; V71-Y162 HydrophobicContact CG2-CD2 3.99Å; V71-Y162 HydrophobicContact CG2-CE2 3.93Å; L158-Y162 VanDerWaalsContact O-CB 3.22Å; L158-Y162 WeakPolarHBondContact O-CB 3.34Å; L158-Y162 PolarHBondContact O-N 3.32Å; C160-Y162 PolarHBondContact O-N 3.48Å; Y162-K166 HydrophobicContact CE1-CD 4.46Å; Y162-K166 HydrophobicContact CE2-CD 3.89Å; Y162-K166 VanDerWaalsContact O-CB 3.31Å; Y162-K166 WeakPolarHBondContact O-CB 3.44Å; Y162-K166 PolarHBondContact O-N 3.33Å; Y162-K166 WeakPolarHBondContact OH-CD 3.44Å; Y162-K166 PolarHBondContact OH-NZ 2.94Å |
| 163 | I | 48.5 | Very low | 49.7 | Very low | 48 Ų | 48 | 96 Ų | 96 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.6 | -69.7 | 161.9 | 0 | 0 | 0 | 110.8 | S159 C160 L161 Q165 F167 P177 I181 | S159-I163 VanDerWaalsContact O-CD1 3.3Å; S159-I163 WeakPolarHBondContact O-CD1 3.19Å; S159-I163 VanDerWaalsContact O-CG1 3.24Å; S159-I163 WeakPolarHBondContact O-CG1 3.17Å; S159-I163 PolarHBondContact O-N 2.91Å; S159-I163 VanDerWaalsContact O-N 3.11Å; C160-I163 PolarHBondContact O-N 3.2Å; L161-I163 VanDerWaalsContact C-N 3.33Å; I163-Q165 VanDerWaalsContact C-N 3.34Å; I163-Q165 PolarHBondContact O-N 3.29Å; I163-F167 HydrophobicContact CG2-CD2 4.25Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 WeakPolarHBondContact O-CD2 3.26Å; I163-F167 PolarHBondContact O-N 3.28Å; I163-P177 HydrophobicContact CD1-CB 4.18Å; I163-P177 HydrophobicContact CG1-CB 4.01Å; I163-I181 HydrophobicContact CD1-CD1 3.2Å; I163-I181 HydrophobicContact CD1-CG1 4.11Å |
| 164 | L | 50.8 | Low | 49.3 | Very low | 122 Ų | 122 | 94.4 Ų | 94.4 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | 176.8 | -92.9 | 121.9 | 0 | 0 | 0 | 113.2 | C160 L161 | C160-L164 WeakPolarHBondContact O-CD1 3.37Å; C160-L164 PolarHBondContact O-N 3.48Å; L161-L164 PolarHBondContact O-N 2.99Å |
| 165 | Q | 50.5 | Low | 48.5 | Very low | 161 Ų | 161 | 97.4 Ų | 97.4 | 75% | 0.752 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -83 | -26.1 | 179.9 | -80.5 | -174.5 | -26.7 | 0 | 0 | 114.4 | L161 I163 | L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 PolarHBondContact O-N 2.87Å; I163-Q165 VanDerWaalsContact C-N 3.34Å; I163-Q165 PolarHBondContact O-N 3.29Å |
| 166 | K | 45 | Very low | 48 | Very low | 119 Ų | 119 | 101.6 Ų | 101.6 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -104.2 | -10.7 | -173.2 | -160.6 | 151.5 | 179.1 | 176 | 0 | 114.5 | Y162 | Y162-K166 HydrophobicContact CE1-CD 4.46Å; Y162-K166 HydrophobicContact CE2-CD 3.89Å; Y162-K166 VanDerWaalsContact O-CB 3.31Å; Y162-K166 WeakPolarHBondContact O-CB 3.44Å; Y162-K166 PolarHBondContact O-N 3.33Å; Y162-K166 WeakPolarHBondContact OH-CD 3.44Å; Y162-K166 PolarHBondContact OH-NZ 2.94Å |
| 167 | F | 44.9 | Very low | 47.7 | Very low | 59 Ų | 59 | 95.5 Ų | 95.5 | 26% | 0.259 | 51% | 0.505 | S | S | . | . | trans | -116.9 | 34.9 | -177.1 | -70.6 | -80.6 | 0 | 0 | 0 | 115.1 | I163 R173 A174 P177 | I163-F167 HydrophobicContact CG2-CD2 4.25Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 WeakPolarHBondContact O-CD2 3.26Å; I163-F167 PolarHBondContact O-N 3.28Å; F167-R173 HydrophobicContact CE1-CB 3.82Å; F167-R173 WeakPolarHBondContact CE1-O 3.36Å; F167-R173 HydrophobicContact CZ-CB 4.46Å; F167-R173 WeakPolarHBondContact CZ-O 3.45Å; F167-A174 HydrophobicContact CD1-CB 4.08Å; F167-A174 HydrophobicContact CE1-CB 4.15Å; F167-P177 HydrophobicContact CD2-CG 4.3Å; F167-P177 HydrophobicContact CE1-CG 4.28Å; F167-P177 HydrophobicContact CE2-CB 4.21Å; F167-P177 HydrophobicContact CE2-CG 3.24Å; F167-P177 HydrophobicContact CZ-CG 3.22Å | ||
| 168 | E | 47.9 | Very low | 47.7 | Very low | 187 Ų | 187 | 98.5 Ų | 98.5 | 87% | 0.874 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -79.6 | -5.1 | 166.2 | -147 | 158.6 | -170.6 | 0 | 0 | 112.2 | ||
| 169 | G | 43.1 | Very low | 47.6 | Very low | 60 Ų | 60 | 100.3 Ų | 100.3 | 62% | 0.619 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -110.9 | -41.5 | -168 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 170 | D | 41.5 | Very low | 47.7 | Very low | 117 Ų | 117 | 102.8 Ų | 102.8 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | trans | -152.6 | 126.2 | -173.5 | -79.9 | -53.6 | 0 | 0 | 0 | 113.7 | E172 | D170-E172 PolarHBondContact O-N 2.79Š| ||
| 171 | P | 45.3 | Very low | 48 | Very low | 106 Ų | 106 | 103 Ų | 103 | 69% | 0.688 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -78 | -13.7 | -171.2 | 30.2 | -35 | 0 | 0 | 0 | 114.9 | A174 | P171-A174 WeakPolarHBondContact O-CB 3.34Š|
