| 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 | 39.8 | Very low | 44.5 | Very low | 240 Ų | 240 | 135.6 Ų | 135.6 | 100% | 1.182 | 74% | 0.735 | S | S | * | * | 0 | 84.5 | 0 | -163 | 161.7 | -166.5 | 0 | 0 | 105.7 | P3 | M1-P3 WeakPolarHBondContact O-CD 2.99Š| |||
| 2 | E | 34.5 | Very low | 44.9 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 95% | 0.949 | 71% | 0.71 | S | S | * | * | trans | -111.3 | 109.7 | 180 | -89.8 | -155.3 | 85.8 | 0 | 0 | 108.9 | ||||
| 3 | P | 44.5 | Very low | 44.7 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | trans | -112.3 | 157.8 | 157.8 | 34.6 | -22.2 | 0 | 0 | 0 | 110.3 | M1 | M1-P3 WeakPolarHBondContact O-CD 2.99Š| ||
| 4 | S | 45.7 | Very low | 44.8 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | 94.6 | 61 | 157.5 | -139.4 | 0 | 0 | 0 | 0 | 119 | D7 | S4-D7 PolarHBondContact OG-OD2 3.26Š| ||
| 5 | H | 49.3 | Very low | 45 | Very low | 183 Ų | 183 | 113.9 Ų | 113.9 | 85% | 0.847 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -125.1 | -9.8 | 153.3 | -119.6 | -114.3 | 0 | 0 | 0 | 113.7 | ||
| 6 | K | 48.9 | Very low | 45.1 | Very low | 172 Ų | 172 | 110.2 Ų | 110.2 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -89.2 | -18.5 | -177.2 | -156.4 | 162.5 | -177.2 | 162.8 | 0 | 113.7 | T10 | K6-T10 PolarHBondContact O-OG1 3.39Å |
| 7 | D | 46.1 | Very low | 45.1 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 57% | 0.572 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.2 | -32.6 | -176.7 | -53.3 | -54.8 | 0 | 0 | 0 | 112.5 | S4 A11 | S4-D7 PolarHBondContact OG-OD2 3.26Å; D7-A11 WeakPolarHBondContact O-CB 3.5Å; D7-A11 PolarHBondContact O-N 3.46Å |
| 8 | A | 45.7 | Very low | 45.2 | Very low | 75 Ų | 75 | 109.1 Ų | 109.1 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.7 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A12 | A8-A12 PolarHBondContact O-N 3Å; A8-A12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 44.8 | Very low | 45.4 | Very low | 158 Ų | 158 | 106.9 Ų | 106.9 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.1 | -37.7 | 177.7 | -166.9 | 177.1 | 104.1 | 0 | 0 | 111.6 | A12 A13 | E9-A12 PolarHBondContact O-N 2.86Å; E9-A13 PolarHBondContact O-N 3.4Å; E9-A13 VanDerWaalsContact O-N 3.07Å |
| 10 | T | 44.9 | Very low | 45.2 | Very low | 91 Ų | 91 | 105.5 Ų | 105.5 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70 | -37.6 | 177.5 | -53 | 0 | 0 | 0 | 0 | 111.9 | K6 A14 | K6-T10 PolarHBondContact O-OG1 3.39Å; T10-A14 WeakPolarHBondContact O-CB 3.28Å; T10-A14 PolarHBondContact O-N 2.78Å; T10-A14 VanDerWaalsContact O-N 3.09Å |
| 11 | A | 45.3 | Very low | 45.3 | Very low | 65 Ų | 65 | 105.9 Ų | 105.9 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.2 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D7 A15 | D7-A11 WeakPolarHBondContact O-CB 3.5Å; D7-A11 PolarHBondContact O-N 3.46Å; A11-A15 PolarHBondContact O-N 3.06Å; A11-A15 VanDerWaalsContact O-N 3.17Å |
| 12 | A | 49.4 | Very low | 45.3 | Very low | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.9 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A8 E9 A15 A16 | A8-A12 PolarHBondContact O-N 3Å; A8-A12 VanDerWaalsContact O-N 3.16Å; E9-A12 PolarHBondContact O-N 2.86Å; A12-A15 PolarHBondContact O-N 2.85Å; A12-A16 PolarHBondContact O-N 3.15Å; A12-A16 VanDerWaalsContact O-N 3.14Å |
| 13 | A | 42.8 | Very low | 45.5 | Very low | 57 Ų | 57 | 100.3 Ų | 100.3 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.2 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E9 A15 A16 V17 | E9-A13 PolarHBondContact O-N 3.4Å; E9-A13 VanDerWaalsContact O-N 3.07Å; A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3.03Å; A13-V17 WeakPolarHBondContact O-CG2 3.5Å; A13-V17 PolarHBondContact O-N 3.42Å; A13-V17 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 46 | Very low | 45.1 | Very low | 62 Ų | 62 | 97.7 Ų | 97.7 | 51% | 0.512 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T10 A18 | T10-A14 WeakPolarHBondContact O-CB 3.28Å; T10-A14 PolarHBondContact O-N 2.78Å; T10-A14 VanDerWaalsContact O-N 3.09Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.47Å; A14-A18 VanDerWaalsContact O-N 3.12Å |
| 15 | A | 48 | Very low | 44.5 | Very low | 45 Ų | 45 | 98.3 Ų | 98.3 | 37% | 0.372 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.9 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A11 A12 A13 A19 | A11-A15 PolarHBondContact O-N 3.06Å; A11-A15 VanDerWaalsContact O-N 3.17Å; A12-A15 PolarHBondContact O-N 2.85Å; A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.45Å; A15-A19 PolarHBondContact O-N 3.2Å |
| 16 | A | 46.1 | Very low | 43.8 | Very low | 54 Ų | 54 | 94.9 Ų | 94.9 | 45% | 0.446 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.1 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A12 A13 A18 A19 A20 | A12-A16 PolarHBondContact O-N 3.15Å; A12-A16 VanDerWaalsContact O-N 3.14Å; A13-A16 PolarHBondContact O-N 3.03Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 3.36Å; A16-A19 PolarHBondContact O-N 3.05Å; A16-A20 PolarHBondContact O-N 3.11Å |
| 17 | V | 45 | Very low | 43 | Very low | 115 Ų | 115 | 92.4 Ų | 92.4 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -33.4 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | A13 A19 | A13-V17 WeakPolarHBondContact O-CG2 3.5Å; A13-V17 PolarHBondContact O-N 3.42Å; A13-V17 VanDerWaalsContact O-N 3.1Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 2.91Å |
| 18 | A | 47.7 | Very low | 42.7 | Very low | 85 Ų | 85 | 91.8 Ų | 91.8 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71 | -24.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A14 A16 | A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.47Å; A14-A18 VanDerWaalsContact O-N 3.12Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 3.36Å |
| 19 | A | 48.6 | Very low | 42.3 | Very low | 69 Ų | 69 | 94.1 Ų | 94.1 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -88.7 | -11.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A15 A16 V17 | A15-A19 PolarHBondContact O-N 3.2Å; A16-A19 PolarHBondContact O-N 3.05Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 2.91Å |
| 20 | A | 40 | Very low | 41.9 | Very low | 77 Ų | 77 | 89.7 Ų | 89.7 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | trans | -103.9 | 19.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A16 P22 | A16-A20 PolarHBondContact O-N 3.11Å; A20-P22 WeakPolarHBondContact O-CD 3.31Å | ||
| 21 | D | 47.7 | Very low | 41.5 | Very low | 115 Ų | 115 | 91.6 Ų | 91.6 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | trans | -103.3 | 100.6 | 176.7 | -171.5 | 44.8 | 0 | 0 | 0 | 113 | R23 | D21-R23 VanDerWaalsContact C-N 3.3Å; D21-R23 PolarHBondContact O-N 2.81Å | ||
| 22 | P | 41.2 | Very low | 41.1 | Very low | 108 Ų | 108 | 95.7 Ų | 95.7 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -91.6 | 51 | 176.3 | 38.7 | -35.5 | 0 | 0 | 0 | 111 | A20 | A20-P22 WeakPolarHBondContact O-CD 3.31Š| ||
| 23 | R | 38.3 | Very low | 41 | Very low | 218 Ų | 218 | 97.9 Ų | 97.9 | 82% | 0.823 | 67% | 0.67 | S | S | * | * | trans | -128.1 | 87.1 | 178.8 | -73.4 | -175.7 | 176.5 | 175.7 | 1.6 | 111.8 | D21 | D21-R23 VanDerWaalsContact C-N 3.3Å; D21-R23 PolarHBondContact O-N 2.81Å | ||
| 24 | G | 34.7 | Very low | 40.8 | Very low | 55 Ų | 55 | 104.4 Ų | 104.4 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -168.1 | 1.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | R43 | G24-R43 PolarHBondContact O-NH2 2.93Å; G24-R43 VanDerWaalsContact O-NH2 3.16Å |
| 25 | A | 33.5 | Very low | 40.6 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | -137.7 | 73.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 26 | S | 34.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | -147.5 | 90.4 | 151.2 | -159.4 | 0 | 0 | 0 | 0 | 108.6 | S28 | S26-S28 PolarHBondContact O-N 2.75Š| ||
| 27 | S | 33 | Very low | 40.4 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -84 | 92.9 | 160.5 | -175.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 28 | S | 40.1 | Very low | 40.1 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -100.5 | 106.2 | 168.2 | 130 | 0 | 0 | 0 | 0 | 106.8 | S26 G30 | S26-S28 PolarHBondContact O-N 2.75Å; S28-G30 PolarHBondContact O-N 3.41Å | ||
| 29 | S | 35.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 111.1 | 172.3 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 30 | G | 37.2 | Very low | 39.7 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | -130.6 | 118.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | S28 | S28-G30 PolarHBondContact O-N 3.41Š| ||
