| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.8 | Very low | 35.6 | Very low | 232 Ų | 232 | 148 Ų | 148 | 100% | 1.143 | 75% | 0.752 | S | S | * | * | 0 | 16.6 | 0 | -155.6 | 164.8 | 92.4 | 0 | 0 | 113.9 | |||||
| 2 | I | 33.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -120.7 | -18.8 | -174.2 | -65.1 | 175.3 | 0 | 0 | 0 | 114.1 | ||||
| 3 | L | 32.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -80.8 | -22.6 | -176.9 | -81.2 | 158.6 | 0 | 0 | 0 | 115.5 | ||
| 4 | L | 34.3 | Very low | 36.3 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -86.4 | -9.8 | -178.2 | -87.2 | 157.9 | 0 | 0 | 0 | 114.8 | R6 | L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.27Å |
| 5 | K | 33.5 | Very low | 36.7 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -75 | -18.8 | -177.5 | -97.7 | -174.7 | 175.5 | -177.3 | 0 | 113.8 | S9 | K5-S9 PolarHBondContact O-OG 3.37Š|
| 6 | R | 29.7 | Very low | 37 | Very low | 217 Ų | 217 | 139.7 Ų | 139.7 | 82% | 0.819 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -30.4 | -170 | -126 | 176.8 | -178.2 | 177.3 | -0.2 | 114.5 | L4 S9 | L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.27Å; R6-S9 PolarHBondContact O-OG 3.26Å |
| 7 | E | 32.2 | Very low | 37.6 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -25.1 | -177.3 | -72.2 | -172.9 | 157.9 | 0 | 0 | 113.9 | S9 | E7-S9 VanDerWaalsContact C-N 3.29Å; E7-S9 PolarHBondContact O-N 3.18Å |
| 8 | V | 41.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -74.5 | -21.2 | 180 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | T10 | V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.08Å |
| 9 | S | 41 | Very low | 39.2 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 57% | 0.573 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -76.4 | -11.4 | -176.4 | 22 | 0 | 0 | 0 | 0 | 115.1 | K5 R6 E7 | K5-S9 PolarHBondContact O-OG 3.37Å; R6-S9 PolarHBondContact O-OG 3.26Å; E7-S9 VanDerWaalsContact C-N 3.29Å; E7-S9 PolarHBondContact O-N 3.18Å |
| 10 | T | 37.9 | Very low | 40 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 66% | 0.663 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -129.9 | 51.2 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | V8 N12 | V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.08Å; T10-N12 VanDerWaalsContact C-N 3.26Å; T10-N12 PolarHBondContact O-N 3.03Å |
| 11 | V | 43.7 | Very low | 40.6 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | trans | -55.7 | 106.9 | 151.1 | 179.2 | 0 | 0 | 0 | 0 | 105.3 | Y13 L16 | V11-Y13 WeakPolarHBondContact O-CD2 3.41Å; V11-Y13 PolarHBondContact O-N 3.43Å; V11-L16 HydrophobicContact CG1-CD1 4.27Å | ||
| 12 | N | 38.5 | Very low | 41.7 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | trans | -63 | 96.8 | -167.9 | -160.4 | -9.1 | 0 | 0 | 0 | 108.1 | T10 K14 M15 | T10-N12 VanDerWaalsContact C-N 3.26Å; T10-N12 PolarHBondContact O-N 3.03Å; N12-K14 PolarHBondContact O-N 3.47Å; N12-M15 HydrophobicContact CB-CB 4.42Å; N12-M15 WeakPolarHBondContact O-CB 3.47Å; N12-M15 PolarHBondContact O-N 3.08Å | ||
| 13 | Y | 36.6 | Very low | 43.1 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -55.2 | -22.2 | -174.9 | -80.5 | -88.1 | 0 | 0 | 0 | 113.1 | V11 M15 L16 | V11-Y13 WeakPolarHBondContact O-CD2 3.41Å; V11-Y13 PolarHBondContact O-N 3.43Å; Y13-M15 VanDerWaalsContact C-N 3.35Å; Y13-L16 HydrophobicContact CD1-CD1 4.31Å |
| 14 | K | 42.4 | Very low | 44.4 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.4 | -34 | 171.7 | -86.5 | -177 | 175.6 | 177.8 | 0 | 113.1 | N12 R17 | N12-K14 PolarHBondContact O-N 3.47Å; K14-R17 PolarHBondContact O-N 3.49Å |
| 15 | M | 41.9 | Very low | 45.5 | Very low | 149 Ų | 149 | 115.6 Ų | 115.6 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74 | -28.9 | -179.3 | -133.4 | 171.7 | 175.6 | 0 | 0 | 111.9 | N12 Y13 R17 R18 | N12-M15 HydrophobicContact CB-CB 4.42Å; N12-M15 WeakPolarHBondContact O-CB 3.47Å; N12-M15 PolarHBondContact O-N 3.08Å; Y13-M15 VanDerWaalsContact C-N 3.35Å; M15-R17 VanDerWaalsContact C-N 3.26Å; M15-R17 PolarHBondContact O-N 3.38Å; M15-R18 PolarHBondContact O-N 2.96Å |
| 16 | L | 41.6 | Very low | 46.7 | Very low | 34 Ų | 34 | 109.9 Ų | 109.9 | 18% | 0.178 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -63.3 | -26.9 | 175.4 | -82.1 | 161 | 0 | 0 | 0 | 113.6 | V11 Y13 R18 T19 | V11-L16 HydrophobicContact CG1-CD1 4.27Å; Y13-L16 HydrophobicContact CD1-CD1 4.31Å; L16-R18 PolarHBondContact O-N 3.12Å; L16-R18 VanDerWaalsContact O-N 3.09Å; L16-T19 HydrophobicContact CD2-CG2 4.17Å; L16-T19 PolarHBondContact O-N 3Å; L16-T19 PolarHBondContact O-OG1 3.38Å |
| 17 | R | 47.6 | Very low | 48 | Very low | 201 Ų | 201 | 107.7 Ų | 107.7 | 76% | 0.758 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.3 | -179.2 | -80.7 | -169.3 | -163.4 | -177.8 | 4.5 | 114.2 | K14 M15 | K14-R17 PolarHBondContact O-N 3.49Å; M15-R17 VanDerWaalsContact C-N 3.26Å; M15-R17 PolarHBondContact O-N 3.38Å |
| 18 | R | 51.7 | Low | 49.2 | Very low | 236 Ų | 236 | 101.6 Ų | 101.6 | 89% | 0.891 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | 27.5 | 179.4 | -68.6 | -170.8 | 176.8 | -179.9 | -0.7 | 112.2 | M15 L16 | M15-R18 PolarHBondContact O-N 2.96Å; L16-R18 PolarHBondContact O-N 3.12Å; L16-R18 VanDerWaalsContact O-N 3.09Å |
| 19 | T | 53.6 | Low | 49.9 | Very low | 38 Ų | 38 | 96.7 Ų | 96.7 | 23% | 0.233 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -77.5 | 147.1 | 171.3 | 53 | 0 | 0 | 0 | 0 | 109.7 | L16 L21 M22 T23 | L16-T19 HydrophobicContact CD2-CG2 4.17Å; L16-T19 PolarHBondContact O-N 3Å; L16-T19 PolarHBondContact O-OG1 3.38Å; T19-L21 PolarHBondContact O-N 2.95Å; T19-M22 WeakPolarHBondContact O-CB 3.21Å; T19-M22 PolarHBondContact O-N 3.49Å; T19-T23 PolarHBondContact O-N 3.32Å |
| 20 | P | 54.2 | Low | 50.8 | Low | 100 Ų | 100 | 96.8 Ų | 96.8 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.9 | -27.5 | 173.6 | 19.5 | -30.9 | 0 | 0 | 0 | 112.1 | T23 I24 | P20-T23 WeakPolarHBondContact O-CB 3.46Å; P20-T23 PolarHBondContact O-N 3.49Å; P20-I24 VanDerWaalsContact O-CG1 3.29Å; P20-I24 WeakPolarHBondContact O-CG1 3.44Å; P20-I24 PolarHBondContact O-N 3.24Å |
| 21 | L | 53.8 | Low | 51.5 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 172.5 | -159.4 | 108.4 | 0 | 0 | 0 | 112.7 | T19 T23 I24 M25 I51 | T19-L21 PolarHBondContact O-N 2.95Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 3.47Å; L21-I24 PolarHBondContact O-N 3.25Å; L21-M25 HydrophobicContact CD2-SD 4.12Å; L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.87Å; L21-I51 HydrophobicContact CD1-CG2 4.29Å; L21-I51 HydrophobicContact CD2-CD1 4.15Å; L21-I51 HydrophobicContact CD2-CG2 3.97Å |