| 172 | E | 45.8 | Very low | 48 | Very low | 169 Ų | 169 | 104.3 Ų | 104.3 | 79% | 0.79 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -82.7 | -26.5 | -170.7 | -51.8 | -171.2 | -165.2 | 0 | 0 | 112.8 | D170 A174 | D170-E172 PolarHBondContact O-N 2.79Å; E172-A174 VanDerWaalsContact C-N 3.33Å |
| 173 | R | 44.6 | Very low | 48 | Very low | 201 Ų | 201 | 102.1 Ų | 102.1 | 76% | 0.758 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -85.3 | -4.6 | 176.3 | -66.7 | -166.1 | -177.8 | -150 | 2.7 | 113.4 | F167 V175 P177 | F167-R173 HydrophobicContact CE1-CB 3.82Å; F167-R173 WeakPolarHBondContact CE1-O 3.36Å; F167-R173 HydrophobicContact CZ-CB 4.46Å; F167-R173 WeakPolarHBondContact CZ-O 3.45Å; R173-V175 PolarHBondContact O-N 3.19Å; R173-P177 WeakPolarHBondContact O-CD 3.49Å |
| 174 | A | 46.6 | Very low | 48.5 | Very low | 36 Ų | 36 | 101.4 Ų | 101.4 | 30% | 0.298 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -70.8 | -14.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F167 P171 E172 P177 L178 | F167-A174 HydrophobicContact CD1-CB 4.08Å; F167-A174 HydrophobicContact CE1-CB 4.15Å; P171-A174 WeakPolarHBondContact O-CB 3.34Å; E172-A174 VanDerWaalsContact C-N 3.33Å; A174-P177 WeakPolarHBondContact O-CD 3.28Å; A174-L178 VanDerWaalsContact O-CB 3.28Å; A174-L178 WeakPolarHBondContact O-CB 3.28Å; A174-L178 PolarHBondContact O-N 2.77Å; A174-L178 VanDerWaalsContact O-N 3.09Å |
| 175 | V | 43.6 | Very low | 48.6 | Very low | 103 Ų | 103 | 103.4 Ų | 103.4 | 62% | 0.624 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -35.8 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | R173 L178 C179 | R173-V175 PolarHBondContact O-N 3.19Å; V175-L178 PolarHBondContact O-N 3.31Å; V175-C179 WeakPolarHBondContact O-CB 3.42Å; V175-C179 PolarHBondContact O-N 2.86Å |
| 176 | L | 47.2 | Very low | 48.5 | Very low | 136 Ų | 136 | 103.8 Ų | 103.8 | 71% | 0.712 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.4 | -46 | 178.4 | -94.7 | 155.7 | 0 | 0 | 0 | 113.3 | L178 C179 F180 | L176-L178 VanDerWaalsContact C-N 3.32Å; L176-C179 PolarHBondContact O-N 2.76Å; L176-F180 WeakPolarHBondContact O-CB 3.2Å; L176-F180 PolarHBondContact O-N 2.81Å |
| 177 | P | 48.9 | Very low | 48.6 | Very low | 21 Ų | 21 | 103 Ų | 103 | 14% | 0.136 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 169.9 | -11.6 | 16 | 0 | 0 | 0 | 112.7 | I163 F167 R173 A174 F180 I181 | I163-P177 HydrophobicContact CD1-CB 4.18Å; I163-P177 HydrophobicContact CG1-CB 4.01Å; F167-P177 HydrophobicContact CD2-CG 4.3Å; F167-P177 HydrophobicContact CE1-CG 4.28Å; F167-P177 HydrophobicContact CE2-CB 4.21Å; F167-P177 HydrophobicContact CE2-CG 3.24Å; F167-P177 HydrophobicContact CZ-CG 3.22Å; R173-P177 WeakPolarHBondContact O-CD 3.49Å; A174-P177 WeakPolarHBondContact O-CD 3.28Å; P177-F180 PolarHBondContact O-N 3.11Å; P177-I181 WeakPolarHBondContact O-CB 3.2Å; P177-I181 VanDerWaalsContact O-CG1 3.24Å; P177-I181 WeakPolarHBondContact O-CG1 3.41Å; P177-I181 PolarHBondContact O-N 3.41Å |
| 178 | L | 49.7 | Very low | 48.6 | Very low | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -37.6 | 176.7 | -160.8 | 123.8 | 0 | 0 | 0 | 111.2 | A174 V175 L176 I181 M182 | A174-L178 VanDerWaalsContact O-CB 3.28Å; A174-L178 WeakPolarHBondContact O-CB 3.28Å; A174-L178 PolarHBondContact O-N 2.77Å; A174-L178 VanDerWaalsContact O-N 3.09Å; V175-L178 PolarHBondContact O-N 3.31Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L178-I181 PolarHBondContact O-N 3.48Å; L178-M182 VanDerWaalsContact O-CB 3.24Å; L178-M182 WeakPolarHBondContact O-CB 3.49Å; L178-M182 PolarHBondContact O-N 3.47Å |
| 179 | C | 51.8 | Low | 48.3 | Very low | 75 Ų | 75 | 94.3 Ų | 94.3 | 51% | 0.507 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 171.1 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | V175 L176 M182 A183 | V175-C179 WeakPolarHBondContact O-CB 3.42Å; V175-C179 PolarHBondContact O-N 2.86Å; L176-C179 PolarHBondContact O-N 2.76Å; C179-M182 PolarHBondContact O-N 2.94Å; C179-A183 WeakPolarHBondContact O-CB 3.47Å; C179-A183 PolarHBondContact O-N 2.98Å |
| 180 | F | 55.6 | Low | 48.3 | Very low | 91 Ų | 91 | 96.2 Ų | 96.2 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 174.1 | -171.9 | -98.7 | 0 | 0 | 0 | 111.8 | L133 L176 P177 M182 A183 V184 | L133-F180 HydrophobicContact CD1-CE2 4.39Å; L133-F180 HydrophobicContact CD2-CE2 4.15Å; L176-F180 WeakPolarHBondContact O-CB 3.2Å; L176-F180 PolarHBondContact O-N 2.81Å; P177-F180 PolarHBondContact O-N 3.11Å; F180-M182 VanDerWaalsContact C-N 3.33Å; F180-A183 PolarHBondContact O-N 3.45Å; F180-V184 HydrophobicContact CD1-CG2 4.02Å; F180-V184 HydrophobicContact CE1-CG2 3.76Å; F180-V184 HydrophobicContact CE2-CG2 4.46Å; F180-V184 HydrophobicContact CG-CG2 4.48Å; F180-V184 HydrophobicContact CZ-CG2 4.01Å; F180-V184 WeakPolarHBondContact O-CB 3.24Å; F180-V184 WeakPolarHBondContact O-CG2 3.3Å; F180-V184 PolarHBondContact O-N 2.85Å |