| 31 | V | 37 | Very low | 40.1 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 80.6 | 107.4 | -175.8 | 173.6 | 0 | 0 | 0 | 0 | 115.4 | V33 | V31-V33 VanDerWaalsContact C-N 3.31Å; V31-V33 HydrophobicContact CG1-CG2 3.76Å; V31-V33 PolarHBondContact O-N 2.87Å |
| 32 | V | 36.5 | Very low | 39.9 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 92% | 0.915 | 76% | 0.755 | S | S | * | * | trans | -63.5 | 85.7 | 168.7 | -166 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 33 | V | 47.2 | Very low | 40.2 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 60% | 0.6 | 75% | 0.748 | S | S | * | * | trans | -131.3 | 107.9 | 157.3 | -173.4 | 0 | 0 | 0 | 0 | 106.9 | V31 V35 | V31-V33 VanDerWaalsContact C-N 3.31Å; V31-V33 HydrophobicContact CG1-CG2 3.76Å; V31-V33 PolarHBondContact O-N 2.87Å; V33-V35 HydrophobicContact CB-CG2 4.14Å; V33-V35 HydrophobicContact CG1-CG2 3.36Å; V33-V35 PolarHBondContact O-N 3.42Å | ||
| 34 | Q | 38.5 | Very low | 40.4 | Very low | 194 Ų | 194 | 127.2 Ų | 127.2 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | -69.6 | 69.3 | 171.2 | -156.8 | -157.1 | 56.3 | 0 | 0 | 108.9 | R36 | Q34-R36 PolarHBondContact O-N 3.04Å; Q34-R36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | V | 42.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | trans | -79.5 | 97.8 | 167.5 | -172.7 | 0 | 0 | 0 | 0 | 105.5 | V33 E37 | V33-V35 HydrophobicContact CB-CG2 4.14Å; V33-V35 HydrophobicContact CG1-CG2 3.36Å; V33-V35 PolarHBondContact O-N 3.42Å; V35-E37 PolarHBondContact O-N 3.27Å | ||
| 36 | R | 41.9 | Very low | 41 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -14.8 | 96 | 167.6 | -177.4 | 179 | -175.8 | 173.9 | 2.9 | 111.1 | Q34 K38 | Q34-R36 PolarHBondContact O-N 3.04Å; Q34-R36 VanDerWaalsContact O-N 3.15Å; R36-K38 VanDerWaalsContact C-N 3.26Å; R36-K38 PolarHBondContact O-N 3.22Å | ||
| 37 | E | 48.4 | Very low | 41.3 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 96.2 | 173.6 | -74.1 | -147.9 | 151.2 | 0 | 0 | 106.9 | V35 K39 | V35-E37 PolarHBondContact O-N 3.27Å; E37-K39 PolarHBondContact O-N 2.97Å | ||
| 38 | K | 37.4 | Very low | 41.6 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -64.9 | 95.8 | 160.3 | -80.7 | -152.5 | 177.4 | -168.9 | 0 | 104.9 | R36 G40 | R36-K38 VanDerWaalsContact C-N 3.26Å; R36-K38 PolarHBondContact O-N 3.22Å; K38-G40 VanDerWaalsContact C-N 3.34Å; K38-G40 PolarHBondContact O-N 3.47Å | ||
| 39 | K | 42.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | trans | -39.7 | 102.1 | 164.6 | -102.3 | 174.4 | 173.5 | 174.5 | 0 | 107.8 | E37 | E37-K39 PolarHBondContact O-N 2.97Š| ||
| 40 | G | 45.8 | Very low | 42.8 | Very low | 38 Ų | 38 | 127.3 Ų | 127.3 | 39% | 0.392 | 69% | 0.691 | S | S | . | * | trans | -66.3 | 132.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | K38 L42 R43 | K38-G40 VanDerWaalsContact C-N 3.34Å; K38-G40 PolarHBondContact O-N 3.47Å; G40-L42 PolarHBondContact O-N 3.22Å; G40-R43 PolarHBondContact O-N 3.47Å | ||
| 41 | P | 50 | Low | 43.8 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -59.8 | -13.1 | 174.1 | 23.8 | -31.8 | 0 | 0 | 0 | 112.7 | R43 A44 | P41-R43 VanDerWaalsContact C-N 3.3Å; P41-R43 PolarHBondContact O-N 2.89Å; P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.04Å; P41-A44 VanDerWaalsContact O-N 3.14Å |
| 42 | L | 42.8 | Very low | 45 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -64.7 | -26.8 | 171.1 | -77.9 | 160.3 | 0 | 0 | 0 | 114 | G40 A44 | G40-L42 PolarHBondContact O-N 3.22Å; L42-A44 VanDerWaalsContact C-N 3.33Å |
| 43 | R | 47.8 | Very low | 46.3 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -81.4 | -10 | 172.8 | -113.9 | -171.5 | 169.2 | -98 | 6.8 | 112.8 | G24 G40 P41 I46 Y48 | G24-R43 PolarHBondContact O-NH2 2.93Å; G24-R43 VanDerWaalsContact O-NH2 3.16Å; G40-R43 PolarHBondContact O-N 3.47Å; P41-R43 VanDerWaalsContact C-N 3.3Å; P41-R43 PolarHBondContact O-N 2.89Å; R43-I46 HydrophobicContact CG-CD1 4.3Å; R43-Y48 WeakPolarHBondContact CG-OH 3.33Å; R43-Y48 PolarHBondContact NH1-OH 3.43Å; R43-Y48 PolarHBondContact O-OH 3.16Å |
| 44 | A | 42.5 | Very low | 47.2 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -86.1 | -14 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | P41 L42 | P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.04Å; P41-A44 VanDerWaalsContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.33Å |
| 45 | A | 39.6 | Very low | 48.7 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -95.6 | 2.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P47 | A45-P47 VanDerWaalsContact O-CD 3.25Å; A45-P47 WeakPolarHBondContact O-CD 3.14Å |
| 46 | I | 39.9 | Very low | 50 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | trans | -92.2 | 110.3 | 179.8 | -55.6 | 172.9 | 0 | 0 | 0 | 107.1 | R43 Y48 | R43-I46 HydrophobicContact CG-CD1 4.3Å; I46-Y48 HydrophobicContact CB-CD1 4.26Å; I46-Y48 HydrophobicContact CB-CE1 3.69Å; I46-Y48 HydrophobicContact CB-CE2 4.28Å; I46-Y48 HydrophobicContact CD1-CE1 4.32Å; I46-Y48 HydrophobicContact CG2-CD1 3.75Å; I46-Y48 HydrophobicContact CG2-CE1 3.55Å; I46-Y48 HydrophobicContact CG2-CG 4.47Å; I46-Y48 WeakPolarHBondContact O-CD2 3.1Å; I46-Y48 WeakPolarHBondContact O-CE2 3.38Å; I46-Y48 PolarHBondContact O-N 2.84Å | ||
| 47 | P | 41.3 | Very low | 51.5 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | trans | -70.6 | 88.3 | 171.7 | 29 | -31.3 | 0 | 0 | 0 | 108.1 | A45 M49 | A45-P47 VanDerWaalsContact O-CD 3.25Å; A45-P47 WeakPolarHBondContact O-CD 3.14Å; P47-M49 HydrophobicContact CB-CE 3.95Å; P47-M49 PolarHBondContact O-N 3.41Å | ||
| 48 | Y | 40.7 | Very low | 52.4 | Low | 134 Ų | 134 | 95.9 Ų | 95.9 | 53% | 0.525 | 53% | 0.533 | S | S | . | . | trans | -66.9 | 102.9 | 163.2 | -33.4 | -83.5 | 0 | 0 | 0 | 106.2 | R43 I46 | R43-Y48 WeakPolarHBondContact CG-OH 3.33Å; R43-Y48 PolarHBondContact NH1-OH 3.43Å; R43-Y48 PolarHBondContact O-OH 3.16Å; I46-Y48 HydrophobicContact CB-CD1 4.26Å; I46-Y48 HydrophobicContact CB-CE1 3.69Å; I46-Y48 HydrophobicContact CB-CE2 4.28Å; I46-Y48 HydrophobicContact CD1-CE1 4.32Å; I46-Y48 HydrophobicContact CG2-CD1 3.75Å; I46-Y48 HydrophobicContact CG2-CE1 3.55Å; I46-Y48 HydrophobicContact CG2-CG 4.47Å; I46-Y48 WeakPolarHBondContact O-CD2 3.1Å; I46-Y48 WeakPolarHBondContact O-CE2 3.38Å; I46-Y48 PolarHBondContact O-N 2.84Å | ||
| 49 | M | 44.3 | Very low | 54 | Low | 120 Ų | 120 | 91 Ų | 91 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | trans | -115.1 | 143.4 | 171 | -68.1 | -156.8 | -125.5 | 0 | 0 | 109.2 | P47 V53 | P47-M49 HydrophobicContact CB-CE 3.95Å; P47-M49 PolarHBondContact O-N 3.41Å; M49-V53 HydrophobicContact CB-CB 4.3Å; M49-V53 HydrophobicContact CB-CG1 4.13Å; M49-V53 HydrophobicContact SD-CG1 3.98Å | ||
| 50 | P | 54.7 | Low | 55.1 | Low | 86 Ų | 86 | 86.5 Ų | 86.5 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | trans | -59.2 | 145.7 | -172.9 | 24.8 | -33.8 | 0 | 0 | 0 | 110.1 | P52 V53 | P50-P52 VanDerWaalsContact C-N 3.27Å; P50-P52 WeakPolarHBondContact O-CD 3.39Å; P50-V53 HydrophobicContact CG-CB 4.38Å; P50-V53 HydrophobicContact CG-CG2 3.75Å; P50-V53 WeakPolarHBondContact O-CB 3.33Å; P50-V53 PolarHBondContact O-N 3.14Å | ||