| 22 | M | 55.1 | Low | 52.1 | Low | 46 Ų | 46 | 92.8 Ų | 92.8 | 23% | 0.227 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 176 | -162 | 76.7 | -172.4 | 0 | 0 | 110.9 | T19 M25 D26 L44 | T19-M22 WeakPolarHBondContact O-CB 3.21Å; T19-M22 PolarHBondContact O-N 3.49Å; M22-M25 PolarHBondContact O-N 3.46Å; M22-D26 WeakPolarHBondContact O-CB 3.42Å; M22-D26 PolarHBondContact O-N 3.42Å; M22-L44 HydrophobicContact CE-CD1 4.43Å |
| 23 | T | 61.9 | Low | 53.1 | Low | 94 Ų | 94 | 96.4 Ų | 96.4 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 174.7 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | T19 P20 L21 D26 W27 | T19-T23 PolarHBondContact O-N 3.32Å; P20-T23 WeakPolarHBondContact O-CB 3.46Å; P20-T23 PolarHBondContact O-N 3.49Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 3.47Å; T23-D26 PolarHBondContact O-N 3.37Å; T23-W27 WeakPolarHBondContact O-CB 3.22Å; T23-W27 PolarHBondContact O-N 3.44Å |
| 24 | I | 59.3 | Low | 53.9 | Low | 99 Ų | 99 | 90.4 Ų | 90.4 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 175 | -66.9 | 162.6 | 0 | 0 | 0 | 110.2 | P20 L21 D26 W27 E28 | P20-I24 VanDerWaalsContact O-CG1 3.29Å; P20-I24 WeakPolarHBondContact O-CG1 3.44Å; P20-I24 PolarHBondContact O-N 3.24Å; L21-I24 PolarHBondContact O-N 3.25Å; I24-D26 PolarHBondContact O-N 2.68Å; I24-W27 WeakPolarHBondContact O-CB 3.19Å; I24-W27 PolarHBondContact O-N 2.61Å; I24-E28 PolarHBondContact O-N 2.77Å |
| 25 | M | 57.4 | Low | 54.9 | Low | 4 Ų | 4 | 91.2 Ų | 91.2 | 2% | 0.02 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 177 | -71.1 | 179.7 | 57.4 | 0 | 0 | 112.5 | L21 M22 W27 E28 V29 L44 I47 K48 I51 | L21-M25 HydrophobicContact CD2-SD 4.12Å; L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.87Å; M22-M25 PolarHBondContact O-N 3.46Å; M25-W27 VanDerWaalsContact C-N 3.31Å; M25-W27 PolarHBondContact O-N 3.18Å; M25-E28 PolarHBondContact O-N 2.86Å; M25-V29 WeakPolarHBondContact O-CG2 3.31Å; M25-V29 PolarHBondContact O-N 3.14Å; M25-L44 HydrophobicContact CB-CD2 3.76Å; M25-L44 HydrophobicContact CE-CB 4.37Å; M25-L44 HydrophobicContact CE-CD2 3.87Å; M25-L44 WeakPolarHBondContact CE-O 3.33Å; M25-I47 HydrophobicContact CE-CB 3.65Å; M25-I47 HydrophobicContact CE-CG2 3.5Å; M25-I47 HydrophobicContact CG-CG2 4.06Å; M25-I47 HydrophobicContact SD-CG2 3.97Å; M25-K48 HydrophobicContact CE-CB 3.97Å; M25-K48 HydrophobicContact SD-CB 4.49Å; M25-I51 HydrophobicContact CG-CD1 4.33Å; M25-I51 HydrophobicContact SD-CD1 3.96Å |
| 26 | D | 58.9 | Low | 55.9 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.8 | -85.2 | -33.3 | 0 | 0 | 0 | 111.3 | M22 T23 I24 T30 | M22-D26 WeakPolarHBondContact O-CB 3.42Å; M22-D26 PolarHBondContact O-N 3.42Å; T23-D26 PolarHBondContact O-N 3.37Å; I24-D26 PolarHBondContact O-N 2.68Å; D26-T30 VanDerWaalsContact O-CB 3.28Å; D26-T30 WeakPolarHBondContact O-CB 3.21Å; D26-T30 PolarHBondContact O-N 3.01Å; D26-T30 PolarHBondContact O-OG1 2.83Å |
| 27 | W | 58.5 | Low | 57.2 | Low | 171 Ų | 171 | 97.7 Ų | 97.7 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 175.1 | -179.4 | 83.2 | 0 | 0 | 0 | 112 | T23 I24 M25 T30 T31 | T23-W27 WeakPolarHBondContact O-CB 3.22Å; T23-W27 PolarHBondContact O-N 3.44Å; I24-W27 WeakPolarHBondContact O-CB 3.19Å; I24-W27 PolarHBondContact O-N 2.61Å; M25-W27 VanDerWaalsContact C-N 3.31Å; M25-W27 PolarHBondContact O-N 3.18Å; W27-T30 PolarHBondContact O-N 3.36Å; W27-T31 HydrophobicContact CD2-CG2 4.21Å; W27-T31 HydrophobicContact CH2-CG2 4.37Å; W27-T31 HydrophobicContact CZ2-CG2 3.92Å; W27-T31 PolarHBondContact O-N 2.88Å; W27-T31 PolarHBondContact O-OG1 2.91Å |
| 28 | E | 56.4 | Low | 58.1 | Low | 32 Ų | 32 | 92.6 Ų | 92.6 | 15% | 0.15 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.2 | -78.1 | -170.8 | 162.7 | 0 | 0 | 112.2 | I24 M25 T30 T31 L32 I108 | I24-E28 PolarHBondContact O-N 2.77Å; M25-E28 PolarHBondContact O-N 2.86Å; E28-T30 PolarHBondContact O-N 3.34Å; E28-T31 WeakPolarHBondContact CA-OG1 3.49Å; E28-T31 PolarHBondContact O-N 3.19Å; E28-T31 PolarHBondContact O-OG1 3.18Å; E28-L32 WeakPolarHBondContact O-CB 3.36Å; E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.32Å; E28-L32 PolarHBondContact O-N 3.17Å; E28-I108 WeakPolarHBondContact OE1-CD1 3.46Å |
| 29 | V | 55.2 | Low | 58.6 | Low | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.3 | -27.1 | 179.3 | -179 | 0 | 0 | 0 | 0 | 112 | M25 V34 K40 L43 L44 | M25-V29 WeakPolarHBondContact O-CG2 3.31Å; M25-V29 PolarHBondContact O-N 3.14Å; V29-V34 HydrophobicContact CG1-CB 4.12Å; V29-V34 HydrophobicContact CG1-CG2 4.29Å; V29-K40 HydrophobicContact CG1-CB 3.91Å; V29-K40 HydrophobicContact CG1-CD 3.81Å; V29-K40 HydrophobicContact CG1-CG 3.54Å; V29-L43 HydrophobicContact CG2-CB 4.45Å; V29-L44 HydrophobicContact CB-CD2 4.34Å; V29-L44 HydrophobicContact CG2-CD2 3.63Å; V29-L44 HydrophobicContact CG2-CG 3.96Å |
| 30 | T | 59.8 | Low | 58.9 | Low | 84 Ų | 84 | 86.1 Ų | 86.1 | 52% | 0.515 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -77.2 | -39.9 | 174.7 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | D26 W27 E28 L32 K33 K40 | D26-T30 VanDerWaalsContact O-CB 3.28Å; D26-T30 WeakPolarHBondContact O-CB 3.21Å; D26-T30 PolarHBondContact O-N 3.01Å; D26-T30 PolarHBondContact O-OG1 2.83Å; W27-T30 PolarHBondContact O-N 3.36Å; E28-T30 PolarHBondContact O-N 3.34Å; T30-L32 VanDerWaalsContact C-N 3.3Å; T30-L32 PolarHBondContact O-N 2.76Å; T30-K33 PolarHBondContact O-N 2.98Å; T30-K40 PolarHBondContact OG1-NZ 3.42Å |
| 31 | T | 54.3 | Low | 59.5 | Low | 75 Ų | 75 | 85 Ų | 85 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 172.9 | 41.6 | 0 | 0 | 0 | 0 | 112.2 | W27 E28 K33 | W27-T31 HydrophobicContact CD2-CG2 4.21Å; W27-T31 HydrophobicContact CH2-CG2 4.37Å; W27-T31 HydrophobicContact CZ2-CG2 3.92Å; W27-T31 PolarHBondContact O-N 2.88Å; W27-T31 PolarHBondContact O-OG1 2.91Å; E28-T31 WeakPolarHBondContact CA-OG1 3.49Å; E28-T31 PolarHBondContact O-N 3.19Å; E28-T31 PolarHBondContact O-OG1 3.18Å; T31-K33 PolarHBondContact O-N 3.37Å; T31-K33 VanDerWaalsContact O-N 3.07Å |
| 32 | L | 54.7 | Low | 60 | Low | 39 Ų | 39 | 87.3 Ų | 87.3 | 20% | 0.204 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -3 | 169.5 | -77.6 | 167.4 | 0 | 0 | 0 | 114.5 | E28 T30 V34 H112 I115 | E28-L32 WeakPolarHBondContact O-CB 3.36Å; E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.32Å; E28-L32 PolarHBondContact O-N 3.17Å; T30-L32 VanDerWaalsContact C-N 3.3Å; T30-L32 PolarHBondContact O-N 2.76Å; L32-V34 HydrophobicContact CB-CG2 3.82Å; L32-V34 PolarHBondContact O-N 3.35Å; L32-V34 VanDerWaalsContact O-N 3.11Å; L32-H112 WeakPolarHBondContact CD2-CD2 3.27Å; L32-H112 VanDerWaalsContact CD2-NE2 3.32Å; L32-H112 WeakPolarHBondContact CD2-NE2 3.42Å; L32-I115 HydrophobicContact CD1-CD1 3.82Å; L32-I115 HydrophobicContact CD2-CD1 4.14Å |