| 181 | I | 55.3 | Low | 48.5 | Very low | 68 Ų | 68 | 93.3 Ų | 93.3 | 35% | 0.349 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 171.2 | -71.7 | 162.6 | 0 | 0 | 0 | 110.1 | I163 P177 L178 V184 Y185 | I163-I181 HydrophobicContact CD1-CD1 3.2Å; I163-I181 HydrophobicContact CD1-CG1 4.11Å; P177-I181 WeakPolarHBondContact O-CB 3.2Å; P177-I181 VanDerWaalsContact O-CG1 3.24Å; P177-I181 WeakPolarHBondContact O-CG1 3.41Å; P177-I181 PolarHBondContact O-N 3.41Å; L178-I181 PolarHBondContact O-N 3.48Å; I181-V184 PolarHBondContact O-N 2.82Å; I181-Y185 WeakPolarHBondContact O-CA 3.43Å; I181-Y185 WeakPolarHBondContact O-CB 3.5Å; I181-Y185 PolarHBondContact O-N 3.44Å |
| 182 | M | 50.5 | Low | 48.2 | Very low | 114 Ų | 114 | 90.7 Ų | 90.7 | 56% | 0.562 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | -179.6 | -160 | 137 | 76.2 | 0 | 0 | 111.4 | L178 C179 F180 Y185 F186 | L178-M182 VanDerWaalsContact O-CB 3.24Å; L178-M182 WeakPolarHBondContact O-CB 3.49Å; L178-M182 PolarHBondContact O-N 3.47Å; C179-M182 PolarHBondContact O-N 2.94Å; F180-M182 VanDerWaalsContact C-N 3.33Å; M182-Y185 CarbonylContact O-C 3.59Å; M182-Y185 PolarHBondContact O-N 3.41Å; M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.22Å; M182-F186 PolarHBondContact O-N 3.4Å |
| 183 | A | 51.7 | Low | 47.7 | Very low | 42 Ų | 42 | 85.6 Ų | 85.6 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C179 F180 Y185 F186 M187 | C179-A183 WeakPolarHBondContact O-CB 3.47Å; C179-A183 PolarHBondContact O-N 2.98Å; F180-A183 PolarHBondContact O-N 3.45Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; A183-F186 PolarHBondContact O-N 3.27Å; A183-M187 WeakPolarHBondContact O-CB 3.17Å; A183-M187 WeakPolarHBondContact O-CG 3.18Å; A183-M187 PolarHBondContact O-N 2.89Å |
| 184 | V | 57.7 | Low | 47.5 | Very low | 33 Ų | 33 | 84.6 Ų | 84.6 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 170.6 | 170 | 0 | 0 | 0 | 0 | 109.5 | F180 I181 T188 | F180-V184 HydrophobicContact CD1-CG2 4.02Å; F180-V184 HydrophobicContact CE1-CG2 3.76Å; F180-V184 HydrophobicContact CE2-CG2 4.46Å; F180-V184 HydrophobicContact CG-CG2 4.48Å; F180-V184 HydrophobicContact CZ-CG2 4.01Å; F180-V184 WeakPolarHBondContact O-CB 3.24Å; F180-V184 WeakPolarHBondContact O-CG2 3.3Å; F180-V184 PolarHBondContact O-N 2.85Å; I181-V184 PolarHBondContact O-N 2.82Å; V184-T188 HydrophobicContact CG1-CG2 4.23Å; V184-T188 WeakPolarHBondContact O-CA 3.46Å; V184-T188 WeakPolarHBondContact O-CB 3.35Å; V184-T188 VanDerWaalsContact O-CG2 3.25Å; V184-T188 WeakPolarHBondContact O-CG2 3.37Å; V184-T188 PolarHBondContact O-N 3.44Å; V184-T188 PolarHBondContact O-OG1 3.41Å |
| 185 | Y | 54.6 | Low | 47 | Very low | 163 Ų | 163 | 90.9 Ų | 90.9 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -35.9 | 176.2 | -180 | -97.1 | 0 | 0 | 0 | 112.7 | I181 M182 A183 T188 G189 | I181-Y185 WeakPolarHBondContact O-CA 3.43Å; I181-Y185 WeakPolarHBondContact O-CB 3.5Å; I181-Y185 PolarHBondContact O-N 3.44Å; M182-Y185 CarbonylContact O-C 3.59Å; M182-Y185 PolarHBondContact O-N 3.41Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; Y185-T188 WeakPolarHBondContact CA-OG1 3.24Å; Y185-T188 CarbonylContact O-C 3.58Å; Y185-G189 WeakPolarHBondContact O-CA 3.44Å; Y185-G189 PolarHBondContact O-N 2.94Å |
| 186 | F | 47.7 | Very low | 46.7 | Very low | 170 Ų | 170 | 97.3 Ų | 97.3 | 75% | 0.746 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.4 | -43.6 | 176.3 | -127.1 | -92.1 | 0 | 0 | 0 | 111.8 | M182 A183 T188 G189 | M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.22Å; M182-F186 PolarHBondContact O-N 3.4Å; A183-F186 PolarHBondContact O-N 3.27Å; F186-T188 VanDerWaalsContact C-N 3.3Å; F186-G189 WeakPolarHBondContact O-CA 3.49Å; F186-G189 PolarHBondContact O-N 2.85Å |
| 187 | M | 46.4 | Very low | 46.1 | Very low | 103 Ų | 103 | 99.2 Ų | 99.2 | 51% | 0.507 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.3 | -26.4 | 175.1 | -67.4 | -71.6 | -103.8 | 0 | 0 | 111.8 | S130 A183 G189 | S130-M187 WeakPolarHBondContact OG-CE 3.49Å; A183-M187 WeakPolarHBondContact O-CB 3.17Å; A183-M187 WeakPolarHBondContact O-CG 3.18Å; A183-M187 PolarHBondContact O-N 2.89Å; M187-G189 VanDerWaalsContact C-N 3.3Å |