| 51 | F | 59.8 | Low | 56.1 | Low | 58 Ų | 58 | 88.3 Ų | 88.3 | 25% | 0.254 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -43.1 | -40.8 | -170.8 | -165 | -111.4 | 0 | 0 | 0 | 116.1 | V53 V55 M115 F118 | F51-V53 VanDerWaalsContact C-N 3.35Å; F51-V53 PolarHBondContact O-N 3.44Å; F51-V55 HydrophobicContact CE1-CG2 4.16Å; F51-V55 HydrophobicContact CE2-CG2 4.31Å; F51-V55 HydrophobicContact CZ-CG2 3.7Å; F51-V55 WeakPolarHBondContact O-CG2 3.35Å; F51-V55 PolarHBondContact O-N 3.4Å; F51-M115 HydrophobicContact CD1-SD 4.22Å; F51-M115 HydrophobicContact CE1-CE 4.41Å; F51-M115 HydrophobicContact CE1-SD 3.38Å; F51-M115 WeakPolarHBondContact CE1-SD 3.41Å; F51-M115 HydrophobicContact CZ-SD 4.06Å; F51-F118 HydrophobicContact CD1-CB 4.01Å; F51-F118 HydrophobicContact CD2-CB 3.83Å; F51-F118 AromaticContact CD2-CD1 3.59Å; F51-F118 HydrophobicContact CD2-CD1 3.59Å; F51-F118 HydrophobicContact CD2-CD2 4.21Å; F51-F118 HydrophobicContact CD2-CE1 4.03Å; F51-F118 AromaticContact CD2-CG 3.69Å; F51-F118 HydrophobicContact CD2-CG 3.69Å; F51-F118 HydrophobicContact CD2-CZ 4.49Å; F51-F118 HydrophobicContact CE1-CB 3.22Å; F51-F118 HydrophobicContact CE1-CD2 4.24Å; F51-F118 AromaticContact CE1-CG 3.92Å; F51-F118 HydrophobicContact CE1-CG 3.92Å; F51-F118 HydrophobicContact CE2-CB 3.18Å; F51-F118 AromaticContact CE2-CD1 3.16Å; F51-F118 HydrophobicContact CE2-CD1 3.16Å; F51-F118 AromaticContact CE2-CD2 3.03Å; F51-F118 HydrophobicContact CE2-CD2 3.03Å; F51-F118 AromaticContact CE2-CE1 3.58Å; F51-F118 HydrophobicContact CE2-CE1 3.58Å; F51-F118 AromaticContact CE2-CE2 3.44Å; F51-F118 HydrophobicContact CE2-CE2 3.44Å; F51-F118 VanDerWaalsContact CE2-CE2 3.44Å; F51-F118 AromaticContact CE2-CG 2.85Å; F51-F118 HydrophobicContact CE2-CG 2.85Å; F51-F118 AromaticContact CE2-CZ 3.7Å; F51-F118 HydrophobicContact CE2-CZ 3.7Å; F51-F118 HydrophobicContact CG-CB 4.3Å; F51-F118 HydrophobicContact CZ-CB 2.86Å; F51-F118 AromaticContact CZ-CD1 3.85Å; F51-F118 HydrophobicContact CZ-CD1 3.85Å; F51-F118 AromaticContact CZ-CD2 3.06Å; F51-F118 HydrophobicContact CZ-CD2 3.06Å; F51-F118 AromaticContact CZ-CE2 3.86Å; F51-F118 HydrophobicContact CZ-CE2 3.86Å; F51-F118 AromaticContact CZ-CG 3.03Å; F51-F118 HydrophobicContact CZ-CG 3.03Å |
| 52 | P | 61.4 | Low | 57 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -31.7 | 176.7 | -19.1 | 32.7 | 0 | 0 | 0 | 114.4 | P50 V55 I56 | P50-P52 VanDerWaalsContact C-N 3.27Å; P50-P52 WeakPolarHBondContact O-CD 3.39Å; P52-V55 PolarHBondContact O-N 3.18Å; P52-I56 WeakPolarHBondContact O-CD1 3.46Å; P52-I56 VanDerWaalsContact O-CG1 3.23Å; P52-I56 WeakPolarHBondContact O-CG1 3.46Å; P52-I56 PolarHBondContact O-N 2.53Å |
| 53 | V | 64.7 | Low | 58 | Low | 63 Ų | 63 | 79.6 Ų | 79.6 | 38% | 0.382 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | -175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | M49 P50 F51 V55 I56 C57 | M49-V53 HydrophobicContact CB-CB 4.3Å; M49-V53 HydrophobicContact CB-CG1 4.13Å; M49-V53 HydrophobicContact SD-CG1 3.98Å; P50-V53 HydrophobicContact CG-CB 4.38Å; P50-V53 HydrophobicContact CG-CG2 3.75Å; P50-V53 WeakPolarHBondContact O-CB 3.33Å; P50-V53 PolarHBondContact O-N 3.14Å; F51-V53 VanDerWaalsContact C-N 3.35Å; F51-V53 PolarHBondContact O-N 3.44Å; V53-V55 VanDerWaalsContact C-N 3.29Å; V53-V55 PolarHBondContact O-N 3Å; V53-I56 PolarHBondContact O-N 3.06Å; V53-C57 WeakPolarHBondContact O-CB 3.23Å; V53-C57 PolarHBondContact O-N 3.3Å |
| 54 | A | 65.7 | Low | 59 | Low | 51 Ų | 51 | 77.2 Ų | 77.2 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C57 L58 | A54-C57 PolarHBondContact O-N 2.85Å; A54-L58 WeakPolarHBondContact O-CB 3.43Å; A54-L58 PolarHBondContact O-N 3.3Å |
| 55 | V | 69.5 | Low | 59.8 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 177.9 | 175 | 0 | 0 | 0 | 0 | 111.6 | F51 P52 V53 L58 F59 V111 M115 | F51-V55 HydrophobicContact CE1-CG2 4.16Å; F51-V55 HydrophobicContact CE2-CG2 4.31Å; F51-V55 HydrophobicContact CZ-CG2 3.7Å; F51-V55 WeakPolarHBondContact O-CG2 3.35Å; F51-V55 PolarHBondContact O-N 3.4Å; P52-V55 PolarHBondContact O-N 3.18Å; V53-V55 VanDerWaalsContact C-N 3.29Å; V53-V55 PolarHBondContact O-N 3Å; V55-L58 PolarHBondContact O-N 3Å; V55-F59 WeakPolarHBondContact O-CB 3.34Å; V55-F59 PolarHBondContact O-N 3.41Å; V55-V111 HydrophobicContact CG1-CG1 3.85Å; V55-M115 HydrophobicContact CB-CE 4.08Å; V55-M115 HydrophobicContact CB-CG 4.48Å; V55-M115 HydrophobicContact CG1-CE 3.84Å; V55-M115 HydrophobicContact CG1-CG 3.86Å; V55-M115 HydrophobicContact CG1-SD 4.46Å; V55-M115 HydrophobicContact CG2-CE 3.88Å; V55-M115 HydrophobicContact CG2-CG 3.83Å; V55-M115 HydrophobicContact CG2-SD 3.88Å |
| 56 | I | 70.1 | Confident | 60.9 | Low | 99 Ų | 99 | 73.2 Ų | 73.2 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.8 | -67.6 | 162 | 0 | 0 | 0 | 110.6 | P52 V53 F59 L60 | P52-I56 WeakPolarHBondContact O-CD1 3.46Å; P52-I56 VanDerWaalsContact O-CG1 3.23Å; P52-I56 WeakPolarHBondContact O-CG1 3.46Å; P52-I56 PolarHBondContact O-N 2.53Å; V53-I56 PolarHBondContact O-N 3.06Å; I56-F59 PolarHBondContact O-N 3.26Å; I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 HydrophobicContact CG2-CG 4.39Å; I56-L60 WeakPolarHBondContact O-CB 3.44Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 2.98Å |
| 57 | C | 72.1 | Confident | 62.1 | Low | 67 Ų | 67 | 73.9 Ų | 73.9 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 111.7 | V53 A54 L60 N61 | V53-C57 WeakPolarHBondContact O-CB 3.23Å; V53-C57 PolarHBondContact O-N 3.3Å; A54-C57 PolarHBondContact O-N 2.85Å; C57-L60 PolarHBondContact O-N 3.48Å; C57-N61 WeakPolarHBondContact O-CB 3.21Å; C57-N61 PolarHBondContact O-N 3.39Å; C57-N61 PolarHBondContact O-ND2 2.81Å |
| 58 | L | 68 | Low | 63.4 | Low | 54 Ų | 54 | 71.1 Ų | 71.1 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.2 | -171.8 | 74 | 0 | 0 | 0 | 112 | A54 V55 N61 T62 I114 | A54-L58 WeakPolarHBondContact O-CB 3.43Å; A54-L58 PolarHBondContact O-N 3.3Å; V55-L58 PolarHBondContact O-N 3Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.97Å; L58-T62 WeakPolarHBondContact O-CB 3.33Å; L58-T62 PolarHBondContact O-N 3.22Å; L58-T62 PolarHBondContact O-OG1 2.9Å; L58-I114 HydrophobicContact CD2-CD1 3.83Å |
| 59 | F | 70.1 | Confident | 64.8 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -53.1 | 175.7 | -160.7 | -94.3 | 0 | 0 | 0 | 109.7 | V55 I56 N61 T62 F63 V111 | V55-F59 WeakPolarHBondContact O-CB 3.34Å; V55-F59 PolarHBondContact O-N 3.41Å; I56-F59 PolarHBondContact O-N 3.26Å; F59-N61 VanDerWaalsContact C-N 3.31Å; F59-N61 PolarHBondContact O-N 3.45Å; F59-T62 PolarHBondContact O-N 2.8Å; F59-F63 AromaticContact CD1-CD2 3.48Å; F59-F63 HydrophobicContact CD1-CD2 3.48Å; F59-F63 VanDerWaalsContact CD1-CD2 3.48Å; F59-F63 AromaticContact CD1-CE2 3.59Å; F59-F63 HydrophobicContact CD1-CE2 3.59Å; F59-F63 HydrophobicContact CD1-CG 4.4Å; F59-F63 HydrophobicContact CD2-CD2 4.25Å; F59-F63 AromaticContact CD2-CE2 3.78Å; F59-F63 HydrophobicContact CD2-CE2 3.78Å; F59-F63 AromaticContact CE1-CD2 3.45Å; F59-F63 HydrophobicContact CE1-CD2 3.45Å; F59-F63 VanDerWaalsContact CE1-CD2 3.45Å; F59-F63 HydrophobicContact CE1-CE1 4.48Å; F59-F63 AromaticContact CE1-CE2 3.14Å; F59-F63 HydrophobicContact CE1-CE2 3.14Å; F59-F63 HydrophobicContact CE1-CG 4.26Å; F59-F63 AromaticContact CE1-CZ 3.71Å; F59-F63 HydrophobicContact CE1-CZ 3.71Å; F59-F63 HydrophobicContact CE2-CD2 4.23Å; F59-F63 AromaticContact CE2-CE2 3.38Å; F59-F63 HydrophobicContact CE2-CE2 3.38Å; F59-F63 HydrophobicContact CE2-CZ 4.07Å; F59-F63 AromaticContact CG-CD2 3.91Å; F59-F63 HydrophobicContact CG-CD2 3.91Å; F59-F63 AromaticContact CG-CE2 3.9Å; F59-F63 HydrophobicContact CG-CE2 3.9Å; F59-F63 AromaticContact CZ-CD2 3.85Å; F59-F63 HydrophobicContact CZ-CD2 3.85Å; F59-F63 AromaticContact CZ-CE2 3.04Å; F59-F63 HydrophobicContact CZ-CE2 3.04Å; F59-F63 AromaticContact CZ-CZ 3.45Å; F59-F63 HydrophobicContact CZ-CZ 3.45Å; F59-F63 VanDerWaalsContact CZ-CZ 3.45Å; F59-F63 VanDerWaalsContact O-CD2 3.26Å; F59-F63 WeakPolarHBondContact O-CD2 3.36Å; F59-F63 PolarHBondContact O-N 2.82Å; F59-V111 HydrophobicContact CD2-CB 4.28Å; F59-V111 HydrophobicContact CD2-CG1 4.04Å; F59-V111 HydrophobicContact CD2-CG2 3.89Å |
| 60 | L | 66.9 | Low | 65.8 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 56% | 0.555 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.2 | -44.2 | 176.8 | -67.9 | 170.2 | 0 | 0 | 0 | 111.5 | I56 C57 T62 F63 V64 | I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 HydrophobicContact CG2-CG 4.39Å; I56-L60 WeakPolarHBondContact O-CB 3.44Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 2.98Å; C57-L60 PolarHBondContact O-N 3.48Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 2.9Å; L60-F63 PolarHBondContact O-N 3.44Å; L60-V64 WeakPolarHBondContact O-CB 3.24Å; L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 2.95Å |
| 61 | N | 66.8 | Low | 66.4 | Low | 75 Ų | 75 | 65.2 Ų | 65.2 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.5 | -19.1 | 177.5 | -75.8 | -29 | 0 | 0 | 0 | 114.8 | C57 L58 F59 P65 | C57-N61 WeakPolarHBondContact O-CB 3.21Å; C57-N61 PolarHBondContact O-N 3.39Å; C57-N61 PolarHBondContact O-ND2 2.81Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.97Å; F59-N61 VanDerWaalsContact C-N 3.31Å; F59-N61 PolarHBondContact O-N 3.45Å; N61-P65 WeakPolarHBondContact O-CD 3.34Å; N61-P65 WeakPolarHBondContact O-CG 3.46Å |