| 33 | K | 59.7 | Low | 60.4 | Low | 179 Ų | 179 | 85.8 Ų | 85.8 | 78% | 0.778 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32.4 | -179.1 | -65.1 | -176.5 | 178.5 | 178 | 0 | 113.9 | T30 T31 Q35 | T30-K33 PolarHBondContact O-N 2.98Å; T31-K33 PolarHBondContact O-N 3.37Å; T31-K33 VanDerWaalsContact O-N 3.07Å; K33-Q35 PolarHBondContact O-N 3.45Å |
| 34 | V | 54.7 | Low | 60.6 | Low | 23 Ų | 23 | 82.1 Ų | 82.1 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | trans | -73 | 95 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | V29 L32 L39 K40 L43 | V29-V34 HydrophobicContact CG1-CB 4.12Å; V29-V34 HydrophobicContact CG1-CG2 4.29Å; L32-V34 HydrophobicContact CB-CG2 3.82Å; L32-V34 PolarHBondContact O-N 3.35Å; L32-V34 VanDerWaalsContact O-N 3.11Å; V34-L39 HydrophobicContact CG1-CB 3.9Å; V34-L39 HydrophobicContact CG1-CD2 3.91Å; V34-L39 HydrophobicContact CG1-CG 3.89Å; V34-K40 HydrophobicContact CB-CB 4.5Å; V34-K40 HydrophobicContact CG1-CB 4Å; V34-L43 HydrophobicContact CG1-CD1 4.34Å; V34-L43 HydrophobicContact CG2-CD1 3.85Å | ||
| 35 | Q | 62 | Low | 61 | Low | 189 Ų | 189 | 82.4 Ų | 82.4 | 88% | 0.883 | 40% | 0.4 | S | S | * | . | trans | -75.1 | -28.5 | 179.6 | -67.5 | -170.7 | -19.4 | 0 | 0 | 113 | K33 R37 | K33-Q35 PolarHBondContact O-N 3.45Å; Q35-R37 PolarHBondContact O-N 3.34Å; Q35-R37 VanDerWaalsContact O-N 3.17Å | ||
| 36 | N | 63.6 | Low | 61.4 | Low | 112 Ų | 112 | 84.3 Ų | 84.3 | 60% | 0.599 | 41% | 0.412 | S | S | * | . | trans | -72.1 | 109.9 | 179.7 | -80.1 | -45.6 | 0 | 0 | 0 | 110.8 | S38 L39 K40 | N36-S38 VanDerWaalsContact C-N 3.28Å; N36-S38 PolarHBondContact O-N 2.92Å; N36-L39 HydrophobicContact CB-CB 3.9Å; N36-L39 PolarHBondContact O-N 2.91Å; N36-L39 VanDerWaalsContact O-N 3.11Å; N36-K40 PolarHBondContact O-N 2.9Å | ||
| 37 | R | 68.8 | Low | 61.7 | Low | 207 Ų | 207 | 81.7 Ų | 81.7 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.3 | -39.3 | -177.7 | -173.3 | 178.3 | 178.3 | -176 | 0 | 113 | Q35 I41 | Q35-R37 PolarHBondContact O-N 3.34Å; Q35-R37 VanDerWaalsContact O-N 3.17Å; R37-I41 HydrophobicContact CG-CD1 4.02Å; R37-I41 WeakPolarHBondContact O-CB 3.33Å; R37-I41 VanDerWaalsContact O-CG1 3.28Å; R37-I41 WeakPolarHBondContact O-CG1 3.39Å; R37-I41 PolarHBondContact O-N 2.95Å |
| 38 | S | 66.9 | Low | 61.9 | Low | 94 Ų | 94 | 76.1 Ų | 76.1 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 178.1 | 64.1 | 0 | 0 | 0 | 0 | 112 | N36 I41 H42 | N36-S38 VanDerWaalsContact C-N 3.28Å; N36-S38 PolarHBondContact O-N 2.92Å; S38-I41 PolarHBondContact O-N 3.34Å; S38-H42 WeakPolarHBondContact O-CB 3.44Å; S38-H42 PolarHBondContact O-N 2.93Å |
| 39 | L | 61.7 | Low | 62.4 | Low | 78 Ų | 78 | 80.1 Ų | 80.1 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.6 | -172.5 | 64.4 | 0 | 0 | 0 | 111.1 | V34 N36 I41 H42 L43 | V34-L39 HydrophobicContact CG1-CB 3.9Å; V34-L39 HydrophobicContact CG1-CD2 3.91Å; V34-L39 HydrophobicContact CG1-CG 3.89Å; N36-L39 HydrophobicContact CB-CB 3.9Å; N36-L39 PolarHBondContact O-N 2.91Å; N36-L39 VanDerWaalsContact O-N 3.11Å; L39-I41 PolarHBondContact O-N 2.92Å; L39-H42 PolarHBondContact O-N 2.92Å; L39-L43 HydrophobicContact CG-CD1 4.13Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.87Å |
| 40 | K | 60.2 | Low | 62.8 | Low | 59 Ų | 59 | 83.1 Ų | 83.1 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 173.2 | 166.9 | 153.7 | -169.4 | 172.1 | 0 | 111.4 | V29 T30 V34 N36 L44 | V29-K40 HydrophobicContact CG1-CB 3.91Å; V29-K40 HydrophobicContact CG1-CD 3.81Å; V29-K40 HydrophobicContact CG1-CG 3.54Å; T30-K40 PolarHBondContact OG1-NZ 3.42Å; V34-K40 HydrophobicContact CB-CB 4.5Å; V34-K40 HydrophobicContact CG1-CB 4Å; N36-K40 PolarHBondContact O-N 2.9Å; K40-L44 HydrophobicContact CG-CD1 4.21Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.47Å; K40-L44 PolarHBondContact O-N 2.88Å |
| 41 | I | 67 | Low | 63.1 | Low | 76 Ų | 76 | 79.8 Ų | 79.8 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.3 | -71.4 | 168.1 | 0 | 0 | 0 | 111.5 | R37 S38 L39 L44 M45 | R37-I41 HydrophobicContact CG-CD1 4.02Å; R37-I41 WeakPolarHBondContact O-CB 3.33Å; R37-I41 VanDerWaalsContact O-CG1 3.28Å; R37-I41 WeakPolarHBondContact O-CG1 3.39Å; R37-I41 PolarHBondContact O-N 2.95Å; S38-I41 PolarHBondContact O-N 3.34Å; L39-I41 PolarHBondContact O-N 2.92Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-M45 HydrophobicContact CG2-CE 3.39Å; I41-M45 WeakPolarHBondContact O-CG 3.22Å; I41-M45 PolarHBondContact O-N 2.94Å |
| 42 | H | 64 | Low | 63.7 | Low | 111 Ų | 111 | 78.5 Ų | 78.5 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.4 | -169.5 | 75.2 | 0 | 0 | 0 | 111.6 | S38 L39 L44 M45 V46 | S38-H42 WeakPolarHBondContact O-CB 3.44Å; S38-H42 PolarHBondContact O-N 2.93Å; L39-H42 PolarHBondContact O-N 2.92Å; H42-L44 PolarHBondContact O-N 3.3Å; H42-M45 PolarHBondContact O-N 2.92Å; H42-M45 VanDerWaalsContact O-N 3.14Å; H42-V46 WeakPolarHBondContact O-CG2 3.35Å; H42-V46 PolarHBondContact O-N 3.45Å |
| 43 | L | 63.4 | Low | 64.4 | Low | 13 Ų | 13 | 80.1 Ų | 80.1 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 175.1 | -77.9 | 165.9 | 0 | 0 | 0 | 112 | V29 V34 L39 M45 V46 I47 I115 | V29-L43 HydrophobicContact CG2-CB 4.45Å; V34-L43 HydrophobicContact CG1-CD1 4.34Å; V34-L43 HydrophobicContact CG2-CD1 3.85Å; L39-L43 HydrophobicContact CG-CD1 4.13Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.87Å; L43-M45 VanDerWaalsContact C-N 3.28Å; L43-M45 PolarHBondContact O-N 3.39Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-I47 WeakPolarHBondContact O-CB 3.4Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.47Å; L43-I47 PolarHBondContact O-N 3.5Å; L43-I115 HydrophobicContact CD1-CD1 3.68Å; L43-I115 HydrophobicContact CD1-CG1 4.2Å; L43-I115 HydrophobicContact CD2-CD1 3.67Å; L43-I115 HydrophobicContact CD2-CG1 4Å; L43-I115 HydrophobicContact CG-CD1 4.35Å |
| 44 | L | 66.2 | Low | 64.7 | Low | 18 Ų | 18 | 71.8 Ų | 71.8 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.7 | -71.9 | 171.7 | 0 | 0 | 0 | 111.9 | M22 M25 V29 K40 I41 H42 K48 | M22-L44 HydrophobicContact CE-CD1 4.43Å; M25-L44 HydrophobicContact CB-CD2 3.76Å; M25-L44 HydrophobicContact CE-CB 4.37Å; M25-L44 HydrophobicContact CE-CD2 3.87Å; M25-L44 WeakPolarHBondContact CE-O 3.33Å; V29-L44 HydrophobicContact CB-CD2 4.34Å; V29-L44 HydrophobicContact CG2-CD2 3.63Å; V29-L44 HydrophobicContact CG2-CG 3.96Å; K40-L44 HydrophobicContact CG-CD1 4.21Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.47Å; K40-L44 PolarHBondContact O-N 2.88Å; I41-L44 PolarHBondContact O-N 3.39Å; H42-L44 PolarHBondContact O-N 3.3Å; L44-K48 WeakPolarHBondContact O-CB 3.13Å; L44-K48 PolarHBondContact O-N 3.45Å |