| 188 | T | 46.1 | Very low | 45.4 | Very low | 36 Ų | 36 | 100.6 Ų | 100.6 | 22% | 0.221 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 27.8 | 164.3 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | V184 Y185 F186 | V184-T188 HydrophobicContact CG1-CG2 4.23Å; V184-T188 WeakPolarHBondContact O-CA 3.46Å; V184-T188 WeakPolarHBondContact O-CB 3.35Å; V184-T188 VanDerWaalsContact O-CG2 3.25Å; V184-T188 WeakPolarHBondContact O-CG2 3.37Å; V184-T188 PolarHBondContact O-N 3.44Å; V184-T188 PolarHBondContact O-OG1 3.41Å; Y185-T188 WeakPolarHBondContact CA-OG1 3.24Å; Y185-T188 CarbonylContact O-C 3.58Å; F186-T188 VanDerWaalsContact C-N 3.3Å |
| 189 | G | 41.2 | Very low | 44.9 | Very low | 26 Ų | 26 | 100 Ų | 100 | 27% | 0.268 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 151.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y185 F186 M187 V191 | Y185-G189 WeakPolarHBondContact O-CA 3.44Å; Y185-G189 PolarHBondContact O-N 2.94Å; F186-G189 WeakPolarHBondContact O-CA 3.49Å; F186-G189 PolarHBondContact O-N 2.85Å; M187-G189 VanDerWaalsContact C-N 3.3Å; G189-V191 VanDerWaalsContact C-N 3.27Å; G189-V191 WeakPolarHBondContact O-CG2 3.4Å; G189-V191 PolarHBondContact O-N 2.77Å |
| 190 | P | 42.8 | Very low | 44.3 | Very low | 100 Ų | 100 | 98 Ų | 98 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 81.1 | -151.6 | 20.9 | -34 | 0 | 0 | 0 | 114.3 | G192 A193 | P190-G192 PolarHBondContact O-N 3.36Å; P190-A193 PolarHBondContact O-N 3.41Å; P190-A193 VanDerWaalsContact O-N 3.14Å |
| 191 | V | 45.4 | Very low | 43.7 | Very low | 56 Ų | 56 | 97.5 Ų | 97.5 | 34% | 0.339 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.6 | -10.3 | 166.2 | -161.3 | 0 | 0 | 0 | 0 | 108.8 | G189 A193 Y194 W195 | G189-V191 VanDerWaalsContact C-N 3.27Å; G189-V191 WeakPolarHBondContact O-CG2 3.4Å; G189-V191 PolarHBondContact O-N 2.77Å; V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.48Å; V191-Y194 PolarHBondContact O-N 2.76Å; V191-W195 WeakPolarHBondContact O-CB 3.48Å; V191-W195 PolarHBondContact O-N 3.46Å |
| 192 | G | 38.9 | Very low | 43.2 | Very low | 52 Ų | 52 | 95.4 Ų | 95.4 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -25.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P190 R196 | P190-G192 PolarHBondContact O-N 3.36Å; G192-R196 WeakPolarHBondContact O-CB 3.16Å; G192-R196 PolarHBondContact O-N 2.71Å; G192-R196 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 35.2 | Very low | 43.4 | Very low | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -80.7 | -26.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P190 V191 R197 | P190-A193 PolarHBondContact O-N 3.41Å; P190-A193 VanDerWaalsContact O-N 3.14Å; V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.48Å; A193-R197 WeakPolarHBondContact O-CB 3.07Å; A193-R197 PolarHBondContact O-N 3.49Å |
| 194 | Y | 40 | Very low | 43.4 | Very low | 180 Ų | 180 | 97 Ų | 97 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -88.3 | -22.6 | 176.8 | -72.5 | -82.5 | 0 | 0 | 0 | 113.5 | V191 | V191-Y194 PolarHBondContact O-N 2.76Å |
| 195 | W | 37.1 | Very low | 43.5 | Very low | 169 Ų | 169 | 101.6 Ų | 101.6 | 64% | 0.64 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -98 | -27 | 178.6 | -126.9 | 62.1 | 0 | 0 | 0 | 113.3 | R146 V191 | R146-W195 HydrophobicContact CG-CH2 4.44Å; V191-W195 WeakPolarHBondContact O-CB 3.48Å; V191-W195 PolarHBondContact O-N 3.46Å |
| 196 | R | 37.9 | Very low | 43.7 | Very low | 238 Ų | 238 | 100.2 Ų | 100.2 | 90% | 0.898 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -85.7 | 4.3 | 165.9 | -143.3 | -166.9 | -122.8 | -87.4 | 4.7 | 112.9 | G192 | G192-R196 WeakPolarHBondContact O-CB 3.16Å; G192-R196 PolarHBondContact O-N 2.71Å; G192-R196 VanDerWaalsContact O-N 3.14Å |
| 197 | R | 33.8 | Very low | 44.4 | Very low | 176 Ų | 176 | 98.4 Ų | 98.4 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -106.5 | 72.5 | 157 | -164.2 | 171.8 | -164.2 | 173.1 | 2.4 | 105 | A193 | A193-R197 WeakPolarHBondContact O-CB 3.07Å; A193-R197 PolarHBondContact O-N 3.49Å |
| 198 | G | 35 | Very low | 45.6 | Very low | 50 Ų | 50 | 98.6 Ų | 98.6 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | 55 | 108.1 | 79.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G200 | G198-G200 PolarHBondContact O-N 2.73Š| |||
| 199 | G | 38 | Very low | 46.7 | Very low | 96 Ų | 96 | 101.3 Ų | 101.3 | 99% | 0.99 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -31.2 | 102.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 200 | G | 40.2 | Very low | 48.4 | Very low | 34 Ų | 34 | 105.6 Ų | 105.6 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | trans | -140.2 | 19.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | G198 G202 T203 | G198-G200 PolarHBondContact O-N 2.73Å; G200-G202 PolarHBondContact O-N 2.77Å; G200-T203 WeakPolarHBondContact O-CG2 3.31Å | ||
