| 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 | 48.7 | Very low | 59.6 | Low | 234 Ų | 234 | 112.1 Ų | 112.1 | 100% | 1.153 | 60% | 0.604 | S | S | * | * | 0 | 51.7 | 0 | -159.2 | 168.1 | 165.9 | 0 | 0 | 110.7 | |||||
| 2 | I | 56.6 | Low | 60.3 | Low | 162 Ų | 162 | 114.7 Ų | 114.7 | 83% | 0.831 | 61% | 0.606 | S | S | * | * | trans | -120.9 | 0.3 | -170.4 | -74.1 | 164.3 | 0 | 0 | 0 | 112.7 | ||||
| 3 | G | 59.1 | Low | 60.7 | Low | 51 Ų | 51 | 112.1 Ų | 112.1 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -94.9 | -9.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 4 | T | 60.4 | Low | 60.9 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -84.7 | -27.6 | -173.3 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | Y8 | T4-Y8 WeakPolarHBondContact O-CB 3.29Å; T4-Y8 PolarHBondContact O-N 2.93Å; T4-Y8 VanDerWaalsContact O-N 3.16Å |
| 5 | S | 61 | Low | 61 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.2 | -37.1 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 113 | Q9 | S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 3.45Å; S5-Q9 VanDerWaalsContact O-N 3.15Å |
| 6 | S | 64.5 | Low | 61 | Low | 39 Ų | 39 | 111.1 Ų | 111.1 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.8 | -40.4 | 179.2 | 69 | 0 | 0 | 0 | 0 | 111.8 | Q9 L10 | S6-Q9 PolarHBondContact O-N 3.19Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.96Å |
| 7 | L | 58.4 | Low | 60.7 | Low | 113 Ų | 113 | 109.4 Ų | 109.4 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.3 | -38.2 | -178.5 | -151.1 | 134.6 | 0 | 0 | 0 | 111.4 | L10 L11 | L7-L10 PolarHBondContact O-N 3.21Å; L7-L11 HydrophobicContact CD2-CD1 3.9Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.39Å |
| 8 | Y | 56.7 | Low | 60.4 | Low | 160 Ų | 160 | 111.7 Ų | 111.7 | 63% | 0.627 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -40.6 | 172.3 | -176.4 | -102.4 | 0 | 0 | 0 | 112.5 | T4 L11 K12 | T4-Y8 WeakPolarHBondContact O-CB 3.29Å; T4-Y8 PolarHBondContact O-N 2.93Å; T4-Y8 VanDerWaalsContact O-N 3.16Å; Y8-L11 PolarHBondContact O-N 3.21Å; Y8-K12 WeakPolarHBondContact O-CB 3.45Å; Y8-K12 PolarHBondContact O-N 3.48Å |
| 9 | Q | 63.1 | Low | 60.1 | Low | 131 Ų | 131 | 109.5 Ų | 109.5 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 174.2 | -74.8 | -174.1 | 8.6 | 0 | 0 | 112 | S5 S6 K12 I13 | S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 3.45Å; S5-Q9 VanDerWaalsContact O-N 3.15Å; S6-Q9 PolarHBondContact O-N 3.19Å; Q9-K12 PolarHBondContact O-N 2.97Å; Q9-I13 VanDerWaalsContact O-CG1 3.31Å; Q9-I13 WeakPolarHBondContact O-CG1 3.33Å; Q9-I13 PolarHBondContact O-N 3.16Å |
| 10 | L | 60.9 | Low | 59.4 | Low | 79 Ų | 79 | 110.3 Ų | 110.3 | 41% | 0.414 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -42.2 | 178.1 | -147.4 | 116.9 | 0 | 0 | 0 | 111.7 | S6 L7 I13 T14 | S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-I13 PolarHBondContact O-N 3.02Å; L10-T14 PolarHBondContact O-N 3.48Å; L10-T14 PolarHBondContact O-OG1 2.91Å |
| 11 | L | 66.9 | Low | 58.8 | Low | 78 Ų | 78 | 108 Ų | 108 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | 172.8 | -82.3 | 162.2 | 0 | 0 | 0 | 111.2 | L7 Y8 I13 T14 F15 | L7-L11 HydrophobicContact CD2-CD1 3.9Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.39Å; Y8-L11 PolarHBondContact O-N 3.21Å; L11-I13 VanDerWaalsContact C-N 3.29Å; L11-I13 PolarHBondContact O-N 3.35Å; L11-T14 PolarHBondContact O-N 3.35Å; L11-T14 VanDerWaalsContact O-N 3.09Å; L11-F15 HydrophobicContact CB-CD2 4.32Å; L11-F15 HydrophobicContact CB-CE2 4.3Å; L11-F15 HydrophobicContact CD2-CE2 3.86Å; L11-F15 WeakPolarHBondContact O-CD2 3.34Å; L11-F15 PolarHBondContact O-N 3.45Å |
| 12 | K | 67.4 | Low | 58.8 | Low | 143 Ų | 143 | 100.8 Ų | 100.8 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.6 | -39.1 | 179.6 | -168.1 | 175.6 | -178.1 | 178.4 | 0 | 112.4 | Y8 Q9 F16 | Y8-K12 WeakPolarHBondContact O-CB 3.45Å; Y8-K12 PolarHBondContact O-N 3.48Å; Q9-K12 PolarHBondContact O-N 2.97Å; K12-F16 PolarHBondContact O-N 3.39Å; K12-F16 VanDerWaalsContact O-N 3.13Å |
| 13 | I | 65.7 | Low | 58.2 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 174.6 | -66.8 | 166.6 | 0 | 0 | 0 | 110.2 | Q9 L10 L11 F15 F16 F17 | Q9-I13 VanDerWaalsContact O-CG1 3.31Å; Q9-I13 WeakPolarHBondContact O-CG1 3.33Å; Q9-I13 PolarHBondContact O-N 3.16Å; L10-I13 PolarHBondContact O-N 3.02Å; L11-I13 VanDerWaalsContact C-N 3.29Å; L11-I13 PolarHBondContact O-N 3.35Å; I13-F15 PolarHBondContact O-N 3.27Å; I13-F16 WeakPolarHBondContact O-CB 3.36Å; I13-F16 PolarHBondContact O-N 3.46Å; I13-F17 HydrophobicContact CG2-CD2 4.06Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 3.32Å |
| 14 | T | 63.8 | Low | 57.5 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.4 | -47.8 | 0 | 0 | 0 | 0 | 112 | L10 L11 F16 F17 Y18 | L10-T14 PolarHBondContact O-N 3.48Å; L10-T14 PolarHBondContact O-OG1 2.91Å; L11-T14 PolarHBondContact O-N 3.35Å; L11-T14 VanDerWaalsContact O-N 3.09Å; T14-F16 VanDerWaalsContact C-N 3.33Å; T14-F16 PolarHBondContact O-N 3.42Å; T14-F17 PolarHBondContact O-N 2.96Å; T14-Y18 PolarHBondContact O-N 3.27Å; T14-Y18 VanDerWaalsContact O-N 3.09Å |
| 15 | F | 62 | Low | 56.7 | Low | 141 Ų | 141 | 106.2 Ų | 106.2 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -30.3 | 176.5 | -78.9 | -68.1 | 0 | 0 | 0 | 113.2 | L11 I13 F17 Y18 P19 | L11-F15 HydrophobicContact CB-CD2 4.32Å; L11-F15 HydrophobicContact CB-CE2 4.3Å; L11-F15 HydrophobicContact CD2-CE2 3.86Å; L11-F15 WeakPolarHBondContact O-CD2 3.34Å; L11-F15 PolarHBondContact O-N 3.45Å; I13-F15 PolarHBondContact O-N 3.27Å; F15-F17 VanDerWaalsContact C-N 3.25Å; F15-F17 PolarHBondContact O-N 3.25Å; F15-Y18 PolarHBondContact O-N 2.97Å; F15-P19 WeakPolarHBondContact O-CD 3.35Å |