| 45 | M | 67.2 | Low | 65.3 | Low | 104 Ų | 104 | 73.7 Ų | 73.7 | 51% | 0.512 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 176.5 | -81.7 | -164.9 | -94.3 | 0 | 0 | 112.4 | I41 H42 L43 K48 I49 | I41-M45 HydrophobicContact CG2-CE 3.39Å; I41-M45 WeakPolarHBondContact O-CG 3.22Å; I41-M45 PolarHBondContact O-N 2.94Å; H42-M45 PolarHBondContact O-N 2.92Å; H42-M45 VanDerWaalsContact O-N 3.14Å; L43-M45 VanDerWaalsContact C-N 3.28Å; L43-M45 PolarHBondContact O-N 3.39Å; M45-K48 PolarHBondContact O-N 3.3Å; M45-I49 WeakPolarHBondContact O-CD1 3.43Å; M45-I49 VanDerWaalsContact O-CG1 3.23Å; M45-I49 WeakPolarHBondContact O-CG1 3.26Å; M45-I49 PolarHBondContact O-N 2.95Å |
| 46 | V | 65.5 | Low | 65.6 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 111 | H42 L43 K48 I49 Q50 H111 | H42-V46 WeakPolarHBondContact O-CG2 3.35Å; H42-V46 PolarHBondContact O-N 3.45Å; L43-V46 PolarHBondContact O-N 3.47Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 2.75Å; V46-I49 PolarHBondContact O-N 2.88Å; V46-Q50 WeakPolarHBondContact O-CG 3.36Å; V46-Q50 PolarHBondContact O-N 3.4Å; V46-H111 WeakPolarHBondContact CG1-NE2 3.35Å |
| 47 | I | 65.8 | Low | 66.1 | Low | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 176.9 | -66.3 | 167.6 | 0 | 0 | 0 | 109.9 | M25 L43 Q50 I51 | M25-I47 HydrophobicContact CE-CB 3.65Å; M25-I47 HydrophobicContact CE-CG2 3.5Å; M25-I47 HydrophobicContact CG-CG2 4.06Å; M25-I47 HydrophobicContact SD-CG2 3.97Å; L43-I47 WeakPolarHBondContact O-CB 3.4Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.47Å; L43-I47 PolarHBondContact O-N 3.5Å; I47-Q50 PolarHBondContact O-N 3.28Å; I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.49Å |
| 48 | K | 63.3 | Low | 66 | Low | 54 Ų | 54 | 64.5 Ų | 64.5 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 178.6 | -177 | -180 | 177.2 | -175.1 | 0 | 111.8 | M25 L44 M45 V46 Q50 I51 D52 | M25-K48 HydrophobicContact CE-CB 3.97Å; M25-K48 HydrophobicContact SD-CB 4.49Å; L44-K48 WeakPolarHBondContact O-CB 3.13Å; L44-K48 PolarHBondContact O-N 3.45Å; M45-K48 PolarHBondContact O-N 3.3Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 2.75Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 2.83Å; K48-I51 PolarHBondContact O-N 2.9Å; K48-D52 VanDerWaalsContact O-CB 3.31Å; K48-D52 WeakPolarHBondContact O-CB 3.17Å; K48-D52 VanDerWaalsContact O-CG 3.27Å; K48-D52 PolarHBondContact O-N 3.43Å |
| 49 | I | 66.2 | Low | 66.2 | Low | 116 Ų | 116 | 64.5 Ų | 64.5 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 178.9 | -71.2 | 164.3 | 0 | 0 | 0 | 110.5 | M45 V46 D52 S53 | M45-I49 WeakPolarHBondContact O-CD1 3.43Å; M45-I49 VanDerWaalsContact O-CG1 3.23Å; M45-I49 WeakPolarHBondContact O-CG1 3.26Å; M45-I49 PolarHBondContact O-N 2.95Å; V46-I49 PolarHBondContact O-N 2.88Å; I49-D52 PolarHBondContact O-N 3.43Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 2.68Å |
| 50 | Q | 63.2 | Low | 66.7 | Low | 64 Ų | 64 | 67 Ų | 67 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 178.7 | -72.2 | -174.5 | -25.7 | 0 | 0 | 112.1 | V46 I47 K48 D52 S53 V54 I107 H111 | V46-Q50 WeakPolarHBondContact O-CG 3.36Å; V46-Q50 PolarHBondContact O-N 3.4Å; I47-Q50 PolarHBondContact O-N 3.28Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 2.83Å; Q50-D52 VanDerWaalsContact C-N 3.33Å; Q50-D52 PolarHBondContact O-N 3.28Å; Q50-S53 PolarHBondContact O-N 3.34Å; Q50-V54 WeakPolarHBondContact O-CB 3.14Å; Q50-V54 WeakPolarHBondContact O-CG2 3.3Å; Q50-V54 PolarHBondContact O-N 3.47Å; Q50-I107 HydrophobicContact CB-CD1 3.96Å; Q50-I107 HydrophobicContact CB-CG2 4.47Å; Q50-H111 PolarHBondContact OE1-CE1 2.8Å |
| 51 | I | 67.3 | Low | 67.3 | Low | 14 Ų | 14 | 68.2 Ų | 68.2 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.4 | -64.6 | 169 | 0 | 0 | 0 | 110.5 | L21 M25 I47 K48 S53 V54 L55 | L21-I51 HydrophobicContact CD1-CG2 4.29Å; L21-I51 HydrophobicContact CD2-CD1 4.15Å; L21-I51 HydrophobicContact CD2-CG2 3.97Å; M25-I51 HydrophobicContact CG-CD1 4.33Å; M25-I51 HydrophobicContact SD-CD1 3.96Å; I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.49Å; K48-I51 PolarHBondContact O-N 2.9Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.05Å; I51-V54 PolarHBondContact O-N 3.41Å; I51-L55 HydrophobicContact CG2-CD1 3.63Å; I51-L55 HydrophobicContact CG2-CG 3.94Å; I51-L55 WeakPolarHBondContact O-CB 3.43Å; I51-L55 VanDerWaalsContact O-CG 3.28Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 3.08Å |
| 52 | D | 67.1 | Low | 67.4 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 177.3 | -77.3 | -19.7 | 0 | 0 | 0 | 111.8 | K48 I49 Q50 R56 | K48-D52 VanDerWaalsContact O-CB 3.31Å; K48-D52 WeakPolarHBondContact O-CB 3.17Å; K48-D52 VanDerWaalsContact O-CG 3.27Å; K48-D52 PolarHBondContact O-N 3.43Å; I49-D52 PolarHBondContact O-N 3.43Å; Q50-D52 VanDerWaalsContact C-N 3.33Å; Q50-D52 PolarHBondContact O-N 3.28Å; D52-R56 WeakPolarHBondContact O-CB 3.47Å; D52-R56 PolarHBondContact O-N 3.45Å |
| 53 | S | 68.7 | Low | 67.7 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 51% | 0.51 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | I49 Q50 I51 R56 E57 | I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 2.68Å; Q50-S53 PolarHBondContact O-N 3.34Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.05Å; S53-R56 PolarHBondContact O-N 2.83Å; S53-E57 PolarHBondContact O-N 3Å; S53-E57 VanDerWaalsContact O-N 3.08Å |
| 54 | V | 65.4 | Low | 68.4 | Low | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -51.2 | 179.9 | 170 | 0 | 0 | 0 | 0 | 110.1 | Q50 I51 R56 E57 M58 Y100 Y103 I107 | Q50-V54 WeakPolarHBondContact O-CB 3.14Å; Q50-V54 WeakPolarHBondContact O-CG2 3.3Å; Q50-V54 PolarHBondContact O-N 3.47Å; I51-V54 PolarHBondContact O-N 3.41Å; V54-R56 PolarHBondContact O-N 3.32Å; V54-E57 PolarHBondContact O-N 3.11Å; V54-E57 VanDerWaalsContact O-N 3.11Å; V54-M58 PolarHBondContact O-N 3.33Å; V54-Y100 HydrophobicContact CB-CE1 4.39Å; V54-Y100 HydrophobicContact CG1-CD1 3.24Å; V54-Y100 HydrophobicContact CG1-CE1 3.42Å; V54-Y100 VanDerWaalsContact CG1-CE1 3.42Å; V54-Y100 HydrophobicContact CG1-CG 4.41Å; V54-Y100 VanDerWaalsContact O-CE1 3.22Å; V54-Y100 WeakPolarHBondContact O-CE1 3.35Å; V54-Y103 HydrophobicContact CB-CD1 4.5Å; V54-Y103 HydrophobicContact CG1-CD1 4.3Å; V54-Y103 HydrophobicContact CG2-CD1 3.34Å; V54-Y103 HydrophobicContact CG2-CE1 3.27Å; V54-I107 HydrophobicContact CG2-CD1 4.21Å |
| 55 | L | 68.6 | Low | 68.6 | Low | 63 Ų | 63 | 72.9 Ų | 72.9 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.9 | -38.8 | 175.9 | -74.5 | 174.2 | 0 | 0 | 0 | 112.2 | I51 M58 I59 | I51-L55 HydrophobicContact CG2-CD1 3.63Å; I51-L55 HydrophobicContact CG2-CG 3.94Å; I51-L55 WeakPolarHBondContact O-CB 3.43Å; I51-L55 VanDerWaalsContact O-CG 3.28Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 3.08Å; L55-M58 HydrophobicContact CD2-CE 3.74Å; L55-M58 WeakPolarHBondContact O-CB 3.13Å; L55-M58 PolarHBondContact O-N 3.42Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.39Å |