| 201 | A | 41.4 | Very low | 50 | Low | 81 Ų | 81 | 105.7 Ų | 105.7 | 67% | 0.669 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -64.2 | -9.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E205 | A201-E205 WeakPolarHBondContact O-CB 3.22Š|
| 202 | G | 44.7 | Very low | 51.5 | Low | 24 Ų | 24 | 107.9 Ų | 107.9 | 25% | 0.247 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -73.7 | -36.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G200 L204 E206 | G200-G202 PolarHBondContact O-N 2.77Å; G202-L204 PolarHBondContact O-N 3.31Å; G202-E206 VanDerWaalsContact C-OE2 3.29Å; G202-E206 WeakPolarHBondContact O-CA 3.12Å; G202-E206 WeakPolarHBondContact O-CB 3.28Å; G202-E206 WeakPolarHBondContact O-CG 3.41Å; G202-E206 PolarHBondContact O-N 2.85Å; G202-E206 VanDerWaalsContact O-OE2 3.13Å |
| 203 | T | 56.4 | Low | 53.4 | Low | 56 Ų | 56 | 109 Ų | 109 | 34% | 0.344 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74 | -24.5 | -168.3 | 166.7 | 0 | 0 | 0 | 0 | 115.4 | G200 K207 | G200-T203 WeakPolarHBondContact O-CG2 3.31Å; T203-K207 WeakPolarHBondContact O-CB 3.38Å; T203-K207 VanDerWaalsContact O-CD 3.32Å; T203-K207 WeakPolarHBondContact O-CD 3.3Å; T203-K207 WeakPolarHBondContact O-CG 3.35Å; T203-K207 PolarHBondContact O-N 2.83Å |
| 204 | L | 50.7 | Low | 55.6 | Low | 132 Ų | 132 | 110.9 Ų | 110.9 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -90.9 | -38.4 | 174.9 | -94.5 | 113 | 0 | 0 | 0 | 111.4 | G202 K207 I208 | G202-L204 PolarHBondContact O-N 3.31Å; L204-K207 PolarHBondContact O-N 2.91Å; L204-I208 WeakPolarHBondContact O-CB 3.48Å; L204-I208 PolarHBondContact O-N 3.38Å |
| 205 | E | 60.6 | Low | 57.2 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -44.7 | 177.6 | -155 | 160.7 | -176.6 | 0 | 0 | 110.9 | A201 K207 I208 D209 | A201-E205 WeakPolarHBondContact O-CB 3.22Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.84Å; E205-I208 CarbonylContact O-C 3.59Å; E205-I208 WeakPolarHBondContact O-CB 3.34Å; E205-I208 PolarHBondContact O-N 2.97Å; E205-I208 VanDerWaalsContact O-N 3.17Å; E205-D209 PolarHBondContact O-N 3.48Å |
| 206 | E | 57.9 | Low | 59.3 | Low | 134 Ų | 134 | 108.4 Ų | 108.4 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.6 | -31.5 | 170.9 | -65.1 | 166.3 | 149.2 | 0 | 0 | 112.1 | G202 H210 | G202-E206 VanDerWaalsContact C-OE2 3.29Å; G202-E206 WeakPolarHBondContact O-CA 3.12Å; G202-E206 WeakPolarHBondContact O-CB 3.28Å; G202-E206 WeakPolarHBondContact O-CG 3.41Å; G202-E206 PolarHBondContact O-N 2.85Å; G202-E206 VanDerWaalsContact O-OE2 3.13Å; E206-H210 WeakPolarHBondContact O-CB 3.16Å; E206-H210 PolarHBondContact O-N 2.9Å |
| 207 | K | 63.3 | Low | 61.3 | Low | 133 Ų | 133 | 101.5 Ų | 101.5 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.4 | -35.4 | 172.7 | -83.6 | -176.3 | -178.7 | -154.7 | 0 | 111.6 | T203 L204 E205 L211 | T203-K207 WeakPolarHBondContact O-CB 3.38Å; T203-K207 VanDerWaalsContact O-CD 3.32Å; T203-K207 WeakPolarHBondContact O-CD 3.3Å; T203-K207 WeakPolarHBondContact O-CG 3.35Å; T203-K207 PolarHBondContact O-N 2.83Å; L204-K207 PolarHBondContact O-N 2.91Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.84Å; K207-L211 VanDerWaalsContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 VanDerWaalsContact O-CD1 3.29Å; K207-L211 WeakPolarHBondContact O-CD1 3.31Å; K207-L211 WeakPolarHBondContact O-CG 3.45Å; K207-L211 PolarHBondContact O-N 3.28Å |
| 208 | I | 71 | Confident | 63.4 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -49.7 | 172.4 | -90.9 | 169.1 | 0 | 0 | 0 | 110.2 | L204 E205 H210 L211 D212 | L204-I208 WeakPolarHBondContact O-CB 3.48Å; L204-I208 PolarHBondContact O-N 3.38Å; E205-I208 CarbonylContact O-C 3.59Å; E205-I208 WeakPolarHBondContact O-CB 3.34Å; E205-I208 PolarHBondContact O-N 2.97Å; E205-I208 VanDerWaalsContact O-N 3.17Å; I208-H210 VanDerWaalsContact C-N 3.29Å; I208-H210 PolarHBondContact O-N 3.21Å; I208-L211 PolarHBondContact O-N 3.3Å; I208-D212 WeakPolarHBondContact O-CB 3.41Å; I208-D212 PolarHBondContact O-N 3.48Å |
| 209 | D | 69.6 | Low | 65.5 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -36 | 178.8 | -77.2 | -17.9 | 0 | 0 | 0 | 111.4 | E205 D212 T213 | E205-D209 PolarHBondContact O-N 3.48Å; D209-D212 PolarHBondContact O-N 3.25Å; D209-T213 VanDerWaalsContact O-CB 3.26Å; D209-T213 WeakPolarHBondContact O-CB 3.43Å; D209-T213 PolarHBondContact O-N 3.26Å; D209-T213 PolarHBondContact O-OG1 3.23Å |