| 62 | T | 67.8 | Low | 66.8 | Low | 37 Ų | 37 | 65.3 Ų | 65.3 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -91.4 | -34.3 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | L58 F59 L60 P65 G66 A107 | L58-T62 WeakPolarHBondContact O-CB 3.33Å; L58-T62 PolarHBondContact O-N 3.22Å; L58-T62 PolarHBondContact O-OG1 2.9Å; F59-T62 PolarHBondContact O-N 2.8Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 2.9Å; T62-P65 VanDerWaalsContact O-CD 3.31Å; T62-P65 WeakPolarHBondContact O-CD 3.38Å; T62-P65 WeakPolarHBondContact O-CG 3.25Å; T62-G66 PolarHBondContact O-N 3.45Å; T62-A107 HydrophobicContact CG2-CB 3.44Å; T62-A107 VanDerWaalsContact CG2-CB 3.44Å |
| 63 | F | 65.2 | Low | 66.9 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 21% | 0.211 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.1 | -29.2 | 173.7 | -83.6 | -92.8 | 0 | 0 | 0 | 112.2 | F59 L60 G66 L67 I104 | F59-F63 AromaticContact CD1-CD2 3.48Å; F59-F63 HydrophobicContact CD1-CD2 3.48Å; F59-F63 VanDerWaalsContact CD1-CD2 3.48Å; F59-F63 AromaticContact CD1-CE2 3.59Å; F59-F63 HydrophobicContact CD1-CE2 3.59Å; F59-F63 HydrophobicContact CD1-CG 4.4Å; F59-F63 HydrophobicContact CD2-CD2 4.25Å; F59-F63 AromaticContact CD2-CE2 3.78Å; F59-F63 HydrophobicContact CD2-CE2 3.78Å; F59-F63 AromaticContact CE1-CD2 3.45Å; F59-F63 HydrophobicContact CE1-CD2 3.45Å; F59-F63 VanDerWaalsContact CE1-CD2 3.45Å; F59-F63 HydrophobicContact CE1-CE1 4.48Å; F59-F63 AromaticContact CE1-CE2 3.14Å; F59-F63 HydrophobicContact CE1-CE2 3.14Å; F59-F63 HydrophobicContact CE1-CG 4.26Å; F59-F63 AromaticContact CE1-CZ 3.71Å; F59-F63 HydrophobicContact CE1-CZ 3.71Å; F59-F63 HydrophobicContact CE2-CD2 4.23Å; F59-F63 AromaticContact CE2-CE2 3.38Å; F59-F63 HydrophobicContact CE2-CE2 3.38Å; F59-F63 HydrophobicContact CE2-CZ 4.07Å; F59-F63 AromaticContact CG-CD2 3.91Å; F59-F63 HydrophobicContact CG-CD2 3.91Å; F59-F63 AromaticContact CG-CE2 3.9Å; F59-F63 HydrophobicContact CG-CE2 3.9Å; F59-F63 AromaticContact CZ-CD2 3.85Å; F59-F63 HydrophobicContact CZ-CD2 3.85Å; F59-F63 AromaticContact CZ-CE2 3.04Å; F59-F63 HydrophobicContact CZ-CE2 3.04Å; F59-F63 AromaticContact CZ-CZ 3.45Å; F59-F63 HydrophobicContact CZ-CZ 3.45Å; F59-F63 VanDerWaalsContact CZ-CZ 3.45Å; F59-F63 VanDerWaalsContact O-CD2 3.26Å; F59-F63 WeakPolarHBondContact O-CD2 3.36Å; F59-F63 PolarHBondContact O-N 2.82Å; L60-F63 PolarHBondContact O-N 3.44Å; F63-G66 PolarHBondContact O-N 2.9Å; F63-L67 HydrophobicContact CB-CD1 4.36Å; F63-L67 VanDerWaalsContact O-CB 3.28Å; F63-L67 WeakPolarHBondContact O-CB 3.21Å; F63-L67 WeakPolarHBondContact O-CD1 3.36Å; F63-L67 PolarHBondContact O-N 3.32Å; F63-I104 HydrophobicContact CE1-CG1 4.34Å; F63-I104 HydrophobicContact CE1-CG2 4.33Å; F63-I104 HydrophobicContact CZ-CG2 4.41Å |
| 64 | V | 67.7 | Low | 66.8 | Low | 100 Ų | 100 | 64 Ų | 64 | 61% | 0.606 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.2 | -51.9 | 174.5 | 166.2 | 0 | 0 | 0 | 0 | 113.1 | L60 G68 | L60-V64 WeakPolarHBondContact O-CB 3.24Å; L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 2.95Å; V64-G68 PolarHBondContact O-N 3.41Å |
| 65 | P | 59.3 | Low | 66.8 | Low | 77 Ų | 77 | 65.6 Ų | 65.6 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.1 | -33.5 | 175.3 | 24.1 | -30.8 | 0 | 0 | 0 | 112.8 | N61 T62 G68 T69 | N61-P65 WeakPolarHBondContact O-CD 3.34Å; N61-P65 WeakPolarHBondContact O-CG 3.46Å; T62-P65 VanDerWaalsContact O-CD 3.31Å; T62-P65 WeakPolarHBondContact O-CD 3.38Å; T62-P65 WeakPolarHBondContact O-CG 3.25Å; P65-G68 PolarHBondContact O-N 2.88Å; P65-T69 PolarHBondContact O-N 3.39Å; P65-T69 PolarHBondContact O-OG1 3.07Å |
| 66 | G | 63.4 | Low | 66.2 | Low | 10 Ų | 10 | 68.7 Ų | 68.7 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | T62 F63 G68 T69 F70 | T62-G66 PolarHBondContact O-N 3.45Å; F63-G66 PolarHBondContact O-N 2.9Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G66-T69 PolarHBondContact O-N 3.46Å; G66-F70 PolarHBondContact O-N 2.81Å |
| 67 | L | 65.6 | Low | 65.6 | Low | 99 Ų | 99 | 67.4 Ų | 67.4 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 170.8 | -106.9 | 115.7 | 0 | 0 | 0 | 111 | F63 T69 F70 V71 | F63-L67 HydrophobicContact CB-CD1 4.36Å; F63-L67 VanDerWaalsContact O-CB 3.28Å; F63-L67 WeakPolarHBondContact O-CB 3.21Å; F63-L67 WeakPolarHBondContact O-CD1 3.36Å; F63-L67 PolarHBondContact O-N 3.32Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.31Å; L67-F70 PolarHBondContact O-N 2.95Å; L67-F70 VanDerWaalsContact O-N 3.15Å; L67-V71 HydrophobicContact CD2-CG2 4.5Å; L67-V71 WeakPolarHBondContact O-CB 3.5Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.25Å |
| 68 | G | 67.5 | Low | 65 | Low | 41 Ų | 41 | 69.6 Ų | 69.6 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V64 P65 G66 S72 | V64-G68 PolarHBondContact O-N 3.41Å; P65-G68 PolarHBondContact O-N 2.88Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G68-S72 WeakPolarHBondContact O-CB 3.35Å; G68-S72 PolarHBondContact O-N 3.36Å |
| 69 | T | 69.4 | Low | 64.5 | Low | 55 Ų | 55 | 70 Ų | 70 | 34% | 0.337 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | P65 G66 L67 A73 | P65-T69 PolarHBondContact O-N 3.39Å; P65-T69 PolarHBondContact O-OG1 3.07Å; G66-T69 PolarHBondContact O-N 3.46Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.31Å; T69-A73 WeakPolarHBondContact O-CB 3.24Å; T69-A73 PolarHBondContact O-N 3.24Å |
| 70 | F | 65.8 | Low | 63.3 | Low | 85 Ų | 85 | 68.4 Ų | 68.4 | 37% | 0.373 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 179.4 | -170 | -98.6 | 0 | 0 | 0 | 112.7 | G66 L67 A73 F74 I97 A100 | G66-F70 PolarHBondContact O-N 2.81Å; L67-F70 PolarHBondContact O-N 2.95Å; L67-F70 VanDerWaalsContact O-N 3.15Å; F70-A73 WeakPolarHBondContact O-CB 3.38Å; F70-A73 PolarHBondContact O-N 3.26Å; F70-F74 HydrophobicContact CD1-CD2 4.48Å; F70-F74 HydrophobicContact CE1-CD2 4Å; F70-F74 AromaticContact CE1-CE2 3.98Å; F70-F74 HydrophobicContact CE1-CE2 3.98Å; F70-F74 HydrophobicContact CZ-CD2 4.3Å; F70-F74 AromaticContact CZ-CE2 3.99Å; F70-F74 HydrophobicContact CZ-CE2 3.99Å; F70-F74 PolarHBondContact O-N 2.89Å; F70-I97 HydrophobicContact CE2-CD1 3.98Å; F70-A100 HydrophobicContact CB-CB 4.41Å; F70-A100 HydrophobicContact CD2-CB 3.86Å |
| 71 | V | 68.1 | Low | 62 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L67 A73 F74 T75 | L67-V71 HydrophobicContact CD2-CG2 4.5Å; L67-V71 WeakPolarHBondContact O-CB 3.5Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.25Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.31Å; V71-F74 WeakPolarHBondContact O-CB 3.48Å; V71-F74 PolarHBondContact O-N 3.48Å; V71-F74 VanDerWaalsContact O-N 3.15Å; V71-T75 HydrophobicContact CG1-CG2 4.5Å; V71-T75 PolarHBondContact O-N 3.28Å; V71-T75 PolarHBondContact O-OG1 2.79Å |
| 72 | S | 66.8 | Low | 60.8 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 173.4 | -179 | 0 | 0 | 0 | 0 | 112.1 | G68 F74 T75 V76 | G68-S72 WeakPolarHBondContact O-CB 3.35Å; G68-S72 PolarHBondContact O-N 3.36Å; S72-F74 VanDerWaalsContact C-N 3.29Å; S72-F74 PolarHBondContact O-N 3.45Å; S72-T75 WeakPolarHBondContact CA-OG1 3.38Å; S72-T75 PolarHBondContact O-N 3.31Å; S72-T75 PolarHBondContact O-OG1 2.88Å; S72-V76 WeakPolarHBondContact O-CB 3.38Å; S72-V76 VanDerWaalsContact O-CG2 3.26Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.04Å |
| 73 | A | 64.7 | Low | 59.6 | Low | 5 Ų | 5 | 81.2 Ų | 81.2 | 4% | 0.041 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T69 F70 V71 L77 N96 | T69-A73 WeakPolarHBondContact O-CB 3.24Å; T69-A73 PolarHBondContact O-N 3.24Å; F70-A73 WeakPolarHBondContact O-CB 3.38Å; F70-A73 PolarHBondContact O-N 3.26Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.31Å; A73-L77 PolarHBondContact O-N 3.21Å; A73-L77 VanDerWaalsContact O-N 3.16Å; A73-N96 HydrophobicContact CB-CB 3.52Å |
| 74 | F | 63 | Low | 58.5 | Low | 100 Ų | 100 | 85.9 Ų | 85.9 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 176.9 | -111.2 | -84.7 | 0 | 0 | 0 | 112.6 | F70 V71 S72 L77 C78 | F70-F74 HydrophobicContact CD1-CD2 4.48Å; F70-F74 HydrophobicContact CE1-CD2 4Å; F70-F74 AromaticContact CE1-CE2 3.98Å; F70-F74 HydrophobicContact CE1-CE2 3.98Å; F70-F74 HydrophobicContact CZ-CD2 4.3Å; F70-F74 AromaticContact CZ-CE2 3.99Å; F70-F74 HydrophobicContact CZ-CE2 3.99Å; F70-F74 PolarHBondContact O-N 2.89Å; V71-F74 WeakPolarHBondContact O-CB 3.48Å; V71-F74 PolarHBondContact O-N 3.48Å; V71-F74 VanDerWaalsContact O-N 3.15Å; S72-F74 VanDerWaalsContact C-N 3.29Å; S72-F74 PolarHBondContact O-N 3.45Å; F74-L77 PolarHBondContact O-N 2.9Å; F74-C78 PolarHBondContact O-N 2.9Å |