| 56 | R | 68.1 | Low | 68.7 | Low | 148 Ų | 148 | 70.1 Ų | 70.1 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 176.3 | -179.6 | -175.3 | -60.3 | -106.6 | -0.2 | 111.6 | D52 S53 V54 M58 I59 F60 | D52-R56 WeakPolarHBondContact O-CB 3.47Å; D52-R56 PolarHBondContact O-N 3.45Å; S53-R56 PolarHBondContact O-N 2.83Å; V54-R56 PolarHBondContact O-N 3.32Å; R56-M58 VanDerWaalsContact C-N 3.29Å; R56-M58 PolarHBondContact O-N 2.95Å; R56-I59 PolarHBondContact O-N 2.93Å; R56-F60 HydrophobicContact CG-CD2 3.76Å; R56-F60 HydrophobicContact CG-CE2 3.48Å; R56-F60 VanDerWaalsContact CG-CE2 3.48Å; R56-F60 WeakPolarHBondContact O-CD2 3.43Å; R56-F60 PolarHBondContact O-N 3.29Å |
| 57 | E | 72.8 | Confident | 69.1 | Low | 121 Ų | 121 | 73.5 Ų | 73.5 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 176.4 | -166.3 | -179.1 | -178.8 | 0 | 0 | 111.4 | S53 V54 F60 H61 Y100 | S53-E57 PolarHBondContact O-N 3Å; S53-E57 VanDerWaalsContact O-N 3.08Å; V54-E57 PolarHBondContact O-N 3.11Å; V54-E57 VanDerWaalsContact O-N 3.11Å; E57-F60 PolarHBondContact O-N 3Å; E57-H61 PolarHBondContact O-N 2.91Å; E57-Y100 WeakPolarHBondContact CB-OH 3.41Å; E57-Y100 VanDerWaalsContact CG-OH 3.3Å; E57-Y100 WeakPolarHBondContact CG-OH 3.46Å |
| 58 | M | 68.2 | Low | 69.6 | Low | 47 Ų | 47 | 77.1 Ų | 77.1 | 23% | 0.232 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.2 | -50.2 | 173.8 | 176.6 | 164.2 | 88.1 | 0 | 0 | 113.1 | V54 L55 R56 F60 H61 L62 F96 Y100 | V54-M58 PolarHBondContact O-N 3.33Å; L55-M58 HydrophobicContact CD2-CE 3.74Å; L55-M58 WeakPolarHBondContact O-CB 3.13Å; L55-M58 PolarHBondContact O-N 3.42Å; R56-M58 VanDerWaalsContact C-N 3.29Å; R56-M58 PolarHBondContact O-N 2.95Å; M58-F60 VanDerWaalsContact C-N 3.3Å; M58-F60 PolarHBondContact O-N 3.41Å; M58-H61 PolarHBondContact O-N 3.09Å; M58-L62 HydrophobicContact CG-CD1 3.86Å; M58-L62 HydrophobicContact CG-CG 4.41Å; M58-L62 WeakPolarHBondContact O-CB 3.18Å; M58-L62 WeakPolarHBondContact O-CG 3.36Å; M58-L62 PolarHBondContact O-N 3.14Å; M58-F96 VanDerWaalsContact CA-CE1 3.41Å; M58-F96 HydrophobicContact CB-CE1 3.51Å; M58-F96 HydrophobicContact CB-CZ 4.19Å; M58-F96 HydrophobicContact CG-CD1 3.96Å; M58-F96 HydrophobicContact CG-CE1 3.38Å; M58-F96 HydrophobicContact CG-CZ 4.4Å; M58-F96 HydrophobicContact SD-CD1 4.35Å; M58-F96 HydrophobicContact SD-CE1 4.19Å; M58-Y100 HydrophobicContact CB-CD1 4.11Å; M58-Y100 HydrophobicContact CB-CE1 3.76Å; M58-Y100 PolarHBondContact N-OH 3.4Å; M58-Y100 HydrophobicContact SD-CD1 4.5Å |
| 59 | I | 71 | Confident | 69.8 | Low | 94 Ų | 94 | 75.9 Ų | 75.9 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 179.3 | -68.9 | 165.7 | 0 | 0 | 0 | 110.2 | L55 R56 L62 I63 | L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.39Å; R56-I59 PolarHBondContact O-N 2.93Å; I59-L62 PolarHBondContact O-N 3.28Å; I59-I63 HydrophobicContact CG2-CD1 3.63Å; I59-I63 HydrophobicContact CG2-CG1 4.33Å; I59-I63 WeakPolarHBondContact O-CB 3.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.13Å; I59-I63 PolarHBondContact O-N 3.26Å |
| 60 | F | 71.6 | Confident | 69.9 | Low | 131 Ų | 131 | 79.2 Ų | 79.2 | 58% | 0.575 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 176.8 | -82.5 | -61.4 | 0 | 0 | 0 | 112.6 | R56 E57 M58 I63 Y64 | R56-F60 HydrophobicContact CG-CD2 3.76Å; R56-F60 HydrophobicContact CG-CE2 3.48Å; R56-F60 VanDerWaalsContact CG-CE2 3.48Å; R56-F60 WeakPolarHBondContact O-CD2 3.43Å; R56-F60 PolarHBondContact O-N 3.29Å; E57-F60 PolarHBondContact O-N 3Å; M58-F60 VanDerWaalsContact C-N 3.3Å; M58-F60 PolarHBondContact O-N 3.41Å; F60-I63 PolarHBondContact O-N 2.99Å; F60-Y64 VanDerWaalsContact O-CB 3.32Å; F60-Y64 WeakPolarHBondContact O-CB 3.4Å; F60-Y64 PolarHBondContact O-N 3.06Å |
| 61 | H | 72.3 | Confident | 70.3 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 39% | 0.389 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 179.2 | -163.1 | -67.6 | 0 | 0 | 0 | 112.1 | E57 M58 Y64 E65 F96 | E57-H61 PolarHBondContact O-N 2.91Å; M58-H61 PolarHBondContact O-N 3.09Å; H61-Y64 PolarHBondContact O-N 3.41Å; H61-E65 IonicContact CE1-OE1 2.61Å; H61-E65 PolarHBondContact O-N 2.93Å; H61-F96 HydrophobicContact CB-CD2 4.44Å; H61-F96 HydrophobicContact CB-CE1 4.49Å; H61-F96 HydrophobicContact CB-CE2 3.48Å; H61-F96 VanDerWaalsContact CB-CE2 3.48Å; H61-F96 HydrophobicContact CB-CZ 3.47Å; H61-F96 VanDerWaalsContact CB-CZ 3.47Å; H61-F96 AromaticContact CD2-CE2 3.54Å; H61-F96 AromaticContact CG-CD2 3.97Å; H61-F96 AromaticContact CG-CE2 3.29Å; H61-F96 AromaticContact CG-CZ 3.86Å; H61-F96 AromaticContact ND1-CD2 3.96Å; H61-F96 AromaticContact ND1-CE2 3.76Å |
| 62 | L | 68.8 | Low | 70.3 | Confident | 66 Ų | 66 | 82.7 Ų | 82.7 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.8 | -73.3 | 171.7 | 0 | 0 | 0 | 112 | M58 I59 Y64 A66 I93 | M58-L62 HydrophobicContact CG-CD1 3.86Å; M58-L62 HydrophobicContact CG-CG 4.41Å; M58-L62 WeakPolarHBondContact O-CB 3.18Å; M58-L62 WeakPolarHBondContact O-CG 3.36Å; M58-L62 PolarHBondContact O-N 3.14Å; I59-L62 PolarHBondContact O-N 3.28Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-A66 VanDerWaalsContact O-CB 3.26Å; L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 3.18Å; L62-I93 HydrophobicContact CD2-CD1 4.4Å; L62-I93 HydrophobicContact CD2-CG1 3.74Å |
| 63 | I | 71.9 | Confident | 70.2 | Confident | 82 Ų | 82 | 84.4 Ų | 84.4 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | -69.2 | 169.1 | 0 | 0 | 0 | 110.1 | I59 F60 A66 Q67 | I59-I63 HydrophobicContact CG2-CD1 3.63Å; I59-I63 HydrophobicContact CG2-CG1 4.33Å; I59-I63 WeakPolarHBondContact O-CB 3.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.13Å; I59-I63 PolarHBondContact O-N 3.26Å; F60-I63 PolarHBondContact O-N 2.99Å; I63-A66 PolarHBondContact O-N 2.96Å; I63-Q67 HydrophobicContact CG2-CG 4.36Å; I63-Q67 WeakPolarHBondContact O-CB 3.4Å; I63-Q67 VanDerWaalsContact O-CG 3.27Å; I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 3.27Å |
| 64 | Y | 77 | Confident | 70 | Confident | 139 Ų | 139 | 89.9 Ų | 89.9 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 178.1 | 177.6 | -98.9 | 0 | 0 | 0 | 111.8 | F60 H61 L62 A66 Q67 K68 | F60-Y64 VanDerWaalsContact O-CB 3.32Å; F60-Y64 WeakPolarHBondContact O-CB 3.4Å; F60-Y64 PolarHBondContact O-N 3.06Å; H61-Y64 PolarHBondContact O-N 3.41Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 3.32Å; Y64-Q67 PolarHBondContact O-N 3.11Å; Y64-K68 HydrophobicContact CE1-CD 4.48Å; Y64-K68 WeakPolarHBondContact O-CB 3.22Å; Y64-K68 PolarHBondContact O-N 3.21Å |