| 210 | H | 75.4 | Confident | 67.7 | Low | 116 Ų | 116 | 99.9 Ų | 99.9 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 175.4 | -170.4 | 48.1 | 0 | 0 | 0 | 112.2 | E206 I208 Q214 | E206-H210 WeakPolarHBondContact O-CB 3.16Å; E206-H210 PolarHBondContact O-N 2.9Å; I208-H210 VanDerWaalsContact C-N 3.29Å; I208-H210 PolarHBondContact O-N 3.21Å; H210-Q214 PolarHBondContact CD2-NE2 3.28Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.28Å; H210-Q214 PolarHBondContact CE1-NE2 3.02Å; H210-Q214 PolarHBondContact NE2-NE2 3.4Å; H210-Q214 WeakPolarHBondContact O-CB 3.36Å; H210-Q214 VanDerWaalsContact O-CG 3.29Å; H210-Q214 WeakPolarHBondContact O-CG 3.35Å; H210-Q214 PolarHBondContact O-N 3.46Å |
| 211 | L | 76.4 | Confident | 69.5 | Low | 102 Ų | 102 | 106.7 Ų | 106.7 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 172.8 | -80.2 | 158.9 | 0 | 0 | 0 | 111.2 | K207 I208 Q214 I215 | K207-L211 VanDerWaalsContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 VanDerWaalsContact O-CD1 3.29Å; K207-L211 WeakPolarHBondContact O-CD1 3.31Å; K207-L211 WeakPolarHBondContact O-CG 3.45Å; K207-L211 PolarHBondContact O-N 3.28Å; I208-L211 PolarHBondContact O-N 3.3Å; L211-Q214 PolarHBondContact O-N 3.36Å; L211-I215 VanDerWaalsContact O-CG1 3.28Å; L211-I215 WeakPolarHBondContact O-CG1 3.49Å; L211-I215 PolarHBondContact O-N 3.39Å |
| 212 | D | 77.9 | Confident | 71.3 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 179 | -166.8 | 54.7 | 0 | 0 | 0 | 111.7 | I208 D209 Q214 I215 R216 | I208-D212 WeakPolarHBondContact O-CB 3.41Å; I208-D212 PolarHBondContact O-N 3.48Å; D209-D212 PolarHBondContact O-N 3.25Å; D212-Q214 VanDerWaalsContact C-N 3.35Å; D212-Q214 PolarHBondContact O-N 2.97Å; D212-I215 PolarHBondContact O-N 2.79Å; D212-R216 PolarHBondContact O-N 3.37Å |
| 213 | T | 79 | Confident | 72.9 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 174.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | D209 R216 L217 | D209-T213 VanDerWaalsContact O-CB 3.26Å; D209-T213 WeakPolarHBondContact O-CB 3.43Å; D209-T213 PolarHBondContact O-N 3.26Å; D209-T213 PolarHBondContact O-OG1 3.23Å; T213-R216 PolarHBondContact O-N 3.06Å; T213-L217 HydrophobicContact CG2-CD1 4.28Å; T213-L217 WeakPolarHBondContact O-CG 3.27Å; T213-L217 PolarHBondContact O-N 2.92Å |
| 214 | Q | 81.6 | Confident | 73.8 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 48% | 0.477 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 176 | -79.1 | -173 | 58.8 | 0 | 0 | 112.4 | H210 L211 D212 R216 L217 L218 | H210-Q214 PolarHBondContact CD2-NE2 3.28Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.28Å; H210-Q214 PolarHBondContact CE1-NE2 3.02Å; H210-Q214 PolarHBondContact NE2-NE2 3.4Å; H210-Q214 WeakPolarHBondContact O-CB 3.36Å; H210-Q214 VanDerWaalsContact O-CG 3.29Å; H210-Q214 WeakPolarHBondContact O-CG 3.35Å; H210-Q214 PolarHBondContact O-N 3.46Å; L211-Q214 PolarHBondContact O-N 3.36Å; D212-Q214 VanDerWaalsContact C-N 3.35Å; D212-Q214 PolarHBondContact O-N 2.97Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 2.82Å; Q214-L217 PolarHBondContact O-N 3.47Å; Q214-L218 WeakPolarHBondContact O-CB 3.18Å; Q214-L218 PolarHBondContact O-N 3.43Å |
| 215 | I | 72.9 | Confident | 75.3 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 57% | 0.569 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 176 | -69.9 | 164.7 | 0 | 0 | 0 | 110.4 | L211 D212 L217 L218 N219 | L211-I215 VanDerWaalsContact O-CG1 3.28Å; L211-I215 WeakPolarHBondContact O-CG1 3.49Å; L211-I215 PolarHBondContact O-N 3.39Å; D212-I215 PolarHBondContact O-N 2.79Å; I215-L217 PolarHBondContact O-N 2.81Å; I215-L218 PolarHBondContact O-N 2.94Å; I215-N219 WeakPolarHBondContact O-CB 3.28Å; I215-N219 PolarHBondContact O-N 3.46Å |
| 216 | R | 81.6 | Confident | 76.3 | Confident | 185 Ų | 185 | 110 Ų | 110 | 70% | 0.698 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 177.4 | -169.4 | 174.8 | 179.8 | 171.7 | 0.4 | 112.4 | D212 T213 Q214 N219 I220 | D212-R216 PolarHBondContact O-N 3.37Å; T213-R216 PolarHBondContact O-N 3.06Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 2.82Å; R216-N219 PolarHBondContact O-N 3.37Å; R216-I220 HydrophobicContact CG-CD1 4.41Å; R216-I220 WeakPolarHBondContact O-CG1 3.2Å; R216-I220 PolarHBondContact O-N 2.99Å; R216-I220 VanDerWaalsContact O-N 3.15Å |
| 217 | L | 79.5 | Confident | 77.2 | Confident | 93 Ų | 93 | 107.5 Ų | 107.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 176.8 | -73.3 | 172 | 0 | 0 | 0 | 112.5 | T213 Q214 I215 R221 | T213-L217 HydrophobicContact CG2-CD1 4.28Å; T213-L217 WeakPolarHBondContact O-CG 3.27Å; T213-L217 PolarHBondContact O-N 2.92Å; Q214-L217 PolarHBondContact O-N 3.47Å; I215-L217 PolarHBondContact O-N 2.81Å; L217-R221 WeakPolarHBondContact O-CB 3.28Å; L217-R221 WeakPolarHBondContact O-CG 3.44Å; L217-R221 PolarHBondContact O-N 2.81Å |