| 16 | F | 60.8 | Low | 56.1 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 45% | 0.452 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -29.7 | 174.5 | -173.2 | -97.4 | 0 | 0 | 0 | 112.5 | K12 I13 T14 P19 A39 | K12-F16 PolarHBondContact O-N 3.39Å; K12-F16 VanDerWaalsContact O-N 3.13Å; I13-F16 WeakPolarHBondContact O-CB 3.36Å; I13-F16 PolarHBondContact O-N 3.46Å; T14-F16 VanDerWaalsContact C-N 3.33Å; T14-F16 PolarHBondContact O-N 3.42Å; F16-P19 WeakPolarHBondContact O-CD 3.48Å; F16-A39 HydrophobicContact CE2-CB 3.97Å |
| 17 | F | 56.2 | Low | 55.1 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 36% | 0.36 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -91 | -23 | 177.8 | -64.8 | -64.8 | 0 | 0 | 0 | 114.1 | I13 T14 F15 P19 Y20 K109 | I13-F17 HydrophobicContact CG2-CD2 4.06Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 3.32Å; T14-F17 PolarHBondContact O-N 2.96Å; F15-F17 VanDerWaalsContact C-N 3.25Å; F15-F17 PolarHBondContact O-N 3.25Å; F17-P19 VanDerWaalsContact C-CD 3.42Å; F17-Y20 PolarHBondContact O-N 3.33Å; F17-K109 HydrophobicContact CD1-CD 4.08Å; F17-K109 HydrophobicContact CE1-CD 4.07Å; F17-K109 HydrophobicContact CE1-CG 4.46Å |
| 18 | Y | 56.1 | Low | 54.5 | Low | 151 Ų | 151 | 114.5 Ų | 114.5 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.8 | -35.8 | -179 | -149.5 | -98.5 | 0 | 0 | 0 | 116 | T14 F15 Y20 A21 T22 | T14-Y18 PolarHBondContact O-N 3.27Å; T14-Y18 VanDerWaalsContact O-N 3.09Å; F15-Y18 PolarHBondContact O-N 2.97Å; Y18-Y20 PolarHBondContact O-N 2.78Å; Y18-Y20 VanDerWaalsContact O-N 3.13Å; Y18-A21 PolarHBondContact O-N 2.98Å; Y18-A21 VanDerWaalsContact O-N 3.17Å; Y18-T22 PolarHBondContact O-OG1 2.97Å |
| 19 | P | 54 | Low | 53.6 | Low | 69 Ų | 69 | 114 Ų | 114 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.8 | -22 | -179.2 | 24.2 | -34.5 | 0 | 0 | 0 | 113.1 | F15 F16 F17 V23 | F15-P19 WeakPolarHBondContact O-CD 3.35Å; F16-P19 WeakPolarHBondContact O-CD 3.48Å; F17-P19 VanDerWaalsContact C-CD 3.42Å; P19-V23 VanDerWaalsContact O-CG2 3.24Å; P19-V23 WeakPolarHBondContact O-CG2 3.35Å |
| 20 | Y | 45.9 | Very low | 52.3 | Low | 126 Ų | 126 | 110.8 Ų | 110.8 | 49% | 0.494 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.8 | -26.3 | 178.9 | -66.3 | -79.8 | 0 | 0 | 0 | 113.3 | F17 Y18 | F17-Y20 PolarHBondContact O-N 3.33Å; Y18-Y20 PolarHBondContact O-N 2.78Å; Y18-Y20 VanDerWaalsContact O-N 3.13Å |
| 21 | A | 47.4 | Very low | 51.4 | Low | 63 Ų | 63 | 113.5 Ų | 113.5 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79 | -33.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y18 | Y18-A21 PolarHBondContact O-N 2.98Å; Y18-A21 VanDerWaalsContact O-N 3.17Å |
| 22 | T | 47.6 | Very low | 49.9 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.6 | -29.7 | -179.8 | -25.2 | 0 | 0 | 0 | 0 | 112.4 | Y18 | Y18-T22 PolarHBondContact O-OG1 2.97Å |
| 23 | V | 44.6 | Very low | 48.8 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.6 | -25.2 | -177.3 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | P19 K25 | P19-V23 VanDerWaalsContact O-CG2 3.24Å; P19-V23 WeakPolarHBondContact O-CG2 3.35Å; V23-K25 VanDerWaalsContact C-N 3.26Å; V23-K25 PolarHBondContact O-N 2.9Å |
| 24 | L | 45.2 | Very low | 47.4 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 67% | 0.665 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -13.5 | 177.2 | -76.1 | 164.7 | 0 | 0 | 0 | 113.8 | ||
| 25 | K | 43.6 | Very low | 46.6 | Very low | 197 Ų | 197 | 125.5 Ų | 125.5 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 1.2 | -179 | -136.2 | 175.4 | -176.8 | -179.8 | 0 | 114 | V23 | V23-K25 VanDerWaalsContact C-N 3.26Å; V23-K25 PolarHBondContact O-N 2.9Å |
| 26 | V | 47.8 | Very low | 45.7 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -133.4 | 63 | -176.5 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 27 | G | 43.7 | Very low | 44.5 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -122.1 | 6.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 28 | K | 44.7 | Very low | 43.6 | Very low | 202 Ų | 202 | 125.7 Ų | 125.7 | 88% | 0.878 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -91.9 | 106.7 | 170.3 | -82.2 | -175.6 | 177.4 | 177.4 | 0 | 108.5 | ||
| 29 | V | 38 | Very low | 43.1 | Very low | 150 Ų | 150 | 122 Ų | 122 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 73.9 | 114.7 | 168.3 | -168.6 | 0 | 0 | 0 | 0 | 115 | ||
| 30 | G | 36.7 | Very low | 42.7 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | 119.5 | 116.7 | 147 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 31 | V | 42.1 | Very low | 42.9 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | 78.2 | 121.7 | 134.7 | -167.9 | 0 | 0 | 0 | 0 | 118.1 | V33 | V31-V33 PolarHBondContact O-N 2.96Š| ||
| 32 | V | 34.2 | Very low | 43.1 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | trans | -59.5 | 119.6 | 171.6 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 33 | V | 45 | Very low | 43.3 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | -125.6 | 111 | 168.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | V31 I35 | V31-V33 PolarHBondContact O-N 2.96Å; V33-I35 HydrophobicContact CG1-CG1 4.11Å; V33-I35 PolarHBondContact O-N 3.39Å | ||
| 34 | R | 35.9 | Very low | 44 | Very low | 226 Ų | 226 | 121.5 Ų | 121.5 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -61.7 | 128.7 | 163.1 | -77.7 | -174.2 | -164.7 | -174.4 | 4.9 | 107.7 | ||||
| 35 | I | 47.8 | Very low | 44.4 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | trans | -119 | 111.7 | 160.4 | -56.6 | -179 | 0 | 0 | 0 | 107.2 | V33 | V33-I35 HydrophobicContact CG1-CG1 4.11Å; V33-I35 PolarHBondContact O-N 3.39Å | ||