| 75 | T | 64.5 | Low | 57.6 | Low | 86 Ų | 86 | 85.8 Ų | 85.8 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 178 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | V71 S72 L77 C78 G79 | V71-T75 HydrophobicContact CG1-CG2 4.5Å; V71-T75 PolarHBondContact O-N 3.28Å; V71-T75 PolarHBondContact O-OG1 2.79Å; S72-T75 WeakPolarHBondContact CA-OG1 3.38Å; S72-T75 PolarHBondContact O-N 3.31Å; S72-T75 PolarHBondContact O-OG1 2.88Å; T75-L77 VanDerWaalsContact C-N 3.33Å; T75-C78 PolarHBondContact O-N 3.32Å; T75-G79 PolarHBondContact O-N 3.46Å |
| 76 | V | 58.2 | Low | 57.5 | Low | 81 Ų | 81 | 88.2 Ų | 88.2 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 171.1 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | S72 A80 | S72-V76 WeakPolarHBondContact O-CB 3.38Å; S72-V76 VanDerWaalsContact O-CG2 3.26Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.04Å; V76-A80 PolarHBondContact O-N 2.99Å |
| 77 | L | 56.9 | Low | 57.2 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 177.1 | -157.5 | 77.7 | 0 | 0 | 0 | 112.7 | A73 F74 T75 V89 F93 | A73-L77 PolarHBondContact O-N 3.21Å; A73-L77 VanDerWaalsContact O-N 3.16Å; F74-L77 PolarHBondContact O-N 2.9Å; T75-L77 VanDerWaalsContact C-N 3.33Å; L77-V89 HydrophobicContact CD1-CG1 4.41Å; L77-F93 HydrophobicContact CB-CD2 4.35Å; L77-F93 HydrophobicContact CD1-CB 3.88Å; L77-F93 HydrophobicContact CD1-CD2 3.63Å; L77-F93 HydrophobicContact CD1-CE2 4.39Å; L77-F93 HydrophobicContact CD1-CG 3.87Å; L77-F93 HydrophobicContact CD2-CD2 3.77Å; L77-F93 HydrophobicContact CD2-CE2 3.66Å; L77-F93 HydrophobicContact CD2-CG 4.43Å; L77-F93 HydrophobicContact CD2-CZ 4.23Å; L77-F93 HydrophobicContact CG-CD2 4.13Å; L77-F93 HydrophobicContact CG-CE2 4.45Å |
| 78 | C | 60.1 | Low | 56.8 | Low | 114 Ų | 114 | 101.1 Ų | 101.1 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -74.8 | -22.1 | 177.1 | -81.6 | 0 | 0 | 0 | 0 | 114.1 | F74 T75 | F74-C78 PolarHBondContact O-N 2.9Å; T75-C78 PolarHBondContact O-N 3.32Å |
| 79 | G | 56 | Low | 56.5 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -89.5 | -17.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | T75 R81 | T75-G79 PolarHBondContact O-N 3.46Å; G79-R81 PolarHBondContact O-N 3.06Å |
| 80 | A | 44.8 | Very low | 56.4 | Low | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | trans | -85.5 | 99.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V76 T82 | V76-A80 PolarHBondContact O-N 2.99Å; A80-T82 HydrophobicContact CB-CG2 4.03Å; A80-T82 PolarHBondContact O-N 3.31Å | ||
| 81 | R | 40.5 | Very low | 56.5 | Low | 251 Ų | 251 | 101.6 Ų | 101.6 | 95% | 0.947 | 56% | 0.559 | S | S | * | * | trans | -65.1 | 101 | 156.5 | -87.1 | -132.2 | -175.1 | -180 | 2.5 | 107.9 | G79 D83 | G79-R81 PolarHBondContact O-N 3.06Å; R81-D83 PolarHBondContact O-N 3.32Å | ||
| 82 | T | 41.8 | Very low | 56.5 | Low | 79 Ų | 79 | 101.3 Ų | 101.3 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | trans | -91.8 | 101.5 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | A80 V89 | A80-T82 HydrophobicContact CB-CG2 4.03Å; A80-T82 PolarHBondContact O-N 3.31Å; T82-V89 HydrophobicContact CG2-CB 4.34Å; T82-V89 HydrophobicContact CG2-CG1 4.09Å; T82-V89 HydrophobicContact CG2-CG2 3.66Å | ||
| 83 | D | 42.4 | Very low | 56.8 | Low | 157 Ų | 157 | 101 Ų | 101 | 84% | 0.84 | 55% | 0.548 | S | S | * | . | trans | -112.2 | 34.2 | 171.4 | -148.8 | -13.9 | 0 | 0 | 0 | 110.9 | R81 | R81-D83 PolarHBondContact O-N 3.32Š| ||
| 84 | L | 43 | Very low | 57.3 | Low | 145 Ų | 145 | 109.4 Ų | 109.4 | 76% | 0.759 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -169.4 | 163.2 | 167.6 | -134.7 | 66.3 | 0 | 0 | 0 | 112.1 | ||
| 85 | P | 48.4 | Very low | 57.8 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | -65.8 | 135.8 | -127.8 | 16 | 7.1 | 0 | 0 | 0 | 114 | R87 | P85-R87 PolarHBondContact O-N 2.89Š| |||
| 86 | D | 55.8 | Low | 58.3 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -3.6 | -165.1 | -55.4 | -75.5 | 0 | 0 | 0 | 118.9 | ||
| 87 | R | 56.9 | Low | 59.2 | Low | 225 Ų | 225 | 106.3 Ų | 106.3 | 85% | 0.849 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -81.5 | -33.6 | -166.4 | -125.4 | 175.7 | 172 | 169.9 | -2.7 | 114.7 | P85 | P85-R87 PolarHBondContact O-N 2.89Å |
| 88 | H | 58.1 | Low | 60.3 | Low | 155 Ų | 155 | 104.7 Ų | 104.7 | 72% | 0.718 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -82.1 | -35.6 | -177.6 | -104.5 | -100 | 0 | 0 | 0 | 113 | C91 V92 | H88-C91 WeakPolarHBondContact O-CB 3.44Å; H88-C91 PolarHBondContact O-N 2.75Å; H88-V92 WeakPolarHBondContact O-CG2 3.05Å; H88-V92 PolarHBondContact O-N 3.33Å; H88-V92 VanDerWaalsContact O-N 3.07Å |
| 89 | V | 62.3 | Low | 61.1 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 30% | 0.297 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.6 | -42.3 | -176.6 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | L77 T82 C91 V92 F93 | L77-V89 HydrophobicContact CD1-CG1 4.41Å; T82-V89 HydrophobicContact CG2-CB 4.34Å; T82-V89 HydrophobicContact CG2-CG1 4.09Å; T82-V89 HydrophobicContact CG2-CG2 3.66Å; V89-C91 VanDerWaalsContact C-N 3.25Å; V89-C91 PolarHBondContact O-N 3.14Å; V89-V92 PolarHBondContact O-N 3.1Å; V89-F93 WeakPolarHBondContact O-CB 3.2Å; V89-F93 PolarHBondContact O-N 3.5Å |
| 90 | C | 65.4 | Low | 61.9 | Low | 74 Ų | 74 | 98.4 Ų | 98.4 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.4 | -38.7 | 169.9 | -84 | 0 | 0 | 0 | 0 | 112.2 | F93 W94 | C90-F93 PolarHBondContact O-N 3.47Å; C90-W94 WeakPolarHBondContact O-CB 3.41Å; C90-W94 PolarHBondContact O-N 3.47Å |
| 91 | C | 69.7 | Low | 63.6 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | 179.4 | -158.2 | 0 | 0 | 0 | 0 | 111.5 | H88 V89 F93 W94 L95 | H88-C91 WeakPolarHBondContact O-CB 3.44Å; H88-C91 PolarHBondContact O-N 2.75Å; V89-C91 VanDerWaalsContact C-N 3.25Å; V89-C91 PolarHBondContact O-N 3.14Å; C91-F93 VanDerWaalsContact C-N 3.33Å; C91-F93 PolarHBondContact O-N 3.34Å; C91-W94 PolarHBondContact O-N 3.16Å; C91-L95 WeakPolarHBondContact O-CB 3.49Å; C91-L95 VanDerWaalsContact O-CG 3.25Å; C91-L95 WeakPolarHBondContact O-CG 3.45Å; C91-L95 PolarHBondContact O-N 3.05Å |
| 92 | V | 68 | Low | 65.6 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | H88 V89 N96 | H88-V92 WeakPolarHBondContact O-CG2 3.05Å; H88-V92 PolarHBondContact O-N 3.33Å; H88-V92 VanDerWaalsContact O-N 3.07Å; V89-V92 PolarHBondContact O-N 3.1Å; V92-N96 WeakPolarHBondContact O-CB 3.36Å; V92-N96 PolarHBondContact O-N 3.46Å; V92-N96 PolarHBondContact O-ND2 3.48Å |
| 93 | F | 71.6 | Confident | 67.4 | Low | 54 Ų | 54 | 95.4 Ų | 95.4 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 174.8 | -179.6 | -107.7 | 0 | 0 | 0 | 112 | L77 V89 C90 C91 L95 N96 I97 | L77-F93 HydrophobicContact CB-CD2 4.35Å; L77-F93 HydrophobicContact CD1-CB 3.88Å; L77-F93 HydrophobicContact CD1-CD2 3.63Å; L77-F93 HydrophobicContact CD1-CE2 4.39Å; L77-F93 HydrophobicContact CD1-CG 3.87Å; L77-F93 HydrophobicContact CD2-CD2 3.77Å; L77-F93 HydrophobicContact CD2-CE2 3.66Å; L77-F93 HydrophobicContact CD2-CG 4.43Å; L77-F93 HydrophobicContact CD2-CZ 4.23Å; L77-F93 HydrophobicContact CG-CD2 4.13Å; L77-F93 HydrophobicContact CG-CE2 4.45Å; V89-F93 WeakPolarHBondContact O-CB 3.2Å; V89-F93 PolarHBondContact O-N 3.5Å; C90-F93 PolarHBondContact O-N 3.47Å; C91-F93 VanDerWaalsContact C-N 3.33Å; C91-F93 PolarHBondContact O-N 3.34Å; F93-L95 PolarHBondContact O-N 3.17Å; F93-N96 PolarHBondContact O-N 3.09Å; F93-I97 HydrophobicContact CD1-CG1 4.25Å; F93-I97 HydrophobicContact CD2-CG1 4.49Å; F93-I97 HydrophobicContact CE1-CD1 4.36Å; F93-I97 HydrophobicContact CE1-CG1 3.85Å; F93-I97 HydrophobicContact CE2-CD1 4.33Å; F93-I97 HydrophobicContact CE2-CG1 4.11Å; F93-I97 HydrophobicContact CZ-CD1 3.91Å; F93-I97 HydrophobicContact CZ-CG1 3.78Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 2.96Å |
| 94 | W | 75.3 | Confident | 69 | Low | 182 Ų | 182 | 91.3 Ų | 91.3 | 69% | 0.689 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 177.7 | -95.3 | 83.7 | 0 | 0 | 0 | 112.6 | C90 C91 N96 I97 A98 | C90-W94 WeakPolarHBondContact O-CB 3.41Å; C90-W94 PolarHBondContact O-N 3.47Å; C91-W94 PolarHBondContact O-N 3.16Å; W94-N96 VanDerWaalsContact C-N 3.33Å; W94-I97 PolarHBondContact O-N 2.94Å; W94-A98 WeakPolarHBondContact O-CB 3.28Å; W94-A98 PolarHBondContact O-N 3.42Å |