| 218 | L | 78.2 | Confident | 77.8 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 175.2 | -166.5 | 85.7 | 0 | 0 | 0 | 110.7 | Q214 I215 I220 R221 L222 | Q214-L218 WeakPolarHBondContact O-CB 3.18Å; Q214-L218 PolarHBondContact O-N 3.43Å; I215-L218 PolarHBondContact O-N 2.94Å; L218-I220 PolarHBondContact O-N 2.89Å; L218-R221 PolarHBondContact O-N 2.86Å; L218-L222 WeakPolarHBondContact O-CB 3.29Å; L218-L222 PolarHBondContact O-N 3.36Å |
| 219 | N | 79.5 | Confident | 77.9 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 178.8 | -164.9 | 14.5 | 0 | 0 | 0 | 111.4 | I215 R216 R221 L222 S223 | I215-N219 WeakPolarHBondContact O-CB 3.28Å; I215-N219 PolarHBondContact O-N 3.46Å; R216-N219 PolarHBondContact O-N 3.37Å; N219-R221 VanDerWaalsContact C-N 3.34Å; N219-R221 PolarHBondContact O-N 3.48Å; N219-L222 PolarHBondContact O-N 2.8Å; N219-S223 WeakPolarHBondContact O-CB 3.24Å; N219-S223 PolarHBondContact O-N 3.31Å; N219-S223 PolarHBondContact O-OG 3.09Å |
| 220 | I | 83.1 | Confident | 78.1 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 35% | 0.354 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.7 | -66.9 | 166.4 | 0 | 0 | 0 | 111.5 | R216 L218 R224 | R216-I220 HydrophobicContact CG-CD1 4.41Å; R216-I220 WeakPolarHBondContact O-CG1 3.2Å; R216-I220 PolarHBondContact O-N 2.99Å; R216-I220 VanDerWaalsContact O-N 3.15Å; L218-I220 PolarHBondContact O-N 2.89Å; I220-R224 WeakPolarHBondContact O-CG 3.45Å; I220-R224 PolarHBondContact O-N 3.31Å |
| 221 | R | 79.6 | Confident | 77.7 | Confident | 178 Ų | 178 | 107.1 Ų | 107.1 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | 177.8 | -75.7 | -179 | -179.1 | -178.8 | 1.1 | 111.7 | L217 L218 N219 R224 V225 | L217-R221 WeakPolarHBondContact O-CB 3.28Å; L217-R221 WeakPolarHBondContact O-CG 3.44Å; L217-R221 PolarHBondContact O-N 2.81Å; L218-R221 PolarHBondContact O-N 2.86Å; N219-R221 VanDerWaalsContact C-N 3.34Å; N219-R221 PolarHBondContact O-N 3.48Å; R221-R224 PolarHBondContact O-N 3.22Å; R221-V225 WeakPolarHBondContact O-CB 3.33Å; R221-V225 VanDerWaalsContact O-CG2 3.27Å; R221-V225 WeakPolarHBondContact O-CG2 3.46Å; R221-V225 PolarHBondContact O-N 3.07Å |
| 222 | L | 77.2 | Confident | 77.1 | Confident | 101 Ų | 101 | 106.4 Ų | 106.4 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 178.4 | -159.4 | 93.4 | 0 | 0 | 0 | 111 | L218 N219 R224 V225 I226 | L218-L222 WeakPolarHBondContact O-CB 3.29Å; L218-L222 PolarHBondContact O-N 3.36Å; N219-L222 PolarHBondContact O-N 2.8Å; L222-R224 PolarHBondContact O-N 2.94Å; L222-V225 PolarHBondContact O-N 3.18Å; L222-I226 HydrophobicContact CD2-CD1 4.1Å; L222-I226 HydrophobicContact CG-CD1 4.22Å; L222-I226 WeakPolarHBondContact O-CB 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 3.47Å |
| 223 | S | 78.9 | Confident | 76.2 | Confident | 52 Ų | 52 | 104.5 Ų | 104.5 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 173.4 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | N219 V225 I226 D227 | N219-S223 WeakPolarHBondContact O-CB 3.24Å; N219-S223 PolarHBondContact O-N 3.31Å; N219-S223 PolarHBondContact O-OG 3.09Å; S223-V225 VanDerWaalsContact C-N 3.34Å; S223-V225 PolarHBondContact O-N 3.32Å; S223-I226 PolarHBondContact O-N 3.49Å; S223-D227 PolarHBondContact O-N 3.41Å |
| 224 | R | 76.7 | Confident | 75.2 | Confident | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -35.4 | 176.3 | -75.1 | -169.4 | -139 | 155.6 | 1 | 113.7 | I220 R221 L222 S228 | I220-R224 WeakPolarHBondContact O-CG 3.45Å; I220-R224 PolarHBondContact O-N 3.31Å; R221-R224 PolarHBondContact O-N 3.22Å; L222-R224 PolarHBondContact O-N 2.94Å; R224-S228 WeakPolarHBondContact O-CB 3.49Å; R224-S228 PolarHBondContact O-N 3.3Å; R224-S228 PolarHBondContact O-OG 3.23Å |
| 225 | V | 81.8 | Confident | 73.6 | Confident | 79 Ų | 79 | 115.2 Ų | 115.2 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.6 | -41.8 | 176 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | R221 L222 S223 S228 L229 | R221-V225 WeakPolarHBondContact O-CB 3.33Å; R221-V225 VanDerWaalsContact O-CG2 3.27Å; R221-V225 WeakPolarHBondContact O-CG2 3.46Å; R221-V225 PolarHBondContact O-N 3.07Å; L222-V225 PolarHBondContact O-N 3.18Å; S223-V225 VanDerWaalsContact C-N 3.34Å; S223-V225 PolarHBondContact O-N 3.32Å; V225-S228 WeakPolarHBondContact CA-OG 3.03Å; V225-S228 PolarHBondContact O-N 3.02Å; V225-S228 PolarHBondContact O-OG 3.07Å; V225-L229 HydrophobicContact CG1-CD1 4.36Å; V225-L229 WeakPolarHBondContact O-CB 3.47Å; V225-L229 PolarHBondContact O-N 3.49Å |