| 36 | V | 42.2 | Very low | 45.2 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | trans | -82 | 139.3 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 37 | D | 36.9 | Very low | 45.7 | Very low | 160 Ų | 160 | 117.4 Ų | 117.4 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | trans | 69 | 130.5 | 164.5 | -82.6 | -56.6 | 0 | 0 | 0 | 121 | ||||
| 38 | G | 36.8 | Very low | 46.7 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 137.7 | 81.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 39 | A | 44.2 | Very low | 47.7 | Very low | 72 Ų | 72 | 117.2 Ų | 117.2 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | trans | 71.8 | 55.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117 | F16 G41 | F16-A39 HydrophobicContact CE2-CB 3.97Å; A39-G41 PolarHBondContact O-N 3.45Å | ||
| 40 | F | 46.9 | Very low | 48.9 | Very low | 149 Ų | 149 | 116 Ų | 116 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | trans | -101.5 | 69.9 | 167.2 | -110.5 | -52.4 | 0 | 0 | 0 | 108.6 | S44 | F40-S44 WeakPolarHBondContact CB-OG 3.45Å; F40-S44 WeakPolarHBondContact CD1-OG 3.48Å; F40-S44 WeakPolarHBondContact CG-OG 3.42Å; F40-S44 PolarHBondContact O-OG 3.32Å | ||
| 41 | G | 49 | Very low | 50 | Low | 53 Ų | 53 | 115.3 Ų | 115.3 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | trans | -57.4 | 148.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A39 V43 | A39-G41 PolarHBondContact O-N 3.45Å; G41-V43 PolarHBondContact O-N 3.33Å | ||
| 42 | P | 51.9 | Low | 50.7 | Low | 112 Ų | 112 | 117.8 Ų | 117.8 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31 | -16.7 | -141 | 14.7 | -33.6 | 0 | 0 | 0 | 122.6 | L46 | P42-L46 PolarHBondContact O-N 3.06Š|
| 43 | V | 53.2 | Low | 51.6 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.5 | -40.8 | -170.8 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | G41 L46 F47 | G41-V43 PolarHBondContact O-N 3.33Å; V43-L46 VanDerWaalsContact O-CB 3.24Å; V43-L46 WeakPolarHBondContact O-CB 3.39Å; V43-L46 PolarHBondContact O-N 2.96Å; V43-F47 HydrophobicContact CG1-CD2 3.96Å; V43-F47 HydrophobicContact CG1-CE2 3.73Å; V43-F47 WeakPolarHBondContact O-CD2 3.39Å; V43-F47 PolarHBondContact O-N 2.96Å |
| 44 | S | 57.8 | Low | 51.9 | Low | 31 Ų | 31 | 121.6 Ų | 121.6 | 22% | 0.217 | 64% | 0.644 | C | S | . | * | H | α-helix | trans | -73.9 | -27.1 | 176.9 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | F40 L46 F47 W48 | F40-S44 WeakPolarHBondContact CB-OG 3.45Å; F40-S44 WeakPolarHBondContact CD1-OG 3.48Å; F40-S44 WeakPolarHBondContact CG-OG 3.42Å; F40-S44 PolarHBondContact O-OG 3.32Å; S44-L46 VanDerWaalsContact C-N 3.25Å; S44-F47 PolarHBondContact O-N 2.93Å; S44-W48 WeakPolarHBondContact O-CB 3.36Å; S44-W48 PolarHBondContact O-N 3.15Å |
| 45 | L | 53.3 | Low | 52.6 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -34.9 | 171.3 | -149.1 | 125.5 | 0 | 0 | 0 | 109.9 | W48 L49 | L45-W48 PolarHBondContact O-N 3.49Å; L45-L49 HydrophobicContact CD2-CD1 3.97Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.3Å |
| 46 | L | 60.2 | Low | 52.6 | Low | 108 Ų | 108 | 113.5 Ų | 113.5 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -44.9 | 171.2 | -142.2 | 83.4 | 0 | 0 | 0 | 112.1 | P42 V43 S44 W48 L49 L50 | P42-L46 PolarHBondContact O-N 3.06Å; V43-L46 VanDerWaalsContact O-CB 3.24Å; V43-L46 WeakPolarHBondContact O-CB 3.39Å; V43-L46 PolarHBondContact O-N 2.96Å; S44-L46 VanDerWaalsContact C-N 3.25Å; L46-W48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.26Å |
| 47 | F | 59.9 | Low | 52.8 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.8 | -31.4 | 176.1 | -80.4 | -74.3 | 0 | 0 | 0 | 113.2 | V43 S44 G51 | V43-F47 HydrophobicContact CG1-CD2 3.96Å; V43-F47 HydrophobicContact CG1-CE2 3.73Å; V43-F47 WeakPolarHBondContact O-CD2 3.39Å; V43-F47 PolarHBondContact O-N 2.96Å; S44-F47 PolarHBondContact O-N 2.93Å; F47-G51 PolarHBondContact O-N 3.4Å |
| 48 | W | 64.8 | Low | 53.6 | Low | 162 Ų | 162 | 121.3 Ų | 121.3 | 61% | 0.614 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70 | -42.2 | 174 | -176.1 | -77.5 | 0 | 0 | 0 | 111.4 | S44 L45 L46 G51 W52 | S44-W48 WeakPolarHBondContact O-CB 3.36Å; S44-W48 PolarHBondContact O-N 3.15Å; L45-W48 PolarHBondContact O-N 3.49Å; L46-W48 VanDerWaalsContact C-N 3.34Å; W48-G51 PolarHBondContact O-N 2.94Å; W48-W52 AromaticContact CD1-CE3 3.48Å; W48-W52 VanDerWaalsContact CD1-CE3 3.48Å; W48-W52 AromaticContact CD1-CZ3 3.66Å; W48-W52 AromaticContact CE2-CE3 3.89Å; W48-W52 AromaticContact CE2-CH2 3.67Å; W48-W52 AromaticContact CE2-CZ3 3.52Å; W48-W52 HydrophobicContact CZ2-CE3 4.48Å; W48-W52 AromaticContact CZ2-CH2 3.45Å; W48-W52 HydrophobicContact CZ2-CH2 3.45Å; W48-W52 VanDerWaalsContact CZ2-CH2 3.45Å; W48-W52 AromaticContact CZ2-CZ2 3.95Å; W48-W52 HydrophobicContact CZ2-CZ2 3.95Å; W48-W52 AromaticContact CZ2-CZ3 3.83Å; W48-W52 HydrophobicContact CZ2-CZ3 3.83Å; W48-W52 AromaticContact NE1-CD2 3.97Å; W48-W52 AromaticContact NE1-CE3 3.01Å; W48-W52 AromaticContact NE1-CH2 3.4Å; W48-W52 AromaticContact NE1-CZ3 2.74Å; W48-W52 PolarHBondContact O-N 3.47Å |
| 49 | L | 64.4 | Low | 54.1 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 58% | 0.581 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.6 | -36.1 | 173.9 | -74.5 | 168.2 | 0 | 0 | 0 | 112.8 | L45 L46 | L45-L49 HydrophobicContact CD2-CD1 3.97Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.3Å; L46-L49 PolarHBondContact O-N 3.01Å |
| 50 | L | 63.8 | Low | 54.7 | Low | 124 Ų | 124 | 126.2 Ų | 126.2 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.2 | -32.3 | 176.4 | -71.1 | 167.9 | 0 | 0 | 0 | 112.6 | L46 | L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.26Å |
| 51 | G | 60.9 | Low | 54.8 | Low | 49 Ų | 49 | 124.9 Ų | 124.9 | 51% | 0.505 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.2 | -20.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F47 W48 K53 | F47-G51 PolarHBondContact O-N 3.4Å; W48-G51 PolarHBondContact O-N 2.94Å; G51-K53 VanDerWaalsContact C-N 3.33Å; G51-K53 PolarHBondContact O-N 3.24Å |