| 65 | E | 70.7 | Confident | 70 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 13% | 0.131 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.3 | -74.9 | -58.7 | 148.7 | 0 | 0 | 111.5 | H61 Q67 K68 Q69 | H61-E65 IonicContact CE1-OE1 2.61Å; H61-E65 PolarHBondContact O-N 2.93Å; E65-Q67 VanDerWaalsContact C-N 3.3Å; E65-Q67 PolarHBondContact O-N 2.95Å; E65-K68 PolarHBondContact O-N 3.28Å; E65-K68 IonicContact OE1-NZ 3.77Å; E65-K68 IonicContact OE2-NZ 3.61Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 WeakPolarHBondContact O-CG 3.31Å; E65-Q69 PolarHBondContact O-N 3.44Å |
| 66 | A | 69.6 | Low | 69.6 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L62 I63 Y64 R70 | L62-A66 VanDerWaalsContact O-CB 3.26Å; L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 3.18Å; I63-A66 PolarHBondContact O-N 2.96Å; Y64-A66 PolarHBondContact O-N 3.32Å; A66-R70 WeakPolarHBondContact O-CG 3.14Å; A66-R70 PolarHBondContact O-N 3Å |
| 67 | Q | 73.4 | Confident | 69.2 | Low | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.1 | -45.8 | 176 | -75.8 | 179.9 | -3.6 | 0 | 0 | 112.2 | I63 Y64 E65 Q69 R70 A71 | I63-Q67 HydrophobicContact CG2-CG 4.36Å; I63-Q67 WeakPolarHBondContact O-CB 3.4Å; I63-Q67 VanDerWaalsContact O-CG 3.27Å; I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 3.27Å; Y64-Q67 PolarHBondContact O-N 3.11Å; E65-Q67 VanDerWaalsContact C-N 3.3Å; E65-Q67 PolarHBondContact O-N 2.95Å; Q67-Q69 VanDerWaalsContact C-N 3.28Å; Q67-Q69 PolarHBondContact O-N 2.95Å; Q67-R70 WeakPolarHBondContact O-CB 3.28Å; Q67-R70 PolarHBondContact O-N 3.47Å; Q67-R70 VanDerWaalsContact O-N 3.14Å; Q67-A71 PolarHBondContact O-N 2.87Å |
| 68 | K | 76.9 | Confident | 68.5 | Low | 83 Ų | 83 | 103 Ų | 103 | 36% | 0.361 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 174.2 | -179.2 | -175.9 | 167.8 | -159 | 0 | 110.8 | Y64 E65 R70 A71 E72 | Y64-K68 HydrophobicContact CE1-CD 4.48Å; Y64-K68 WeakPolarHBondContact O-CB 3.22Å; Y64-K68 PolarHBondContact O-N 3.21Å; E65-K68 PolarHBondContact O-N 3.28Å; E65-K68 IonicContact OE1-NZ 3.77Å; E65-K68 IonicContact OE2-NZ 3.61Å; K68-R70 PolarHBondContact O-N 3.24Å; K68-A71 WeakPolarHBondContact O-CB 3.34Å; K68-A71 PolarHBondContact O-N 2.96Å; K68-A71 VanDerWaalsContact O-N 3.12Å; K68-E72 PolarHBondContact O-N 2.78Å |
| 69 | Q | 68 | Low | 68.1 | Low | 28 Ų | 28 | 109.2 Ų | 109.2 | 13% | 0.131 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.3 | -77.7 | -177.4 | 20.8 | 0 | 0 | 112.4 | E65 Q67 A71 E72 D73 K85 T89 | E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 WeakPolarHBondContact O-CG 3.31Å; E65-Q69 PolarHBondContact O-N 3.44Å; Q67-Q69 VanDerWaalsContact C-N 3.28Å; Q67-Q69 PolarHBondContact O-N 2.95Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.38Å; Q69-E72 PolarHBondContact O-N 3.47Å; Q69-D73 PolarHBondContact O-N 3.41Å; Q69-K85 VanDerWaalsContact C-NZ 3.32Å; Q69-K85 PolarHBondContact O-NZ 3.39Å; Q69-T89 PolarHBondContact NE2-OG1 3.47Å; Q69-T89 PolarHBondContact OE1-OG1 3.29Å |
| 70 | R | 68.5 | Low | 67.4 | Low | 187 Ų | 187 | 111.5 Ų | 111.5 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | 174 | -77 | 178.4 | -177.2 | -162.1 | 1.8 | 112.4 | A66 Q67 K68 K74 | A66-R70 WeakPolarHBondContact O-CG 3.14Å; A66-R70 PolarHBondContact O-N 3Å; Q67-R70 WeakPolarHBondContact O-CB 3.28Å; Q67-R70 PolarHBondContact O-N 3.47Å; Q67-R70 VanDerWaalsContact O-N 3.14Å; K68-R70 PolarHBondContact O-N 3.24Å; R70-K74 PolarHBondContact O-N 2.93Å |
| 71 | A | 69.9 | Low | 66.4 | Low | 64 Ų | 64 | 109.1 Ų | 109.1 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q67 K68 Q69 K74 | Q67-A71 PolarHBondContact O-N 2.87Å; K68-A71 WeakPolarHBondContact O-CB 3.34Å; K68-A71 PolarHBondContact O-N 2.96Å; K68-A71 VanDerWaalsContact O-N 3.12Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.38Å; A71-K74 PolarHBondContact O-N 3.29Å |
| 72 | E | 68.8 | Low | 65.6 | Low | 87 Ų | 87 | 109.9 Ų | 109.9 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 177.6 | -70.8 | -178.8 | -170.6 | 0 | 0 | 113.3 | K68 Q69 K74 K75 Y76 | K68-E72 PolarHBondContact O-N 2.78Å; Q69-E72 PolarHBondContact O-N 3.47Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 3Å; E72-K75 WeakPolarHBondContact O-CB 3.34Å; E72-K75 PolarHBondContact O-N 3.37Å; E72-K75 VanDerWaalsContact O-N 3.08Å; E72-Y76 WeakPolarHBondContact O-CD2 3.45Å; E72-Y76 PolarHBondContact O-N 3.24Å |
| 73 | D | 63.4 | Low | 65 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 176.5 | -83.8 | -10.5 | 0 | 0 | 0 | 112.8 | Q69 K75 Y76 K85 | Q69-D73 PolarHBondContact O-N 3.41Å; D73-K75 PolarHBondContact O-N 2.74Å; D73-Y76 PolarHBondContact O-N 3.01Å; D73-K85 VanDerWaalsContact OD1-CD 3.31Å; D73-K85 WeakPolarHBondContact OD1-CD 3.48Å; D73-K85 WeakPolarHBondContact OD1-CE 3.23Å; D73-K85 IonicContact OD1-NZ 3.9Å; D73-K85 PolarHBondContact OD1-NZ 3.3Å; D73-K85 IonicContact OD2-NZ 2.68Å; D73-K85 PolarHBondContact OD2-NZ 2.81Å |
| 74 | K | 66.1 | Low | 64.1 | Low | 189 Ų | 189 | 120 Ų | 120 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59 | -28.3 | 174.7 | -72.8 | -177.2 | 178.7 | -174.5 | 0 | 112 | R70 A71 E72 | R70-K74 PolarHBondContact O-N 2.93Å; A71-K74 PolarHBondContact O-N 3.29Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 3Å |
| 75 | K | 65.2 | Low | 63.2 | Low | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.2 | -21.3 | -177.3 | -168.3 | 174.4 | 175.4 | -173.9 | 0 | 113.7 | E72 D73 | E72-K75 WeakPolarHBondContact O-CB 3.34Å; E72-K75 PolarHBondContact O-N 3.37Å; E72-K75 VanDerWaalsContact O-N 3.08Å; D73-K75 PolarHBondContact O-N 2.74Å |
| 76 | Y | 58.6 | Low | 62.6 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 44% | 0.443 | 55% | 0.547 | S | S | . | . | trans | -137.2 | 96.7 | -171 | -61.7 | -84.3 | 0 | 0 | 0 | 113.5 | E72 D73 N78 K81 | E72-Y76 WeakPolarHBondContact O-CD2 3.45Å; E72-Y76 PolarHBondContact O-N 3.24Å; D73-Y76 PolarHBondContact O-N 3.01Å; Y76-N78 VanDerWaalsContact C-N 3.3Å; Y76-N78 PolarHBondContact O-N 3.22Å; Y76-K81 VanDerWaalsContact CB-NZ 3.31Å; Y76-K81 HydrophobicContact CG-CD 4.43Å | ||
| 77 | K | 61.2 | Low | 62.1 | Low | 222 Ų | 222 | 120.1 Ų | 120.1 | 97% | 0.965 | 56% | 0.555 | S | S | * | * | trans | -71.6 | 23.8 | -174.1 | -102.6 | -174.6 | -179.4 | -178.6 | 0 | 117.7 | ||||
| 78 | N | 58.4 | Low | 61.5 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 65% | 0.647 | 55% | 0.551 | S | S | * | * | trans | -115.4 | 126.5 | -167.7 | -146.8 | -5 | 0 | 0 | 0 | 116 | Y76 N80 K81 | Y76-N78 VanDerWaalsContact C-N 3.3Å; Y76-N78 PolarHBondContact O-N 3.22Å; N78-N80 PolarHBondContact O-N 3.43Å; N78-K81 WeakPolarHBondContact O-CB 3.4Å; N78-K81 PolarHBondContact O-N 2.87Å; N78-K81 VanDerWaalsContact O-N 3.08Å | ||
| 79 | K | 58.7 | Low | 60.9 | Low | 177 Ų | 177 | 116.2 Ų | 116.2 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -34.9 | -171.3 | -86.3 | 178.3 | 174.1 | 176.9 | 0 | 115.2 | K81 I82 | K79-K81 PolarHBondContact O-N 2.93Å; K79-I82 PolarHBondContact O-N 3.34Å |