| 95 | L | 74.7 | Confident | 70.8 | Confident | 114 Ų | 114 | 90.1 Ų | 90.1 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 175.2 | -73.6 | 174.1 | 0 | 0 | 0 | 111.5 | C91 F93 A98 A99 | C91-L95 WeakPolarHBondContact O-CB 3.49Å; C91-L95 VanDerWaalsContact O-CG 3.25Å; C91-L95 WeakPolarHBondContact O-CG 3.45Å; C91-L95 PolarHBondContact O-N 3.05Å; F93-L95 PolarHBondContact O-N 3.17Å; L95-A98 PolarHBondContact O-N 3.16Å; L95-A99 VanDerWaalsContact O-CB 3.24Å; L95-A99 WeakPolarHBondContact O-CB 3.33Å; L95-A99 PolarHBondContact O-N 3.25Å |
| 96 | N | 74.1 | Confident | 72.4 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 24% | 0.235 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69 | -40.5 | 174.4 | -87.1 | -74.2 | 0 | 0 | 0 | 112.8 | A73 V92 F93 W94 A99 A100 | A73-N96 HydrophobicContact CB-CB 3.52Å; V92-N96 WeakPolarHBondContact O-CB 3.36Å; V92-N96 PolarHBondContact O-N 3.46Å; V92-N96 PolarHBondContact O-ND2 3.48Å; F93-N96 PolarHBondContact O-N 3.09Å; W94-N96 VanDerWaalsContact C-N 3.33Å; N96-A99 PolarHBondContact O-N 3.12Å; N96-A100 WeakPolarHBondContact O-CB 3.49Å; N96-A100 PolarHBondContact O-N 3.27Å |
| 97 | I | 76.8 | Confident | 73.3 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 172.4 | -73.3 | -79.3 | 0 | 0 | 0 | 110.4 | F70 F93 W94 A100 L101 | F70-I97 HydrophobicContact CE2-CD1 3.98Å; F93-I97 HydrophobicContact CD1-CG1 4.25Å; F93-I97 HydrophobicContact CD2-CG1 4.49Å; F93-I97 HydrophobicContact CE1-CD1 4.36Å; F93-I97 HydrophobicContact CE1-CG1 3.85Å; F93-I97 HydrophobicContact CE2-CD1 4.33Å; F93-I97 HydrophobicContact CE2-CG1 4.11Å; F93-I97 HydrophobicContact CZ-CD1 3.91Å; F93-I97 HydrophobicContact CZ-CG1 3.78Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 2.96Å; W94-I97 PolarHBondContact O-N 2.94Å; I97-A100 PolarHBondContact O-N 2.93Å; I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.33Å |
| 98 | A | 80.9 | Confident | 74.3 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W94 L95 A100 L101 I102 | W94-A98 WeakPolarHBondContact O-CB 3.28Å; W94-A98 PolarHBondContact O-N 3.42Å; L95-A98 PolarHBondContact O-N 3.16Å; A98-A100 PolarHBondContact O-N 3.34Å; A98-L101 PolarHBondContact O-N 2.99Å; A98-I102 WeakPolarHBondContact O-CB 3.31Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.37Å; A98-I102 PolarHBondContact O-N 3.42Å |
| 99 | A | 77.2 | Confident | 75.4 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L95 N96 I102 Q103 | L95-A99 VanDerWaalsContact O-CB 3.24Å; L95-A99 WeakPolarHBondContact O-CB 3.33Å; L95-A99 PolarHBondContact O-N 3.25Å; N96-A99 PolarHBondContact O-N 3.12Å; A99-I102 PolarHBondContact O-N 3.43Å; A99-Q103 WeakPolarHBondContact O-CB 3.12Å; A99-Q103 PolarHBondContact O-N 3.25Å |
| 100 | A | 73.2 | Confident | 76.2 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F70 N96 I97 A98 Q103 I104 | F70-A100 HydrophobicContact CB-CB 4.41Å; F70-A100 HydrophobicContact CD2-CB 3.86Å; N96-A100 WeakPolarHBondContact O-CB 3.49Å; N96-A100 PolarHBondContact O-N 3.27Å; I97-A100 PolarHBondContact O-N 2.93Å; A98-A100 PolarHBondContact O-N 3.34Å; A100-Q103 PolarHBondContact O-N 2.77Å; A100-I104 WeakPolarHBondContact O-CG1 2.86Å; A100-I104 PolarHBondContact O-N 3.34Å |
| 101 | L | 79.8 | Confident | 76.7 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 58% | 0.581 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 175.4 | -79.1 | 170.9 | 0 | 0 | 0 | 111.7 | I97 A98 Q103 I104 L105 | I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.33Å; A98-L101 PolarHBondContact O-N 2.99Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 2.74Å; L101-I104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 PolarHBondContact O-N 2.92Å |
| 102 | I | 82.2 | Confident | 76.9 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 54% | 0.544 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.8 | -69.2 | 165.7 | 0 | 0 | 0 | 109.7 | A98 A99 L105 T106 | A98-I102 WeakPolarHBondContact O-CB 3.31Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.37Å; A98-I102 PolarHBondContact O-N 3.42Å; A99-I102 PolarHBondContact O-N 3.43Å; I102-L105 PolarHBondContact O-N 3.28Å; I102-T106 VanDerWaalsContact O-CB 3.24Å; I102-T106 WeakPolarHBondContact O-CB 3.14Å; I102-T106 PolarHBondContact O-N 2.84Å; I102-T106 PolarHBondContact O-OG1 2.63Å |
| 103 | Q | 79.5 | Confident | 77.5 | Confident | 96 Ų | 96 | 73.9 Ų | 73.9 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 179 | -161.6 | 71.3 | 30.5 | 0 | 0 | 111.8 | A99 A100 L101 A107 | A99-Q103 WeakPolarHBondContact O-CB 3.12Å; A99-Q103 PolarHBondContact O-N 3.25Å; A100-Q103 PolarHBondContact O-N 2.77Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 2.74Å; Q103-A107 VanDerWaalsContact O-CB 3.23Å; Q103-A107 WeakPolarHBondContact O-CB 3.5Å; Q103-A107 PolarHBondContact O-N 2.9Å |
| 104 | I | 75.8 | Confident | 77.8 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 36% | 0.359 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 176.6 | -69.9 | 179.4 | 0 | 0 | 0 | 110.8 | F63 A100 L101 T106 A107 I108 | F63-I104 HydrophobicContact CE1-CG1 4.34Å; F63-I104 HydrophobicContact CE1-CG2 4.33Å; F63-I104 HydrophobicContact CZ-CG2 4.41Å; A100-I104 WeakPolarHBondContact O-CG1 2.86Å; A100-I104 PolarHBondContact O-N 3.34Å; L101-I104 PolarHBondContact O-N 3.38Å; I104-T106 VanDerWaalsContact C-N 3.35Å; I104-T106 PolarHBondContact O-N 3.47Å; I104-A107 WeakPolarHBondContact O-CB 3.45Å; I104-A107 PolarHBondContact O-N 3.07Å; I104-I108 HydrophobicContact CG2-CD1 3.98Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 2.9Å |
| 105 | L | 82 | Confident | 77.8 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | -180 | -153.2 | 88.3 | 0 | 0 | 0 | 110.7 | L101 I102 A107 I108 V109 | L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 PolarHBondContact O-N 2.92Å; I102-L105 PolarHBondContact O-N 3.28Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 3.39Å; L105-I108 PolarHBondContact O-N 3.36Å; L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.63Å |
| 106 | T | 80.4 | Confident | 78 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 178 | -48.8 | 0 | 0 | 0 | 0 | 110.7 | I102 I104 V109 M110 | I102-T106 VanDerWaalsContact O-CB 3.24Å; I102-T106 WeakPolarHBondContact O-CB 3.14Å; I102-T106 PolarHBondContact O-N 2.84Å; I102-T106 PolarHBondContact O-OG1 2.63Å; I104-T106 VanDerWaalsContact C-N 3.35Å; I104-T106 PolarHBondContact O-N 3.47Å; T106-V109 PolarHBondContact O-N 2.83Å; T106-M110 HydrophobicContact CG2-CG 4.11Å; T106-M110 WeakPolarHBondContact O-CA 3.36Å; T106-M110 WeakPolarHBondContact O-CB 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.37Å; T106-M110 PolarHBondContact O-N 2.9Å |
| 107 | A | 75.9 | Confident | 78.3 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T62 Q103 I104 L105 M110 V111 | T62-A107 HydrophobicContact CG2-CB 3.44Å; T62-A107 VanDerWaalsContact CG2-CB 3.44Å; Q103-A107 VanDerWaalsContact O-CB 3.23Å; Q103-A107 WeakPolarHBondContact O-CB 3.5Å; Q103-A107 PolarHBondContact O-N 2.9Å; I104-A107 WeakPolarHBondContact O-CB 3.45Å; I104-A107 PolarHBondContact O-N 3.07Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 3.39Å; A107-M110 CarbonylContact O-C 3.42Å; A107-M110 PolarHBondContact O-N 3.15Å; A107-V111 WeakPolarHBondContact O-CB 3.27Å; A107-V111 VanDerWaalsContact O-CG2 3.24Å; A107-V111 WeakPolarHBondContact O-CG2 3.43Å; A107-V111 PolarHBondContact O-N 3.27Å |
| 108 | I | 77.7 | Confident | 78.2 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 177 | -67 | 167.2 | 0 | 0 | 0 | 110.5 | I104 L105 M110 V111 G112 | I104-I108 HydrophobicContact CG2-CD1 3.98Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 2.9Å; L105-I108 PolarHBondContact O-N 3.36Å; I108-M110 VanDerWaalsContact C-N 3.27Å; I108-M110 PolarHBondContact O-N 3.45Å; I108-V111 PolarHBondContact O-N 2.85Å; I108-V111 VanDerWaalsContact O-N 3.16Å; I108-G112 PolarHBondContact O-N 3.22Å |
| 109 | V | 81.5 | Confident | 78 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | L105 T106 V111 G112 W113 | L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.63Å; T106-V109 PolarHBondContact O-N 2.83Å; V109-V111 PolarHBondContact O-N 3.46Å; V109-G112 PolarHBondContact O-N 3.43Å; V109-W113 PolarHBondContact O-N 3.25Å |