| 52 | W | 56.2 | Low | 54.9 | Low | 189 Ų | 189 | 127.2 Ų | 127.2 | 72% | 0.716 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -0.9 | -179.5 | -116.5 | -30.7 | 0 | 0 | 0 | 115.4 | W48 | W48-W52 AromaticContact CD1-CE3 3.48Å; W48-W52 VanDerWaalsContact CD1-CE3 3.48Å; W48-W52 AromaticContact CD1-CZ3 3.66Å; W48-W52 AromaticContact CE2-CE3 3.89Å; W48-W52 AromaticContact CE2-CH2 3.67Å; W48-W52 AromaticContact CE2-CZ3 3.52Å; W48-W52 HydrophobicContact CZ2-CE3 4.48Å; W48-W52 AromaticContact CZ2-CH2 3.45Å; W48-W52 HydrophobicContact CZ2-CH2 3.45Å; W48-W52 VanDerWaalsContact CZ2-CH2 3.45Å; W48-W52 AromaticContact CZ2-CZ2 3.95Å; W48-W52 HydrophobicContact CZ2-CZ2 3.95Å; W48-W52 AromaticContact CZ2-CZ3 3.83Å; W48-W52 HydrophobicContact CZ2-CZ3 3.83Å; W48-W52 AromaticContact NE1-CD2 3.97Å; W48-W52 AromaticContact NE1-CE3 3.01Å; W48-W52 AromaticContact NE1-CH2 3.4Å; W48-W52 AromaticContact NE1-CZ3 2.74Å; W48-W52 PolarHBondContact O-N 3.47Å |
| 53 | K | 52.7 | Low | 54.7 | Low | 182 Ų | 182 | 129.5 Ų | 129.5 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 31 | 175.7 | -97.4 | -165.8 | -179.8 | -176.9 | 0 | 114.4 | G51 P55 | G51-K53 VanDerWaalsContact C-N 3.33Å; G51-K53 PolarHBondContact O-N 3.24Å; K53-P55 WeakPolarHBondContact O-CD 3.03Å |
| 54 | I | 52.2 | Low | 54.6 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | trans | -99.6 | 94.6 | 165.7 | -59.2 | 169.1 | 0 | 0 | 0 | 108.8 | S56 | I54-S56 PolarHBondContact O-N 3.38Š| ||
| 55 | P | 50.2 | Low | 54.3 | Low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -69.4 | 129.2 | 172.6 | 27.7 | -31.9 | 0 | 0 | 0 | 110.3 | K53 K57 | K53-P55 WeakPolarHBondContact O-CD 3.03Å; P55-K57 PolarHBondContact O-N 2.87Å; P55-K57 VanDerWaalsContact O-N 3.12Å | ||
| 56 | S | 46.5 | Very low | 54.2 | Low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -24.6 | 106.8 | 156.4 | -179.4 | 0 | 0 | 0 | 0 | 113.3 | I54 | I54-S56 PolarHBondContact O-N 3.38Š| ||
| 57 | K | 47.6 | Very low | 54 | Low | 204 Ų | 204 | 135.2 Ų | 135.2 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | -111.8 | 104 | 154.3 | -78.3 | -166.2 | 177.3 | -176.4 | 0 | 108 | P55 V59 | P55-K57 PolarHBondContact O-N 2.87Å; P55-K57 VanDerWaalsContact O-N 3.12Å; K57-V59 PolarHBondContact O-N 2.96Å | ||
| 58 | R | 52.9 | Low | 53.6 | Low | 225 Ų | 225 | 135.5 Ų | 135.5 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 129.4 | 168.7 | -64.9 | 174.3 | 178.4 | -175.9 | -2.1 | 109.5 | P60 | R58-P60 WeakPolarHBondContact O-CD 3.31Š|
| 59 | V | 48.7 | Very low | 53.2 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 120.6 | 163.3 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | K57 S61 | K57-V59 PolarHBondContact O-N 2.96Å; V59-S61 PolarHBondContact O-N 3.25Å |
| 60 | P | 55.6 | Low | 52.5 | Low | 101 Ų | 101 | 137.5 Ų | 137.5 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126.6 | 177 | 28.8 | -30.6 | 0 | 0 | 0 | 109.3 | R58 S62 | R58-P60 WeakPolarHBondContact O-CD 3.31Å; P60-S62 PolarHBondContact O-N 3.16Å |
| 61 | S | 48.6 | Very low | 52.2 | Low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -65.7 | 92.6 | 160.9 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | V59 | V59-S61 PolarHBondContact O-N 3.25Š| ||
| 62 | S | 51.3 | Low | 51.7 | Low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -97 | 95.4 | 174.1 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | P60 | P60-S62 PolarHBondContact O-N 3.16Š| ||
| 63 | N | 48.5 | Very low | 51.4 | Low | 160 Ų | 160 | 135.4 Ų | 135.4 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -58.1 | 132 | 150.1 | -73 | -25 | 0 | 0 | 0 | 109 | ||||
| 64 | S | 51.5 | Low | 51.4 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 177.9 | 147.6 | 144.7 | 38.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 65 | C | 51.2 | Low | 51.4 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | 76.2 | 98.8 | 176.6 | -116.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 66 | G | 50.4 | Low | 51.4 | Low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | 80.9 | 68.5 | 30.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | L | 55.5 | Low | 51.6 | Low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -158 | 97.9 | 151.7 | -118.2 | 133 | 0 | 0 | 0 | 110.8 | ||||
| 68 | D | 52.1 | Low | 52.1 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -78.9 | 112.9 | 170.9 | -168.8 | 4.1 | 0 | 0 | 0 | 108 | ||||
| 69 | T | 56.6 | Low | 52.1 | Low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -166.5 | 100.4 | 157.3 | 35.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 70 | K | 49.8 | Very low | 52.1 | Low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | 20.9 | 107.1 | 138.5 | -62.7 | 179.1 | 178.3 | 178.3 | 0 | 118.6 | ||||
| 71 | S | 56.9 | Low | 51.8 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 57.6 | 159.6 | 118.2 | -128.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 72 | P | 51.3 | Low | 51.7 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | -137.7 | -179.7 | -66.1 | 40.6 | -24.1 | 0 | 0 | 0 | 113 | |||||
| 73 | A | 49.4 | Very low | 51.9 | Low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 84.5 | 142.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 74 | K | 52.7 | Low | 52.2 | Low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 88.1 | 118.3 | 164.3 | -83.4 | 179.9 | 172.9 | 176.2 | 0 | 119.5 | ||||
| 75 | N | 52.4 | Low | 52.2 | Low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 84.7 | 114.9 | 138.3 | -59.6 | -10.9 | 0 | 0 | 0 | 118.5 | ||||
| 76 | G | 50.4 | Low | 52.6 | Low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 139.4 | 57.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M78 | G76-M78 PolarHBondContact O-N 2.95Š| ||