| 226 | I | 80.3 | Confident | 73.6 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.6 | -49.9 | 173.3 | -80.9 | 162.1 | 0 | 0 | 0 | 110.8 | L222 S223 S228 L229 E230 | L222-I226 HydrophobicContact CD2-CD1 4.1Å; L222-I226 HydrophobicContact CG-CD1 4.22Å; L222-I226 WeakPolarHBondContact O-CB 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 3.47Å; S223-I226 PolarHBondContact O-N 3.49Å; I226-S228 VanDerWaalsContact C-N 3.26Å; I226-S228 PolarHBondContact O-N 3.02Å; I226-L229 PolarHBondContact O-N 3.27Å; I226-L229 VanDerWaalsContact O-N 3.08Å; I226-E230 WeakPolarHBondContact O-CB 3.43Å; I226-E230 PolarHBondContact O-N 3.42Å |
| 227 | D | 77.8 | Confident | 73.2 | Confident | 81 Ų | 81 | 111.7 Ų | 111.7 | 43% | 0.433 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.8 | -40.9 | 177.5 | -64.9 | -21.6 | 0 | 0 | 0 | 110.8 | S223 E230 H231 | S223-D227 PolarHBondContact O-N 3.41Å; D227-E230 PolarHBondContact O-N 3.11Å; D227-H231 PolarHBondContact O-N 3.47Å; D227-H231 PolarHBondContact O-ND1 3.48Å |
| 228 | S | 74.8 | Confident | 72.9 | Confident | 63 Ų | 63 | 112.8 Ų | 112.8 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.2 | -32 | 177.7 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | R224 V225 I226 S232 | R224-S228 WeakPolarHBondContact O-CB 3.49Å; R224-S228 PolarHBondContact O-N 3.3Å; R224-S228 PolarHBondContact O-OG 3.23Å; V225-S228 WeakPolarHBondContact CA-OG 3.03Å; V225-S228 PolarHBondContact O-N 3.02Å; V225-S228 PolarHBondContact O-OG 3.07Å; I226-S228 VanDerWaalsContact C-N 3.26Å; I226-S228 PolarHBondContact O-N 3.02Å; S228-S232 VanDerWaalsContact O-CB 3.31Å; S228-S232 WeakPolarHBondContact O-CB 3.36Å; S228-S232 PolarHBondContact O-N 3.27Å; S228-S232 VanDerWaalsContact O-N 3.09Å; S228-S232 PolarHBondContact O-OG 2.81Å |
| 229 | L | 74.8 | Confident | 72.6 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.2 | -38.2 | 176.5 | -128.3 | 111.2 | 0 | 0 | 0 | 110.8 | V225 I226 S232 G233 | V225-L229 HydrophobicContact CG1-CD1 4.36Å; V225-L229 WeakPolarHBondContact O-CB 3.47Å; V225-L229 PolarHBondContact O-N 3.49Å; I226-L229 PolarHBondContact O-N 3.27Å; I226-L229 VanDerWaalsContact O-N 3.08Å; L229-S232 CarbonylContact O-C 3.56Å; L229-S232 PolarHBondContact O-N 3.07Å; L229-G233 PolarHBondContact O-N 3.42Å |
| 230 | E | 72.5 | Confident | 72.1 | Confident | 119 Ų | 119 | 113.2 Ų | 113.2 | 56% | 0.556 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.7 | -47.1 | 174.7 | -170.2 | 169.5 | -170.7 | 0 | 0 | 110.5 | I226 D227 S232 G233 E234 | I226-E230 WeakPolarHBondContact O-CB 3.43Å; I226-E230 PolarHBondContact O-N 3.42Å; D227-E230 PolarHBondContact O-N 3.11Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.37Å; E230-G233 PolarHBondContact O-N 3.01Å; E230-G233 VanDerWaalsContact O-N 3.14Å; E230-E234 PolarHBondContact O-N 3.13Å |
| 231 | H | 67.4 | Low | 71.4 | Confident | 137 Ų | 137 | 116.1 Ų | 116.1 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -24.4 | 175.5 | -73.7 | 72.2 | 0 | 0 | 0 | 113.7 | D227 | D227-H231 PolarHBondContact O-N 3.47Å; D227-H231 PolarHBondContact O-ND1 3.48Å |
| 232 | S | 64.9 | Low | 70.8 | Confident | 86 Ų | 86 | 111.7 Ų | 111.7 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.1 | -13.9 | 175 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | S228 L229 E230 | S228-S232 VanDerWaalsContact O-CB 3.31Å; S228-S232 WeakPolarHBondContact O-CB 3.36Å; S228-S232 PolarHBondContact O-N 3.27Å; S228-S232 VanDerWaalsContact O-N 3.09Å; S228-S232 PolarHBondContact O-OG 2.81Å; L229-S232 CarbonylContact O-C 3.56Å; L229-S232 PolarHBondContact O-N 3.07Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.37Å |
| 233 | G | 57.9 | Low | 70.3 | Confident | 63 Ų | 63 | 112.5 Ų | 112.5 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.2 | -14.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L229 E230 | L229-G233 PolarHBondContact O-N 3.42Å; E230-G233 PolarHBondContact O-N 3.01Å; E230-G233 VanDerWaalsContact O-N 3.14Å |
| 234 | E | 57.4 | Low | 69.6 | Low | 168 Ų | 168 | 117.6 Ų | 117.6 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -98.6 | 6.8 | 178.6 | -64 | -162.5 | 131.7 | 0 | 0 | 114.1 | E230 | E230-E234 PolarHBondContact O-N 3.13Š| ||
| 235 | Q | 48.9 | Very low | 68.9 | Low | 233 Ų | 233 | 113 Ų | 113 | 100% | 1.089 | 62% | 0.616 | S | S | * | * | trans | -104.6 | 0 | 167.7 | -85.5 | -175.8 | -7.5 | 0 | 0 | 111.2 |
Retrieved 235 of 235 residues in 585.7 ms
(Link to these results)