| 80 | N | 55.9 | Low | 60.8 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.3 | -13.2 | 179.5 | -81.6 | -3.1 | 0 | 0 | 0 | 113.7 | N78 | N78-N80 PolarHBondContact O-N 3.43Å |
| 81 | K | 52.1 | Low | 60.7 | Low | 81 Ų | 81 | 114.2 Ų | 114.2 | 35% | 0.352 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.2 | -28.2 | 178.4 | -156.1 | 174.5 | -178 | -175.8 | 0 | 112.5 | Y76 N78 K79 K83 R84 K85 | Y76-K81 VanDerWaalsContact CB-NZ 3.31Å; Y76-K81 HydrophobicContact CG-CD 4.43Å; N78-K81 WeakPolarHBondContact O-CB 3.4Å; N78-K81 PolarHBondContact O-N 2.87Å; N78-K81 VanDerWaalsContact O-N 3.08Å; K79-K81 PolarHBondContact O-N 2.93Å; K81-K83 PolarHBondContact O-N 3.06Å; K81-R84 PolarHBondContact O-N 2.88Å; K81-K85 VanDerWaalsContact O-CB 3.22Å; K81-K85 WeakPolarHBondContact O-CB 3.48Å; K81-K85 PolarHBondContact O-N 2.99Å |
| 82 | I | 55.5 | Low | 60.5 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | -177.6 | -59.7 | 172.8 | 0 | 0 | 0 | 111 | K79 R84 K85 V86 | K79-I82 PolarHBondContact O-N 3.34Å; I82-R84 PolarHBondContact O-N 3.36Å; I82-K85 WeakPolarHBondContact O-CB 3.32Å; I82-K85 PolarHBondContact O-N 3.23Å; I82-V86 HydrophobicContact CG2-CG2 4.36Å; I82-V86 WeakPolarHBondContact O-CG2 3.31Å; I82-V86 PolarHBondContact O-N 2.79Å |
| 83 | K | 54.6 | Low | 60.5 | Low | 167 Ų | 167 | 113.8 Ų | 113.8 | 73% | 0.726 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 178.3 | -71.1 | -173 | 178.2 | -176.9 | 0 | 112.1 | K81 K85 I87 | K81-K83 PolarHBondContact O-N 3.06Å; K83-K85 VanDerWaalsContact C-N 3.31Å; K83-K85 PolarHBondContact O-N 3.37Å; K83-I87 WeakPolarHBondContact O-CG1 3.17Å; K83-I87 PolarHBondContact O-N 3.29Å |
| 84 | R | 53.8 | Low | 60.3 | Low | 193 Ų | 193 | 113 Ų | 113 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -36.3 | 177.8 | -151.9 | 176.4 | -164.4 | 175.8 | 3.9 | 111.5 | K81 I82 I88 | K81-R84 PolarHBondContact O-N 2.88Å; I82-R84 PolarHBondContact O-N 3.36Å; R84-I88 WeakPolarHBondContact O-CG1 3.43Å; R84-I88 PolarHBondContact O-N 3.34Å |
| 85 | K | 57 | Low | 60.3 | Low | 34 Ų | 34 | 108.2 Ų | 108.2 | 15% | 0.148 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 178.4 | -167.5 | -177.9 | -173.4 | -166.8 | 0 | 112.5 | Q69 D73 K81 I82 K83 I87 I88 T89 | Q69-K85 VanDerWaalsContact C-NZ 3.32Å; Q69-K85 PolarHBondContact O-NZ 3.39Å; D73-K85 VanDerWaalsContact OD1-CD 3.31Å; D73-K85 WeakPolarHBondContact OD1-CD 3.48Å; D73-K85 WeakPolarHBondContact OD1-CE 3.23Å; D73-K85 IonicContact OD1-NZ 3.9Å; D73-K85 PolarHBondContact OD1-NZ 3.3Å; D73-K85 IonicContact OD2-NZ 2.68Å; D73-K85 PolarHBondContact OD2-NZ 2.81Å; K81-K85 VanDerWaalsContact O-CB 3.22Å; K81-K85 WeakPolarHBondContact O-CB 3.48Å; K81-K85 PolarHBondContact O-N 2.99Å; I82-K85 WeakPolarHBondContact O-CB 3.32Å; I82-K85 PolarHBondContact O-N 3.23Å; K83-K85 VanDerWaalsContact C-N 3.31Å; K83-K85 PolarHBondContact O-N 3.37Å; K85-I87 VanDerWaalsContact C-N 3.28Å; K85-I87 PolarHBondContact O-N 3.46Å; K85-I88 PolarHBondContact O-N 3.45Å; K85-T89 PolarHBondContact O-N 2.94Å; K85-T89 PolarHBondContact O-OG1 2.81Å |
| 86 | V | 59.1 | Low | 60.1 | Low | 74 Ų | 74 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -41 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I82 T89 I90 | I82-V86 HydrophobicContact CG2-CG2 4.36Å; I82-V86 WeakPolarHBondContact O-CG2 3.31Å; I82-V86 PolarHBondContact O-N 2.79Å; V86-T89 PolarHBondContact O-N 2.96Å; V86-I90 HydrophobicContact CG1-CD1 3.74Å; V86-I90 HydrophobicContact CG1-CG1 4.36Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.39Å; V86-I90 PolarHBondContact O-N 2.88Å |
| 87 | I | 58.2 | Low | 60.3 | Low | 109 Ų | 109 | 99.3 Ų | 99.3 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 178.1 | -65.3 | 167.3 | 0 | 0 | 0 | 111.4 | K83 K85 I90 T91 | K83-I87 WeakPolarHBondContact O-CG1 3.17Å; K83-I87 PolarHBondContact O-N 3.29Å; K85-I87 VanDerWaalsContact C-N 3.28Å; K85-I87 PolarHBondContact O-N 3.46Å; I87-I90 PolarHBondContact O-N 3.25Å; I87-T91 WeakPolarHBondContact O-CB 3.39Å; I87-T91 PolarHBondContact O-N 2.9Å; I87-T91 PolarHBondContact O-OG1 2.78Å |
| 88 | I | 61.5 | Low | 60.5 | Low | 84 Ų | 84 | 93.3 Ų | 93.3 | 43% | 0.431 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.1 | -66.8 | 165.6 | 0 | 0 | 0 | 109.9 | R84 K85 I90 T91 E92 | R84-I88 WeakPolarHBondContact O-CG1 3.43Å; R84-I88 PolarHBondContact O-N 3.34Å; K85-I88 PolarHBondContact O-N 3.45Å; I88-I90 VanDerWaalsContact C-N 3.35Å; I88-I90 PolarHBondContact O-N 3.31Å; I88-T91 PolarHBondContact O-N 2.91Å; I88-E92 HydrophobicContact CG2-CG 4.34Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.5Å; I88-E92 WeakPolarHBondContact O-CG 3.31Å; I88-E92 PolarHBondContact O-N 3.35Å |
| 89 | T | 65 | Low | 60.9 | Low | 31 Ų | 31 | 94.8 Ų | 94.8 | 19% | 0.19 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 177.7 | -47 | 0 | 0 | 0 | 0 | 112 | Q69 K85 V86 E92 I93 | Q69-T89 PolarHBondContact NE2-OG1 3.47Å; Q69-T89 PolarHBondContact OE1-OG1 3.29Å; K85-T89 PolarHBondContact O-N 2.94Å; K85-T89 PolarHBondContact O-OG1 2.81Å; V86-T89 PolarHBondContact O-N 2.96Å; T89-E92 PolarHBondContact O-N 3.45Å; T89-I93 HydrophobicContact CG2-CD1 3.88Å; T89-I93 WeakPolarHBondContact O-CB 3.23Å; T89-I93 WeakPolarHBondContact O-CD1 3.45Å; T89-I93 WeakPolarHBondContact O-CG1 3.19Å; T89-I93 PolarHBondContact O-N 3.45Å |
| 90 | I | 65.9 | Low | 60.9 | Low | 95 Ų | 95 | 87.5 Ų | 87.5 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 178.5 | -68.3 | 167.5 | 0 | 0 | 0 | 110.5 | V86 I87 I88 E92 I93 C94 | V86-I90 HydrophobicContact CG1-CD1 3.74Å; V86-I90 HydrophobicContact CG1-CG1 4.36Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.39Å; V86-I90 PolarHBondContact O-N 2.88Å; I87-I90 PolarHBondContact O-N 3.25Å; I88-I90 VanDerWaalsContact C-N 3.35Å; I88-I90 PolarHBondContact O-N 3.31Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.3Å; I90-I93 PolarHBondContact O-N 2.97Å; I90-C94 WeakPolarHBondContact O-CB 3.34Å; I90-C94 PolarHBondContact O-N 3.43Å; I90-C94 PolarHBondContact O-SG 3.22Å |
| 91 | T | 67 | Low | 61.3 | Low | 78 Ų | 78 | 85.6 Ų | 85.6 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | -179.1 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | I87 I88 C94 T95 | I87-T91 WeakPolarHBondContact O-CB 3.39Å; I87-T91 PolarHBondContact O-N 2.9Å; I87-T91 PolarHBondContact O-OG1 2.78Å; I88-T91 PolarHBondContact O-N 2.91Å; T91-C94 PolarHBondContact O-N 3.01Å; T91-T95 WeakPolarHBondContact O-CB 3.27Å; T91-T95 PolarHBondContact O-N 2.92Å; T91-T95 PolarHBondContact O-OG1 3.06Å |