| 77 | A | 50.5 | Low | 52.9 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 95% | 0.95 | 77% | 0.773 | S | S | * | * | trans | -70.6 | 75.4 | 162 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 78 | M | 58.1 | Low | 53.2 | Low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -79.2 | 130.6 | 175.2 | -163.7 | 168.2 | -124 | 0 | 0 | 108.8 | G76 I80 | G76-M78 PolarHBondContact O-N 2.95Å; M78-I80 PolarHBondContact O-N 3.43Å | ||
| 79 | S | 51.5 | Low | 53.6 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -44.4 | 114.4 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | K81 | S79-K81 PolarHBondContact O-N 3.27Š| ||
| 80 | I | 48.9 | Very low | 53.8 | Low | 166 Ų | 166 | 135.2 Ų | 135.2 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -72.2 | 92.4 | 171.2 | -59.6 | 170.8 | 0 | 0 | 0 | 107.6 | M78 R82 | M78-I80 PolarHBondContact O-N 3.43Å; I80-R82 PolarHBondContact O-N 3.43Å | ||
| 81 | K | 49.7 | Very low | 54.6 | Low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -63.9 | 120.5 | 164.4 | -79.7 | -176.2 | 176.6 | 178.6 | 0 | 108.8 | S79 S83 | S79-K81 PolarHBondContact O-N 3.27Å; K81-S83 PolarHBondContact O-N 3.17Å | ||
| 82 | R | 47.6 | Very low | 55.3 | Low | 250 Ų | 250 | 135.8 Ų | 135.8 | 94% | 0.943 | 73% | 0.734 | S | S | * | * | trans | -47.2 | 123.1 | 169.9 | -75.2 | 172 | 173.7 | 160.6 | -2.5 | 111.7 | I80 | I80-R82 PolarHBondContact O-N 3.43Š| ||
| 83 | S | 54.6 | Low | 56.4 | Low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -148 | 74.4 | 166.7 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | K81 | K81-S83 PolarHBondContact O-N 3.17Š| ||
| 84 | T | 54.9 | Low | 57.5 | Low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -148.9 | 68.7 | 158.2 | 24.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 85 | P | 51.2 | Low | 58.6 | Low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | trans | -105.5 | 30.8 | 172.7 | 40.5 | -31.8 | 0 | 0 | 0 | 114.2 | ||||
| 86 | S | 59.4 | Low | 59.7 | Low | 68 Ų | 68 | 137.2 Ų | 137.2 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -102.7 | -29.1 | -177.7 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | Y90 | S86-Y90 WeakPolarHBondContact O-CD2 3.44Š|
| 87 | I | 58.1 | Low | 61 | Low | 115 Ų | 115 | 137.9 Ų | 137.9 | 59% | 0.59 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74.5 | -32.4 | -172.1 | -62.7 | 171 | 0 | 0 | 0 | 112.7 | R91 | I87-R91 PolarHBondContact O-N 3.05Å |
| 88 | T | 61.2 | Low | 62.3 | Low | 92 Ų | 92 | 137.9 Ų | 137.9 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.3 | -42.2 | 179.5 | 40.3 | 0 | 0 | 0 | 0 | 112.4 | Y90 R91 E92 | T88-Y90 VanDerWaalsContact C-N 3.29Å; T88-Y90 PolarHBondContact O-N 3.38Å; T88-R91 PolarHBondContact O-N 3.03Å; T88-R91 VanDerWaalsContact O-N 3.11Å; T88-E92 PolarHBondContact O-N 3.22Å; T88-E92 VanDerWaalsContact O-N 3.14Å |
| 89 | K | 61.4 | Low | 63.1 | Low | 158 Ų | 158 | 134.6 Ų | 134.6 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.3 | -32.9 | 179.9 | -162.2 | 174.7 | -175 | 176.6 | 0 | 113 | K93 | K89-K93 PolarHBondContact O-N 2.99Å |
| 90 | Y | 60.4 | Low | 64.5 | Low | 155 Ų | 155 | 135.4 Ų | 135.4 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -45.9 | 172.9 | -80.1 | -75.1 | 0 | 0 | 0 | 111.6 | S86 T88 E92 K93 Y94 | S86-Y90 WeakPolarHBondContact O-CD2 3.44Å; T88-Y90 VanDerWaalsContact C-N 3.29Å; T88-Y90 PolarHBondContact O-N 3.38Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.01Å; Y90-K93 PolarHBondContact O-N 3.3Å; Y90-Y94 HydrophobicContact CD1-CE2 4.32Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.28Å; Y90-Y94 PolarHBondContact O-N 3.44Å; Y90-Y94 VanDerWaalsContact O-N 3.15Å |
| 91 | R | 66.3 | Low | 65.9 | Low | 191 Ų | 191 | 133 Ų | 133 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | -178.6 | -73.6 | -171.7 | 173.9 | -163.5 | -1 | 112.8 | I87 T88 Y94 F95 | I87-R91 PolarHBondContact O-N 3.05Å; T88-R91 PolarHBondContact O-N 3.03Å; T88-R91 VanDerWaalsContact O-N 3.11Å; R91-Y94 PolarHBondContact O-N 3.33Å; R91-F95 WeakPolarHBondContact O-CB 3.39Å; R91-F95 PolarHBondContact O-N 3.09Å |
| 92 | E | 72 | Confident | 67.3 | Low | 130 Ų | 130 | 127.9 Ų | 127.9 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -46.3 | 177.4 | -71.7 | 172.7 | 174.7 | 0 | 0 | 111.7 | T88 Y90 Y94 F95 E96 | T88-E92 PolarHBondContact O-N 3.22Å; T88-E92 VanDerWaalsContact O-N 3.14Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.01Å; E92-Y94 VanDerWaalsContact C-N 3.35Å; E92-Y94 PolarHBondContact O-N 3.03Å; E92-F95 WeakPolarHBondContact O-CB 3.12Å; E92-F95 PolarHBondContact O-N 3.46Å; E92-F95 VanDerWaalsContact O-N 3.13Å; E92-E96 PolarHBondContact O-N 2.74Å |
| 93 | K | 73.2 | Confident | 68.6 | Low | 148 Ų | 148 | 118.2 Ų | 118.2 | 64% | 0.643 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62 | -39.6 | 178.4 | -169.9 | 177.2 | -178 | -179.4 | 0 | 112.9 | K89 Y90 T97 | K89-K93 PolarHBondContact O-N 2.99Å; Y90-K93 PolarHBondContact O-N 3.3Å; K93-T97 PolarHBondContact O-N 3.41Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 2.86Å |
| 94 | Y | 72.8 | Confident | 69.6 | Low | 154 Ų | 154 | 118.5 Ų | 118.5 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -39.3 | 175.1 | -75.5 | -68.7 | 0 | 0 | 0 | 111.7 | Y90 R91 E92 T97 I98 | Y90-Y94 HydrophobicContact CD1-CE2 4.32Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.28Å; Y90-Y94 PolarHBondContact O-N 3.44Å; Y90-Y94 VanDerWaalsContact O-N 3.15Å; R91-Y94 PolarHBondContact O-N 3.33Å; E92-Y94 VanDerWaalsContact C-N 3.35Å; E92-Y94 PolarHBondContact O-N 3.03Å; Y94-T97 PolarHBondContact O-N 3.13Å; Y94-I98 VanDerWaalsContact O-CG1 3.27Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 3.49Å |