| 110 | M | 77.9 | Confident | 78.1 | Confident | 96 Ų | 96 | 76 Ų | 76 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.3 | -12.3 | 178.9 | -72.6 | -67.1 | -77.2 | 0 | 0 | 114 | T106 A107 I108 W113 | T106-M110 HydrophobicContact CG2-CG 4.11Å; T106-M110 WeakPolarHBondContact O-CA 3.36Å; T106-M110 WeakPolarHBondContact O-CB 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.37Å; T106-M110 PolarHBondContact O-N 2.9Å; A107-M110 CarbonylContact O-C 3.42Å; A107-M110 PolarHBondContact O-N 3.15Å; I108-M110 VanDerWaalsContact C-N 3.27Å; I108-M110 PolarHBondContact O-N 3.45Å; M110-W113 HydrophobicContact CE-CZ2 3.71Å; M110-W113 PolarHBondContact O-NE1 3.46Å; M110-W113 HydrophobicContact SD-CZ2 4.1Å; M110-W113 PolarHBondContact SD-NE1 3.39Å; M110-W113 VanDerWaalsContact SD-NE1 3.38Å |
| 111 | V | 75.7 | Confident | 78.2 | Confident | 14 Ų | 14 | 80 Ų | 80 | 9% | 0.085 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -97.9 | -41.5 | 170.6 | 170.6 | 0 | 0 | 0 | 0 | 110 | V55 F59 A107 I108 V109 I114 M115 | V55-V111 HydrophobicContact CG1-CG1 3.85Å; F59-V111 HydrophobicContact CD2-CB 4.28Å; F59-V111 HydrophobicContact CD2-CG1 4.04Å; F59-V111 HydrophobicContact CD2-CG2 3.89Å; A107-V111 WeakPolarHBondContact O-CB 3.27Å; A107-V111 VanDerWaalsContact O-CG2 3.24Å; A107-V111 WeakPolarHBondContact O-CG2 3.43Å; A107-V111 PolarHBondContact O-N 3.27Å; I108-V111 PolarHBondContact O-N 2.85Å; I108-V111 VanDerWaalsContact O-N 3.16Å; V109-V111 PolarHBondContact O-N 3.46Å; V111-I114 PolarHBondContact O-N 2.93Å; V111-M115 WeakPolarHBondContact O-CB 3.34Å; V111-M115 PolarHBondContact O-N 2.82Å |
| 112 | G | 75.5 | Confident | 77.9 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I108 V109 M115 S116 | I108-G112 PolarHBondContact O-N 3.22Å; V109-G112 PolarHBondContact O-N 3.43Å; G112-M115 PolarHBondContact O-N 3.15Å; G112-S116 WeakPolarHBondContact O-CB 3.46Å; G112-S116 PolarHBondContact O-N 3.23Å |
| 113 | W | 80.7 | Confident | 77.7 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.9 | 78.4 | -56.4 | 0 | 0 | 0 | 112.3 | V109 M110 S116 I117 | V109-W113 PolarHBondContact O-N 3.25Å; M110-W113 HydrophobicContact CE-CZ2 3.71Å; M110-W113 PolarHBondContact O-NE1 3.46Å; M110-W113 HydrophobicContact SD-CZ2 4.1Å; M110-W113 PolarHBondContact SD-NE1 3.39Å; M110-W113 VanDerWaalsContact SD-NE1 3.38Å; W113-S116 WeakPolarHBondContact O-CB 3.39Å; W113-S116 PolarHBondContact O-N 2.86Å; W113-I117 HydrophobicContact CE3-CD1 3.76Å; W113-I117 HydrophobicContact CZ3-CD1 3.89Å; W113-I117 WeakPolarHBondContact O-CG1 3.45Å; W113-I117 PolarHBondContact O-N 2.85Å |
| 114 | I | 76.7 | Confident | 77.7 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 22% | 0.221 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64 | -49.3 | 177.5 | -68 | -175.3 | 0 | 0 | 0 | 109.4 | L58 V111 S116 I117 F118 | L58-I114 HydrophobicContact CD2-CD1 3.83Å; V111-I114 PolarHBondContact O-N 2.93Å; I114-S116 PolarHBondContact O-N 3.5Å; I114-I117 PolarHBondContact O-N 3.3Å; I114-F118 HydrophobicContact CG2-CD2 3.49Å; I114-F118 VanDerWaalsContact CG2-CD2 3.49Å; I114-F118 HydrophobicContact CG2-CE2 3.33Å; I114-F118 WeakPolarHBondContact O-CD2 3.24Å; I114-F118 PolarHBondContact O-N 2.88Å |
| 115 | M | 75 | Confident | 77.8 | Confident | 57 Ų | 57 | 82 Ų | 82 | 28% | 0.281 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54 | -39.6 | 174.1 | -99.3 | -71.8 | -153.1 | 0 | 0 | 112.1 | F51 V55 V111 G112 F118 W119 | F51-M115 HydrophobicContact CD1-SD 4.22Å; F51-M115 HydrophobicContact CE1-CE 4.41Å; F51-M115 HydrophobicContact CE1-SD 3.38Å; F51-M115 WeakPolarHBondContact CE1-SD 3.41Å; F51-M115 HydrophobicContact CZ-SD 4.06Å; V55-M115 HydrophobicContact CB-CE 4.08Å; V55-M115 HydrophobicContact CB-CG 4.48Å; V55-M115 HydrophobicContact CG1-CE 3.84Å; V55-M115 HydrophobicContact CG1-CG 3.86Å; V55-M115 HydrophobicContact CG1-SD 4.46Å; V55-M115 HydrophobicContact CG2-CE 3.88Å; V55-M115 HydrophobicContact CG2-CG 3.83Å; V55-M115 HydrophobicContact CG2-SD 3.88Å; V111-M115 WeakPolarHBondContact O-CB 3.34Å; V111-M115 PolarHBondContact O-N 2.82Å; G112-M115 PolarHBondContact O-N 3.15Å; M115-F118 PolarHBondContact O-N 3.44Å; M115-W119 WeakPolarHBondContact O-CB 3.18Å; M115-W119 PolarHBondContact O-N 3.29Å |
| 116 | S | 79.6 | Confident | 77.6 | Confident | 83 Ų | 83 | 81 Ų | 81 | 58% | 0.58 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | G112 W113 I114 G120 | G112-S116 WeakPolarHBondContact O-CB 3.46Å; G112-S116 PolarHBondContact O-N 3.23Å; W113-S116 WeakPolarHBondContact O-CB 3.39Å; W113-S116 PolarHBondContact O-N 2.86Å; I114-S116 PolarHBondContact O-N 3.5Å; S116-G120 PolarHBondContact O-N 2.87Å |
| 117 | I | 79.9 | Confident | 77.6 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 177.1 | -70.1 | 172.2 | 0 | 0 | 0 | 109.8 | W113 I114 G120 M121 | W113-I117 HydrophobicContact CE3-CD1 3.76Å; W113-I117 HydrophobicContact CZ3-CD1 3.89Å; W113-I117 WeakPolarHBondContact O-CG1 3.45Å; W113-I117 PolarHBondContact O-N 2.85Å; I114-I117 PolarHBondContact O-N 3.3Å; I117-G120 CarbonylContact O-C 3.58Å; I117-G120 PolarHBondContact O-N 3.49Å; I117-M121 HydrophobicContact CG2-CG 4.42Å; I117-M121 HydrophobicContact CG2-SD 4.05Å; I117-M121 WeakPolarHBondContact O-CG 3.35Å; I117-M121 PolarHBondContact O-N 3.38Å |
| 118 | F | 74.9 | Confident | 77.8 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 33% | 0.329 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.8 | -34.5 | -177.4 | -77.7 | -77.4 | 0 | 0 | 0 | 113.7 | F51 I114 M115 G120 M121 D122 | F51-F118 HydrophobicContact CD1-CB 4.01Å; F51-F118 HydrophobicContact CD2-CB 3.83Å; F51-F118 AromaticContact CD2-CD1 3.59Å; F51-F118 HydrophobicContact CD2-CD1 3.59Å; F51-F118 HydrophobicContact CD2-CD2 4.21Å; F51-F118 HydrophobicContact CD2-CE1 4.03Å; F51-F118 AromaticContact CD2-CG 3.69Å; F51-F118 HydrophobicContact CD2-CG 3.69Å; F51-F118 HydrophobicContact CD2-CZ 4.49Å; F51-F118 HydrophobicContact CE1-CB 3.22Å; F51-F118 HydrophobicContact CE1-CD2 4.24Å; F51-F118 AromaticContact CE1-CG 3.92Å; F51-F118 HydrophobicContact CE1-CG 3.92Å; F51-F118 HydrophobicContact CE2-CB 3.18Å; F51-F118 AromaticContact CE2-CD1 3.16Å; F51-F118 HydrophobicContact CE2-CD1 3.16Å; F51-F118 AromaticContact CE2-CD2 3.03Å; F51-F118 HydrophobicContact CE2-CD2 3.03Å; F51-F118 AromaticContact CE2-CE1 3.58Å; F51-F118 HydrophobicContact CE2-CE1 3.58Å; F51-F118 AromaticContact CE2-CE2 3.44Å; F51-F118 HydrophobicContact CE2-CE2 3.44Å; F51-F118 VanDerWaalsContact CE2-CE2 3.44Å; F51-F118 AromaticContact CE2-CG 2.85Å; F51-F118 HydrophobicContact CE2-CG 2.85Å; F51-F118 AromaticContact CE2-CZ 3.7Å; F51-F118 HydrophobicContact CE2-CZ 3.7Å; F51-F118 HydrophobicContact CG-CB 4.3Å; F51-F118 HydrophobicContact CZ-CB 2.86Å; F51-F118 AromaticContact CZ-CD1 3.85Å; F51-F118 HydrophobicContact CZ-CD1 3.85Å; F51-F118 AromaticContact CZ-CD2 3.06Å; F51-F118 HydrophobicContact CZ-CD2 3.06Å; F51-F118 AromaticContact CZ-CE2 3.86Å; F51-F118 HydrophobicContact CZ-CE2 3.86Å; F51-F118 AromaticContact CZ-CG 3.03Å; F51-F118 HydrophobicContact CZ-CG 3.03Å; I114-F118 HydrophobicContact CG2-CD2 3.49Å; I114-F118 VanDerWaalsContact CG2-CD2 3.49Å; I114-F118 HydrophobicContact CG2-CE2 3.33Å; I114-F118 WeakPolarHBondContact O-CD2 3.24Å; I114-F118 PolarHBondContact O-N 2.88Å; M115-F118 PolarHBondContact O-N 3.44Å; F118-G120 VanDerWaalsContact C-N 3.3Å; F118-M121 PolarHBondContact O-N 3.43Å; F118-D122 WeakPolarHBondContact O-CB 3.45Å; F118-D122 PolarHBondContact O-N 3.3Å |
| 119 | W | 77.7 | Confident | 77.8 | Confident | 181 Ų | 181 | 84 Ų | 84 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 167.5 | -101.7 | 76.3 | 0 | 0 | 0 | 111.3 | M115 D122 M123 | M115-W119 WeakPolarHBondContact O-CB 3.18Å; M115-W119 PolarHBondContact O-N 3.29Å; W119-D122 PolarHBondContact O-N 3.32Å; W119-M123 WeakPolarHBondContact O-CB 3.26Å; W119-M123 PolarHBondContact O-N 3.48Å |
| 120 | G | 78.6 | Confident | 77.5 | Confident | 38 Ų | 38 | 85.6 Ų | 85.6 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S116 I117 F118 V124 | S116-G120 PolarHBondContact O-N 2.87Å; I117-G120 CarbonylContact O-C 3.58Å; I117-G120 PolarHBondContact O-N 3.49Å; F118-G120 VanDerWaalsContact C-N 3.3Å; G120-V124 VanDerWaalsContact O-CG2 3.24Å; G120-V124 WeakPolarHBondContact O-CG2 3.45Å; G120-V124 PolarHBondContact O-N 2.79Å |
| 121 | M | 74.4 | Confident | 77.2 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.1 | -72.2 | 179.9 | 63.8 | 0 | 0 | 112.5 | I117 F118 V124 I125 | I117-M121 HydrophobicContact CG2-CG 4.42Å; I117-M121 HydrophobicContact CG2-SD 4.05Å; I117-M121 WeakPolarHBondContact O-CG 3.35Å; I117-M121 PolarHBondContact O-N 3.38Å; F118-M121 PolarHBondContact O-N 3.43Å; M121-V124 PolarHBondContact O-N 3.39Å; M121-I125 WeakPolarHBondContact O-CB 3.47Å; M121-I125 WeakPolarHBondContact O-CD1 3.21Å; M121-I125 WeakPolarHBondContact O-CG1 3.42Å; M121-I125 PolarHBondContact O-N 2.99Å |