| 95 | F | 75.3 | Confident | 70.5 | Confident | 142 Ų | 142 | 115 Ų | 115 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.6 | -45.2 | 178.2 | -174 | -99.8 | 0 | 0 | 0 | 111.9 | R91 E92 T97 I98 L99 | R91-F95 WeakPolarHBondContact O-CB 3.39Å; R91-F95 PolarHBondContact O-N 3.09Å; E92-F95 WeakPolarHBondContact O-CB 3.12Å; E92-F95 PolarHBondContact O-N 3.46Å; E92-F95 VanDerWaalsContact O-N 3.13Å; F95-T97 VanDerWaalsContact C-N 3.33Å; F95-T97 PolarHBondContact O-N 3.27Å; F95-I98 PolarHBondContact O-N 3.41Å; F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 2.89Å |
| 96 | E | 75.8 | Confident | 71.6 | Confident | 127 Ų | 127 | 116 Ų | 116 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.5 | -41.9 | 174.6 | -70.7 | -176.4 | 164.1 | 0 | 0 | 112 | E92 I98 L99 L100 | E92-E96 PolarHBondContact O-N 2.74Å; E96-I98 PolarHBondContact O-N 2.86Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-L100 WeakPolarHBondContact O-CB 3.33Å; E96-L100 WeakPolarHBondContact O-CG 3.47Å; E96-L100 PolarHBondContact O-N 2.94Å |
| 97 | T | 79.2 | Confident | 72.4 | Confident | 83 Ų | 83 | 121.7 Ų | 121.7 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -42.3 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | K93 Y94 F95 L100 L101 | K93-T97 PolarHBondContact O-N 3.41Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 2.86Å; Y94-T97 PolarHBondContact O-N 3.13Å; F95-T97 VanDerWaalsContact C-N 3.33Å; F95-T97 PolarHBondContact O-N 3.27Å; T97-L100 PolarHBondContact O-N 2.96Å; T97-L101 WeakPolarHBondContact O-CB 3.45Å; T97-L101 PolarHBondContact O-N 2.9Å |
| 98 | I | 76 | Confident | 73.3 | Confident | 114 Ų | 114 | 120.4 Ų | 120.4 | 59% | 0.585 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -41.4 | 176.5 | -68.9 | 165.8 | 0 | 0 | 0 | 110.7 | Y94 F95 E96 L101 N102 | Y94-I98 VanDerWaalsContact O-CG1 3.27Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 3.49Å; F95-I98 PolarHBondContact O-N 3.41Å; E96-I98 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 3.38Å; I98-N102 WeakPolarHBondContact O-CB 3.48Å; I98-N102 PolarHBondContact O-N 2.91Å |
| 99 | L | 76.1 | Confident | 73.8 | Confident | 106 Ų | 106 | 119.7 Ų | 119.7 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62 | -47 | 176.8 | -169.9 | 102.7 | 0 | 0 | 0 | 111.3 | F95 E96 N102 A103 | F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 2.89Å; E96-L99 PolarHBondContact O-N 3.41Å; L99-N102 PolarHBondContact O-N 2.95Å; L99-A103 WeakPolarHBondContact O-CB 3.07Å; L99-A103 PolarHBondContact O-N 3.21Å |
| 100 | L | 80 | Confident | 74.5 | Confident | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 177.4 | -73.2 | 172.7 | 0 | 0 | 0 | 112 | E96 T97 A103 L104 | E96-L100 WeakPolarHBondContact O-CB 3.33Å; E96-L100 WeakPolarHBondContact O-CG 3.47Å; E96-L100 PolarHBondContact O-N 2.94Å; T97-L100 PolarHBondContact O-N 2.96Å; L100-A103 PolarHBondContact O-N 3.35Å; L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 PolarHBondContact O-N 2.67Å |
| 101 | L | 79.7 | Confident | 75.5 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -42.1 | 177.2 | -175.6 | 64.9 | 0 | 0 | 0 | 111.7 | T97 I98 L104 C105 | T97-L101 WeakPolarHBondContact O-CB 3.45Å; T97-L101 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 3.38Å; L101-L104 PolarHBondContact O-N 3.49Å; L101-C105 VanDerWaalsContact O-CB 3.28Å; L101-C105 WeakPolarHBondContact O-CB 3.24Å; L101-C105 PolarHBondContact O-N 3.39Å |
| 102 | N | 78.3 | Confident | 76.1 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.3 | -167.2 | 31.9 | 0 | 0 | 0 | 111.4 | I98 L99 C105 F106 | I98-N102 WeakPolarHBondContact O-CB 3.48Å; I98-N102 PolarHBondContact O-N 2.91Å; L99-N102 PolarHBondContact O-N 2.95Å; N102-C105 PolarHBondContact O-N 3.39Å; N102-F106 WeakPolarHBondContact O-CB 3.44Å; N102-F106 PolarHBondContact O-N 3.45Å |
| 103 | A | 74 | Confident | 76.4 | Confident | 47 Ų | 47 | 107.7 Ų | 107.7 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L99 L100 F106 R107 | L99-A103 WeakPolarHBondContact O-CB 3.07Å; L99-A103 PolarHBondContact O-N 3.21Å; L100-A103 PolarHBondContact O-N 3.35Å; A103-F106 PolarHBondContact O-N 3.43Å; A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 2.78Å |
| 104 | L | 76.7 | Confident | 76.5 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 174.7 | -175.4 | 68.4 | 0 | 0 | 0 | 110.9 | L100 L101 F106 R107 V108 | L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 PolarHBondContact O-N 2.67Å; L101-L104 PolarHBondContact O-N 3.49Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 3.23Å; L104-R107 PolarHBondContact O-N 2.96Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.45Å |
| 105 | C | 73.4 | Confident | 76.9 | Confident | 55 Ų | 55 | 100 Ų | 100 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | L101 N102 V108 K109 | L101-C105 VanDerWaalsContact O-CB 3.28Å; L101-C105 WeakPolarHBondContact O-CB 3.24Å; L101-C105 PolarHBondContact O-N 3.39Å; N102-C105 PolarHBondContact O-N 3.39Å; C105-V108 PolarHBondContact O-N 2.96Å; C105-K109 WeakPolarHBondContact O-CG 3.15Å; C105-K109 PolarHBondContact O-N 3.17Å |
| 106 | F | 75.3 | Confident | 77.2 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 175.4 | -176.5 | -108.3 | 0 | 0 | 0 | 112.3 | N102 A103 L104 K109 I110 | N102-F106 WeakPolarHBondContact O-CB 3.44Å; N102-F106 PolarHBondContact O-N 3.45Å; A103-F106 PolarHBondContact O-N 3.43Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 3.23Å; F106-K109 PolarHBondContact O-N 3.13Å; F106-I110 HydrophobicContact CD1-CD1 3.67Å; F106-I110 HydrophobicContact CE1-CD1 3.22Å; F106-I110 HydrophobicContact CE1-CG1 4.29Å; F106-I110 HydrophobicContact CE2-CD1 4.31Å; F106-I110 HydrophobicContact CG-CD1 4.39Å; F106-I110 HydrophobicContact CZ-CD1 3.58Å; F106-I110 HydrophobicContact CZ-CG1 4.31Å; F106-I110 WeakPolarHBondContact O-CG1 3.25Å; F106-I110 PolarHBondContact O-N 3.28Å |
| 107 | R | 75.8 | Confident | 77.6 | Confident | 188 Ų | 188 | 95.7 Ų | 95.7 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -74 | -177.2 | 178.4 | -164.5 | 0.6 | 112.6 | A103 L104 K109 I110 L111 | A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 2.78Å; L104-R107 PolarHBondContact O-N 2.96Å; R107-K109 VanDerWaalsContact C-N 3.3Å; R107-K109 PolarHBondContact O-N 3.5Å; R107-I110 PolarHBondContact O-N 3.32Å; R107-L111 PolarHBondContact O-N 3.31Å |
| 108 | V | 77.5 | Confident | 77.9 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L104 C105 L111 L112 | L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.45Å; C105-V108 PolarHBondContact O-N 2.96Å; V108-L111 PolarHBondContact O-N 3.35Å; V108-L112 WeakPolarHBondContact O-CB 2.94Å; V108-L112 PolarHBondContact O-N 2.95Å |
| 109 | K | 71.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 92.5 Ų | 92.5 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.3 | -73.8 | 176.6 | 179.6 | 178.9 | 0 | 112.7 | F17 C105 F106 R107 L111 L112 C113 | F17-K109 HydrophobicContact CD1-CD 4.08Å; F17-K109 HydrophobicContact CE1-CD 4.07Å; F17-K109 HydrophobicContact CE1-CG 4.46Å; C105-K109 WeakPolarHBondContact O-CG 3.15Å; C105-K109 PolarHBondContact O-N 3.17Å; F106-K109 PolarHBondContact O-N 3.13Å; R107-K109 VanDerWaalsContact C-N 3.3Å; R107-K109 PolarHBondContact O-N 3.5Å; K109-L111 VanDerWaalsContact C-N 3.35Å; K109-L112 PolarHBondContact O-N 3.43Å; K109-C113 WeakPolarHBondContact O-CB 3.18Å; K109-C113 PolarHBondContact O-N 3.26Å |
| 110 | I | 76.3 | Confident | 78.4 | Confident | 91 Ų | 91 | 91.5 Ų | 91.5 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.3 | -70.8 | 170 | 0 | 0 | 0 | 110.4 | F106 R107 L112 C113 A114 | F106-I110 HydrophobicContact CD1-CD1 3.67Å; F106-I110 HydrophobicContact CE1-CD1 3.22Å; F106-I110 HydrophobicContact CE1-CG1 4.29Å; F106-I110 HydrophobicContact CE2-CD1 4.31Å; F106-I110 HydrophobicContact CG-CD1 4.39Å; F106-I110 HydrophobicContact CZ-CD1 3.58Å; F106-I110 HydrophobicContact CZ-CG1 4.31Å; F106-I110 WeakPolarHBondContact O-CG1 3.25Å; F106-I110 PolarHBondContact O-N 3.28Å; R107-I110 PolarHBondContact O-N 3.32Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.97Å; I110-C113 WeakPolarHBondContact O-CB 2.97Å; I110-C113 PolarHBondContact O-N 2.91Å; I110-A114 PolarHBondContact O-N 3.09Å |
| 111 | L | 79.5 | Confident | 78.6 | Confident | 109 Ų | 109 | 90 Ų | 90 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 178.4 | -176.2 | 66.4 | 0 | 0 | 0 | 111.3 | R107 V108 K109 C113 A114 I115 | R107-L111 PolarHBondContact O-N 3.31Å; V108-L111 PolarHBondContact O-N 3.35Å; K109-L111 VanDerWaalsContact C-N 3.35Å; L111-C113 VanDerWaalsContact C-N 3.35Å; L111-C113 PolarHBondContact O-N 3.49Å; L111-A114 PolarHBondContact O-N 3.13Å; L111-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.21Å; L111-I115 PolarHBondContact O-N 3.31Å |
| 112 | L | 80.1 | Confident | 78.8 | Confident | 97 Ų | 97 | 90.8 Ų | 90.8 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.3 | -172.4 | 66.3 | 0 | 0 | 0 | 112 | V108 K109 I110 A114 I115 I116 | V108-L112 WeakPolarHBondContact O-CB 2.94Å; V108-L112 PolarHBondContact O-N 2.95Å; K109-L112 PolarHBondContact O-N 3.43Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.97Å; L112-A114 VanDerWaalsContact C-N 3.35Å; L112-A114 PolarHBondContact O-N 2.92Å; L112-I115 PolarHBondContact O-N 3.41Å; L112-I116 HydrophobicContact CG-CD1 4.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.03Å; L112-I116 PolarHBondContact O-N 3.33Å |
| 113 | C | 77 | Confident | 78.7 | Confident | 84 Ų | 84 | 92 Ų | 92 | 57% | 0.568 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | K109 I110 L111 I116 L117 | K109-C113 WeakPolarHBondContact O-CB 3.18Å; K109-C113 PolarHBondContact O-N 3.26Å; I110-C113 WeakPolarHBondContact O-CB 2.97Å; I110-C113 PolarHBondContact O-N 2.91Å; L111-C113 VanDerWaalsContact C-N 3.35Å; L111-C113 PolarHBondContact O-N 3.49Å; C113-I116 PolarHBondContact O-N 3.15Å; C113-L117 WeakPolarHBondContact O-CB 3.09Å; C113-L117 PolarHBondContact O-N 3.38Å |
| 114 | A | 76.3 | Confident | 78.7 | Confident | 44 Ų | 44 | 92.1 Ų | 92.1 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I110 L111 L112 L117 L118 | I110-A114 PolarHBondContact O-N 3.09Å; L111-A114 PolarHBondContact O-N 3.13Å; L112-A114 VanDerWaalsContact C-N 3.35Å; L112-A114 PolarHBondContact O-N 2.92Å; A114-L117 PolarHBondContact O-N 3.44Å; A114-L118 WeakPolarHBondContact O-CG 3.27Å; A114-L118 PolarHBondContact O-N 3.31Å |
| 115 | I | 82.1 | Confident | 78.8 | Confident | 98 Ų | 98 | 90.7 Ų | 90.7 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.9 | -67.7 | 165.1 | 0 | 0 | 0 | 110.9 | L111 L112 L117 L118 G119 | L111-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.21Å; L111-I115 PolarHBondContact O-N 3.31Å; L112-I115 PolarHBondContact O-N 3.41Å; I115-L117 VanDerWaalsContact C-N 3.33Å; I115-L117 PolarHBondContact O-N 2.82Å; I115-L118 PolarHBondContact O-N 3.32Å; I115-G119 PolarHBondContact O-N 3.06Å |
| 116 | I | 80.3 | Confident | 79 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 177.1 | -66.4 | 166.3 | 0 | 0 | 0 | 110.6 | L112 C113 G119 F120 | L112-I116 HydrophobicContact CG-CD1 4.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.03Å; L112-I116 PolarHBondContact O-N 3.33Å; C113-I116 PolarHBondContact O-N 3.15Å; I116-G119 PolarHBondContact O-N 3.32Å; I116-F120 PolarHBondContact O-N 3.31Å |
| 117 | L | 84 | Confident | 78.3 | Confident | 95 Ų | 95 | 92.7 Ų | 92.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.4 | -172.9 | 68.7 | 0 | 0 | 0 | 111.7 | C113 A114 I115 F120 I121 | C113-L117 WeakPolarHBondContact O-CB 3.09Å; C113-L117 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 3.44Å; I115-L117 VanDerWaalsContact C-N 3.33Å; I115-L117 PolarHBondContact O-N 2.82Å; L117-F120 PolarHBondContact O-N 3.43Å; L117-I121 HydrophobicContact CG-CD1 4.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.24Å; L117-I121 PolarHBondContact O-N 3.14Å |