| 122 | D | 73.5 | Confident | 76.8 | Confident | 104 Ų | 104 | 89.6 Ų | 89.6 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 179 | -169.5 | 65.3 | 0 | 0 | 0 | 111 | F118 W119 V124 I125 L126 | F118-D122 WeakPolarHBondContact O-CB 3.45Å; F118-D122 PolarHBondContact O-N 3.3Å; W119-D122 PolarHBondContact O-N 3.32Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 3.46Å; D122-I125 PolarHBondContact O-N 2.84Å; D122-L126 VanDerWaalsContact O-CB 3.29Å; D122-L126 WeakPolarHBondContact O-CB 3.24Å; D122-L126 PolarHBondContact O-N 2.88Å |
| 123 | M | 78.4 | Confident | 76.2 | Confident | 141 Ų | 141 | 95.4 Ų | 95.4 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 175.5 | -156.3 | -172 | 165.7 | 0 | 0 | 111.7 | W119 A127 | W119-M123 WeakPolarHBondContact O-CB 3.26Å; W119-M123 PolarHBondContact O-N 3.48Å; M123-A127 WeakPolarHBondContact O-CB 3.37Å; M123-A127 PolarHBondContact O-N 3.16Å |
| 124 | V | 80.4 | Confident | 75.3 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | G120 M121 D122 L126 A127 I128 | G120-V124 VanDerWaalsContact O-CG2 3.24Å; G120-V124 WeakPolarHBondContact O-CG2 3.45Å; G120-V124 PolarHBondContact O-N 2.79Å; M121-V124 PolarHBondContact O-N 3.39Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 3.46Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.34Å; V124-A127 PolarHBondContact O-N 3.02Å; V124-I128 HydrophobicContact CG1-CD1 3.81Å; V124-I128 HydrophobicContact CG1-CG1 4.46Å; V124-I128 VanDerWaalsContact O-CG1 3.32Å; V124-I128 WeakPolarHBondContact O-CG1 3.4Å; V124-I128 PolarHBondContact O-N 3.22Å |
| 125 | I | 77.6 | Confident | 74.3 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.9 | -70.8 | 162.3 | 0 | 0 | 0 | 110.2 | M121 D122 I128 S129 | M121-I125 WeakPolarHBondContact O-CB 3.47Å; M121-I125 WeakPolarHBondContact O-CD1 3.21Å; M121-I125 WeakPolarHBondContact O-CG1 3.42Å; M121-I125 PolarHBondContact O-N 2.99Å; D122-I125 PolarHBondContact O-N 2.84Å; I125-I128 PolarHBondContact O-N 2.96Å; I125-S129 VanDerWaalsContact O-CB 3.31Å; I125-S129 WeakPolarHBondContact O-CB 3.32Å; I125-S129 PolarHBondContact O-N 3.06Å |
| 126 | L | 78.7 | Confident | 73.3 | Confident | 98 Ų | 98 | 103.3 Ų | 103.3 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.3 | -172.8 | 68.6 | 0 | 0 | 0 | 110.8 | D122 V124 I128 S129 Q130 | D122-L126 VanDerWaalsContact O-CB 3.29Å; D122-L126 WeakPolarHBondContact O-CB 3.24Å; D122-L126 PolarHBondContact O-N 2.88Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.34Å; L126-I128 PolarHBondContact O-N 3.24Å; L126-S129 PolarHBondContact O-N 3.39Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 2.85Å |
| 127 | A | 80.3 | Confident | 72 | Confident | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M123 V124 Q130 G131 | M123-A127 WeakPolarHBondContact O-CB 3.37Å; M123-A127 PolarHBondContact O-N 3.16Å; V124-A127 PolarHBondContact O-N 3.02Å; A127-Q130 PolarHBondContact O-N 3.35Å; A127-G131 PolarHBondContact O-N 2.97Å |
| 128 | I | 79.8 | Confident | 70.3 | Confident | 97 Ų | 97 | 106.6 Ų | 106.6 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 175.7 | -66.6 | 166.7 | 0 | 0 | 0 | 110.4 | V124 I125 L126 Q130 G131 Y132 | V124-I128 HydrophobicContact CG1-CD1 3.81Å; V124-I128 HydrophobicContact CG1-CG1 4.46Å; V124-I128 VanDerWaalsContact O-CG1 3.32Å; V124-I128 WeakPolarHBondContact O-CG1 3.4Å; V124-I128 PolarHBondContact O-N 3.22Å; I125-I128 PolarHBondContact O-N 2.96Å; L126-I128 PolarHBondContact O-N 3.24Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 2.9Å; I128-G131 PolarHBondContact O-N 2.95Å; I128-Y132 HydrophobicContact CG2-CD2 3.92Å; I128-Y132 HydrophobicContact CG2-CE2 3.94Å; I128-Y132 WeakPolarHBondContact O-CD2 3.35Å; I128-Y132 PolarHBondContact O-N 3.05Å |
| 129 | S | 76.4 | Confident | 68.8 | Low | 66 Ų | 66 | 110.5 Ų | 110.5 | 46% | 0.462 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63 | -38.7 | -179.9 | -163 | 0 | 0 | 0 | 0 | 112.1 | I125 L126 Y132 K133 | I125-S129 VanDerWaalsContact O-CB 3.31Å; I125-S129 WeakPolarHBondContact O-CB 3.32Å; I125-S129 PolarHBondContact O-N 3.06Å; L126-S129 PolarHBondContact O-N 3.39Å; S129-Y132 PolarHBondContact O-N 2.98Å; S129-K133 PolarHBondContact O-N 3.47Å; S129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 75.9 | Confident | 66.9 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.3 | -41.8 | 174.2 | -66.6 | -134.2 | -34.1 | 0 | 0 | 112.2 | L126 A127 I128 Y132 K133 E134 | L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 2.85Å; A127-Q130 PolarHBondContact O-N 3.35Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 2.9Å; Q130-Y132 VanDerWaalsContact C-N 3.3Å; Q130-Y132 PolarHBondContact O-N 3.45Å; Q130-K133 WeakPolarHBondContact O-CB 3.4Å; Q130-K133 PolarHBondContact O-N 3.5Å; Q130-E134 PolarHBondContact O-N 3.28Å |
| 131 | G | 71.7 | Confident | 65 | Low | 34 Ų | 34 | 119.1 Ų | 119.1 | 35% | 0.351 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.3 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A127 I128 E134 Q135 | A127-G131 PolarHBondContact O-N 2.97Å; I128-G131 PolarHBondContact O-N 2.95Å; G131-E134 PolarHBondContact O-N 3.48Å; G131-Q135 PolarHBondContact O-N 3.35Å |
| 132 | Y | 67.7 | Low | 64.5 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.1 | -35 | 172.3 | -90.1 | -80.5 | 0 | 0 | 0 | 113.1 | I128 S129 Q130 Q135 G136 | I128-Y132 HydrophobicContact CG2-CD2 3.92Å; I128-Y132 HydrophobicContact CG2-CE2 3.94Å; I128-Y132 WeakPolarHBondContact O-CD2 3.35Å; I128-Y132 PolarHBondContact O-N 3.05Å; S129-Y132 PolarHBondContact O-N 2.98Å; Q130-Y132 VanDerWaalsContact C-N 3.3Å; Q130-Y132 PolarHBondContact O-N 3.45Å; Y132-Q135 PolarHBondContact O-N 3.07Å; Y132-G136 PolarHBondContact O-N 3.21Å |
| 133 | K | 62.8 | Low | 64 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.3 | -35.7 | 176.1 | -72.4 | -165.6 | 85.3 | 98.3 | 0 | 112.3 | S129 Q130 | S129-K133 PolarHBondContact O-N 3.47Å; S129-K133 VanDerWaalsContact O-N 3.11Å; Q130-K133 WeakPolarHBondContact O-CB 3.4Å; Q130-K133 PolarHBondContact O-N 3.5Å |
| 134 | E | 61.4 | Low | 63.2 | Low | 164 Ų | 164 | 120.6 Ų | 120.6 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.8 | -42.3 | 174.3 | -98.7 | -164.2 | 104.3 | 0 | 0 | 112.2 | Q130 G131 G136 I137 | Q130-E134 PolarHBondContact O-N 3.28Å; G131-E134 PolarHBondContact O-N 3.48Å; E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 2.86Å; E134-I137 PolarHBondContact O-N 3.33Å |
| 135 | Q | 56.7 | Low | 62.2 | Low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.2 | -19.6 | 178.3 | -67.2 | -168 | -8.3 | 0 | 0 | 113.7 | G131 Y132 I137 | G131-Q135 PolarHBondContact O-N 3.35Å; Y132-Q135 PolarHBondContact O-N 3.07Å; Q135-I137 VanDerWaalsContact C-N 3.29Å; Q135-I137 PolarHBondContact O-N 3.48Å |
| 136 | G | 53.7 | Low | 61.3 | Low | 54 Ų | 54 | 124.4 Ų | 124.4 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 4.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y132 E134 P138 | Y132-G136 PolarHBondContact O-N 3.21Å; E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 2.86Å; G136-P138 WeakPolarHBondContact O-CD 3.25Å |
| 137 | I | 52.3 | Low | 60.1 | Low | 138 Ų | 138 | 126.1 Ų | 126.1 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | trans | -101.3 | 76.3 | 168.2 | -53.5 | 171.3 | 0 | 0 | 0 | 109.6 | E134 Q135 | E134-I137 PolarHBondContact O-N 3.33Å; Q135-I137 VanDerWaalsContact C-N 3.29Å; Q135-I137 PolarHBondContact O-N 3.48Å | ||
| 138 | P | 43.4 | Very low | 58.7 | Low | 100 Ų | 100 | 130.5 Ų | 130.5 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | trans | -77.3 | 116.3 | 152.8 | 30.9 | -25.8 | 0 | 0 | 0 | 108 | G136 Q140 | G136-P138 WeakPolarHBondContact O-CD 3.25Å; P138-Q140 PolarHBondContact O-N 2.72Å | ||
| 139 | Q | 43.6 | Very low | 57 | Low | 156 Ų | 156 | 133.1 Ų | 133.1 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | trans | 21.9 | 88.6 | 149 | -76.1 | -96.6 | -76.3 | 0 | 0 | 116.1 | ||||
| 140 | Q | 38.3 | Very low | 55.4 | Low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | trans | -88.3 | 72.7 | 143.6 | -78.9 | -80.9 | -34.1 | 0 | 0 | 106.9 | P138 | P138-Q140 PolarHBondContact O-N 2.72Š| ||
| 141 | L | 37.7 | Very low | 53.6 | Low | 205 Ų | 205 | 139.8 Ų | 139.8 | 100% | 1.073 | 72% | 0.715 | S | S | * | * | trans | -152.8 | 0 | 159.2 | -161.9 | 76.5 | 0 | 0 | 0 | 109.4 |
Retrieved 141 of 141 residues in 91.6 ms
(Link to these results)