| 118 | L | 85.1 | Confident | 77.7 | Confident | 106 Ų | 106 | 89.4 Ų | 89.4 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 175.2 | -74.9 | 169.5 | 0 | 0 | 0 | 111.8 | A114 I115 F120 I121 Q122 | A114-L118 WeakPolarHBondContact O-CG 3.27Å; A114-L118 PolarHBondContact O-N 3.31Å; I115-L118 PolarHBondContact O-N 3.32Å; L118-F120 VanDerWaalsContact C-N 3.3Å; L118-F120 PolarHBondContact O-N 3.13Å; L118-I121 PolarHBondContact O-N 3.4Å; L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 3.41Å |
| 119 | G | 81.8 | Confident | 76.5 | Confident | 24 Ų | 24 | 95.6 Ų | 95.6 | 25% | 0.247 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | I115 I116 N123 | I115-G119 PolarHBondContact O-N 3.06Å; I116-G119 PolarHBondContact O-N 3.32Å; G119-N123 WeakPolarHBondContact O-CB 3.43Å; G119-N123 PolarHBondContact O-N 3.48Å; G119-N123 PolarHBondContact O-ND2 3.46Å |
| 120 | F | 81 | Confident | 76.7 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 38% | 0.377 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 174.8 | -171.3 | -97.8 | 0 | 0 | 0 | 112.6 | I116 L117 L118 N123 S124 | I116-F120 PolarHBondContact O-N 3.31Å; L117-F120 PolarHBondContact O-N 3.43Å; L118-F120 VanDerWaalsContact C-N 3.3Å; L118-F120 PolarHBondContact O-N 3.13Å; F120-N123 PolarHBondContact O-N 3.18Å; F120-S124 WeakPolarHBondContact O-CB 3.24Å; F120-S124 PolarHBondContact O-N 3.49Å; F120-S124 PolarHBondContact O-OG 3.41Å |
| 121 | I | 83.8 | Confident | 76.7 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.9 | -66.7 | 164.5 | 0 | 0 | 0 | 109.8 | L117 L118 N123 S124 T125 | L117-I121 HydrophobicContact CG-CD1 4.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.24Å; L117-I121 PolarHBondContact O-N 3.14Å; L118-I121 PolarHBondContact O-N 3.4Å; I121-N123 PolarHBondContact O-N 2.86Å; I121-S124 PolarHBondContact O-N 3Å; I121-S124 VanDerWaalsContact O-N 3.16Å; I121-T125 PolarHBondContact O-N 3.41Å; I121-T125 PolarHBondContact O-OG1 3.11Å |
| 122 | Q | 84.4 | Confident | 76.6 | Confident | 130 Ų | 130 | 96.2 Ų | 96.2 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.3 | -47.3 | 177.6 | -73.8 | 179.9 | -36.4 | 0 | 0 | 112.1 | L118 S124 T125 I126 | L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 3.41Å; Q122-S124 VanDerWaalsContact C-N 3.3Å; Q122-S124 PolarHBondContact O-N 3.35Å; Q122-T125 PolarHBondContact O-N 3.12Å; Q122-I126 VanDerWaalsContact O-CG1 3.29Å; Q122-I126 WeakPolarHBondContact O-CG1 3.08Å; Q122-I126 PolarHBondContact O-N 3.31Å |
| 123 | N | 76.2 | Confident | 76.4 | Confident | 104 Ų | 104 | 96.1 Ų | 96.1 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -38.7 | 176.6 | -78.5 | -27.5 | 0 | 0 | 0 | 112.4 | G119 F120 I121 V127 | G119-N123 WeakPolarHBondContact O-CB 3.43Å; G119-N123 PolarHBondContact O-N 3.48Å; G119-N123 PolarHBondContact O-ND2 3.46Å; F120-N123 PolarHBondContact O-N 3.18Å; I121-N123 PolarHBondContact O-N 2.86Å; N123-V127 VanDerWaalsContact O-CG2 3.27Å; N123-V127 WeakPolarHBondContact O-CG2 3.4Å; N123-V127 PolarHBondContact O-N 3.49Å |
| 124 | S | 74.1 | Confident | 76.3 | Confident | 49 Ų | 49 | 96.9 Ų | 96.9 | 34% | 0.343 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | F120 I121 Q122 V127 C128 | F120-S124 WeakPolarHBondContact O-CB 3.24Å; F120-S124 PolarHBondContact O-N 3.49Å; F120-S124 PolarHBondContact O-OG 3.41Å; I121-S124 PolarHBondContact O-N 3Å; I121-S124 VanDerWaalsContact O-N 3.16Å; Q122-S124 VanDerWaalsContact C-N 3.3Å; Q122-S124 PolarHBondContact O-N 3.35Å; S124-V127 PolarHBondContact O-N 3.43Å; S124-C128 PolarHBondContact O-N 3.21Å; S124-C128 PolarHBondContact O-SG 3.06Å; S124-C128 VanDerWaalsContact O-SG 3.35Å |
| 125 | T | 79 | Confident | 76.3 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | I121 Q122 V127 C128 Q129 | I121-T125 PolarHBondContact O-N 3.41Å; I121-T125 PolarHBondContact O-OG1 3.11Å; Q122-T125 PolarHBondContact O-N 3.12Å; T125-V127 VanDerWaalsContact C-N 3.27Å; T125-V127 PolarHBondContact O-N 3.47Å; T125-C128 PolarHBondContact O-N 2.98Å; T125-Q129 PolarHBondContact O-N 2.79Å |
| 126 | I | 77.4 | Confident | 75.9 | Confident | 110 Ų | 110 | 100.6 Ų | 100.6 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -35.8 | 178 | -68 | 162.5 | 0 | 0 | 0 | 111.3 | Q122 C128 | Q122-I126 VanDerWaalsContact O-CG1 3.29Å; Q122-I126 WeakPolarHBondContact O-CG1 3.08Å; Q122-I126 PolarHBondContact O-N 3.31Å; I126-C128 VanDerWaalsContact C-N 3.34Å |
| 127 | V | 61.1 | Low | 75.6 | Confident | 119 Ų | 119 | 102 Ų | 102 | 72% | 0.721 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.7 | -21.1 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | N123 S124 T125 Q129 | N123-V127 VanDerWaalsContact O-CG2 3.27Å; N123-V127 WeakPolarHBondContact O-CG2 3.4Å; N123-V127 PolarHBondContact O-N 3.49Å; S124-V127 PolarHBondContact O-N 3.43Å; T125-V127 VanDerWaalsContact C-N 3.27Å; T125-V127 PolarHBondContact O-N 3.47Å; V127-Q129 VanDerWaalsContact C-N 3.35Å |
| 128 | C | 62.7 | Low | 74.9 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -1.8 | 177.2 | -70.6 | 0 | 0 | 0 | 0 | 113.8 | S124 T125 I126 | S124-C128 PolarHBondContact O-N 3.21Å; S124-C128 PolarHBondContact O-SG 3.06Å; S124-C128 VanDerWaalsContact O-SG 3.35Å; T125-C128 PolarHBondContact O-N 2.98Å; I126-C128 VanDerWaalsContact C-N 3.34Å |
| 129 | Q | 51.9 | Low | 74 | Confident | 219 Ų | 219 | 102.3 Ų | 102.3 | 100% | 1.023 | 56% | 0.561 | S | S | * | * | trans | -98.1 | 0 | 168.6 | -67.7 | -170.8 | -24.8 | 0 | 0 | 110 | T125 V127 | T125-Q129 PolarHBondContact O-N 2.79Å; V127-Q129 VanDerWaalsContact C-N 3.35Å |
Retrieved 129 of 129 residues in 20.3 ms
(Link to these results)