| 92 | E | 65.3 | Low | 61.9 | Low | 71 Ų | 71 | 90 Ų | 90 | 33% | 0.332 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 174.8 | -73.6 | 171.8 | 169.9 | 0 | 0 | 111 | I88 T89 I90 C94 T95 F96 | I88-E92 HydrophobicContact CG2-CG 4.34Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.5Å; I88-E92 WeakPolarHBondContact O-CG 3.31Å; I88-E92 PolarHBondContact O-N 3.35Å; T89-E92 PolarHBondContact O-N 3.45Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.3Å; E92-C94 VanDerWaalsContact C-N 3.35Å; E92-C94 PolarHBondContact O-N 2.89Å; E92-T95 PolarHBondContact O-N 3.27Å; E92-F96 WeakPolarHBondContact O-CB 3.43Å; E92-F96 PolarHBondContact O-N 2.94Å |
| 93 | I | 67.5 | Low | 62.4 | Low | 71 Ų | 71 | 91.5 Ų | 91.5 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 176.4 | -67.6 | 167.7 | 0 | 0 | 0 | 111.1 | L62 T89 I90 F96 T97 | L62-I93 HydrophobicContact CD2-CD1 4.4Å; L62-I93 HydrophobicContact CD2-CG1 3.74Å; T89-I93 HydrophobicContact CG2-CD1 3.88Å; T89-I93 WeakPolarHBondContact O-CB 3.23Å; T89-I93 WeakPolarHBondContact O-CD1 3.45Å; T89-I93 WeakPolarHBondContact O-CG1 3.19Å; T89-I93 PolarHBondContact O-N 3.45Å; I90-I93 PolarHBondContact O-N 2.97Å; I93-F96 PolarHBondContact O-N 3.28Å; I93-T97 WeakPolarHBondContact O-CB 3.44Å; I93-T97 PolarHBondContact O-N 2.79Å; I93-T97 PolarHBondContact O-OG1 2.88Å |
| 94 | C | 60 | Low | 62.8 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 43% | 0.432 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 178.4 | -72.5 | 0 | 0 | 0 | 0 | 112 | I90 T91 E92 F96 T97 I98 | I90-C94 WeakPolarHBondContact O-CB 3.34Å; I90-C94 PolarHBondContact O-N 3.43Å; I90-C94 PolarHBondContact O-SG 3.22Å; T91-C94 PolarHBondContact O-N 3.01Å; E92-C94 VanDerWaalsContact C-N 3.35Å; E92-C94 PolarHBondContact O-N 2.89Å; C94-F96 PolarHBondContact O-N 2.94Å; C94-T97 PolarHBondContact O-N 3.35Å; C94-I98 VanDerWaalsContact O-CG1 3.3Å; C94-I98 WeakPolarHBondContact O-CG1 3.14Å; C94-I98 PolarHBondContact O-N 3.14Å |
| 95 | T | 66.7 | Low | 63.3 | Low | 89 Ų | 89 | 82.8 Ų | 82.8 | 55% | 0.546 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | T91 E92 K99 | T91-T95 WeakPolarHBondContact O-CB 3.27Å; T91-T95 PolarHBondContact O-N 2.92Å; T91-T95 PolarHBondContact O-OG1 3.06Å; E92-T95 PolarHBondContact O-N 3.27Å; T95-K99 PolarHBondContact O-N 3.46Å |
| 96 | F | 61.2 | Low | 63.7 | Low | 24 Ų | 24 | 85.6 Ų | 85.6 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.2 | -52.4 | 174.8 | -163.6 | -88.9 | 0 | 0 | 0 | 111 | M58 H61 E92 I93 C94 I98 K99 Y100 | M58-F96 VanDerWaalsContact CA-CE1 3.41Å; M58-F96 HydrophobicContact CB-CE1 3.51Å; M58-F96 HydrophobicContact CB-CZ 4.19Å; M58-F96 HydrophobicContact CG-CD1 3.96Å; M58-F96 HydrophobicContact CG-CE1 3.38Å; M58-F96 HydrophobicContact CG-CZ 4.4Å; M58-F96 HydrophobicContact SD-CD1 4.35Å; M58-F96 HydrophobicContact SD-CE1 4.19Å; H61-F96 HydrophobicContact CB-CD2 4.44Å; H61-F96 HydrophobicContact CB-CE1 4.49Å; H61-F96 HydrophobicContact CB-CE2 3.48Å; H61-F96 VanDerWaalsContact CB-CE2 3.48Å; H61-F96 HydrophobicContact CB-CZ 3.47Å; H61-F96 VanDerWaalsContact CB-CZ 3.47Å; H61-F96 AromaticContact CD2-CE2 3.54Å; H61-F96 AromaticContact CG-CD2 3.97Å; H61-F96 AromaticContact CG-CE2 3.29Å; H61-F96 AromaticContact CG-CZ 3.86Å; H61-F96 AromaticContact ND1-CD2 3.96Å; H61-F96 AromaticContact ND1-CE2 3.76Å; E92-F96 WeakPolarHBondContact O-CB 3.43Å; E92-F96 PolarHBondContact O-N 2.94Å; I93-F96 PolarHBondContact O-N 3.28Å; C94-F96 PolarHBondContact O-N 2.94Å; F96-I98 VanDerWaalsContact C-N 3.26Å; F96-I98 PolarHBondContact O-N 3.01Å; F96-K99 WeakPolarHBondContact O-CB 3.44Å; F96-K99 PolarHBondContact O-N 2.94Å; F96-Y100 AromaticContact CD1-CD2 3.52Å; F96-Y100 HydrophobicContact CD1-CD2 3.52Å; F96-Y100 AromaticContact CD1-CE2 3.53Å; F96-Y100 HydrophobicContact CD1-CE2 3.53Å; F96-Y100 HydrophobicContact CD1-CG 4.27Å; F96-Y100 HydrophobicContact CD2-CD2 4.44Å; F96-Y100 AromaticContact CD2-CE2 3.96Å; F96-Y100 HydrophobicContact CD2-CE2 3.96Å; F96-Y100 HydrophobicContact CE1-CD1 4.3Å; F96-Y100 AromaticContact CE1-CD2 3.32Å; F96-Y100 HydrophobicContact CE1-CD2 3.32Å; F96-Y100 HydrophobicContact CE1-CE1 4.01Å; F96-Y100 AromaticContact CE1-CE2 2.9Å; F96-Y100 HydrophobicContact CE1-CE2 2.9Å; F96-Y100 HydrophobicContact CE1-CG 4.01Å; F96-Y100 AromaticContact CE1-CZ 3.28Å; F96-Y100 HydrophobicContact CE2-CD2 4.32Å; F96-Y100 AromaticContact CE2-CE2 3.45Å; F96-Y100 HydrophobicContact CE2-CE2 3.45Å; F96-Y100 VanDerWaalsContact CE2-CE2 3.45Å; F96-Y100 HydrophobicContact CG-CD2 4.1Å; F96-Y100 HydrophobicContact CG-CE2 4.02Å; F96-Y100 AromaticContact CZ-CD2 3.83Å; F96-Y100 HydrophobicContact CZ-CD2 3.83Å; F96-Y100 HydrophobicContact CZ-CE1 4.26Å; F96-Y100 AromaticContact CZ-CE2 2.92Å; F96-Y100 HydrophobicContact CZ-CE2 2.92Å; F96-Y100 AromaticContact CZ-CZ 3.18Å; F96-Y100 WeakPolarHBondContact CZ-OH 3.32Å; F96-Y100 WeakPolarHBondContact O-CD2 3.31Å; F96-Y100 PolarHBondContact O-N 3.3Å |
| 97 | T | 61.7 | Low | 64 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 36% | 0.356 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -55.5 | -41.6 | 179.1 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | I93 C94 Y100 I101 | I93-T97 WeakPolarHBondContact O-CB 3.44Å; I93-T97 PolarHBondContact O-N 2.79Å; I93-T97 PolarHBondContact O-OG1 2.88Å; C94-T97 PolarHBondContact O-N 3.35Å; T97-Y100 WeakPolarHBondContact O-CB 3.41Å; T97-Y100 PolarHBondContact O-N 3.48Å; T97-I101 HydrophobicContact CG2-CD1 4.22Å; T97-I101 WeakPolarHBondContact O-CG1 3.12Å; T97-I101 PolarHBondContact O-N 3.48Å |
| 98 | I | 66.5 | Low | 64.4 | Low | 96 Ų | 96 | 79.2 Ų | 79.2 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.6 | -66.8 | 163.9 | 0 | 0 | 0 | 111.7 | C94 F96 Y100 I101 R102 | C94-I98 VanDerWaalsContact O-CG1 3.3Å; C94-I98 WeakPolarHBondContact O-CG1 3.14Å; C94-I98 PolarHBondContact O-N 3.14Å; F96-I98 VanDerWaalsContact C-N 3.26Å; F96-I98 PolarHBondContact O-N 3.01Å; I98-Y100 PolarHBondContact O-N 3.09Å; I98-I101 PolarHBondContact O-N 2.9Å; I98-R102 PolarHBondContact O-N 2.88Å; I98-R102 VanDerWaalsContact O-N 3.11Å |
| 99 | K | 65 | Low | 64.6 | Low | 151 Ų | 151 | 81.3 Ų | 81.3 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.3 | -35.9 | 176.2 | -171.5 | -179.1 | 178.9 | -173.4 | 0 | 111.2 | T95 F96 Y103 | T95-K99 PolarHBondContact O-N 3.46Å; F96-K99 WeakPolarHBondContact O-CB 3.44Å; F96-K99 PolarHBondContact O-N 2.94Å; K99-Y103 PolarHBondContact O-N 2.9Å; K99-Y103 VanDerWaalsContact O-N 3.09Å |
| 100 | Y | 60.5 | Low | 64.7 | Low | 24 Ų | 24 | 82.3 Ų | 82.3 | 9% | 0.094 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -74.1 | -41.2 | 179.8 | -86.6 | -103.4 | 0 | 0 | 0 | 113.1 | V54 E57 M58 F96 T97 I98 R102 Y103 I104 | V54-Y100 HydrophobicContact CB-CE1 4.39Å; V54-Y100 HydrophobicContact CG1-CD1 3.24Å; V54-Y100 HydrophobicContact CG1-CE1 3.42Å; V54-Y100 VanDerWaalsContact CG1-CE1 3.42Å; V54-Y100 HydrophobicContact CG1-CG 4.41Å; V54-Y100 VanDerWaalsContact O-CE1 3.22Å; V54-Y100 WeakPolarHBondContact O-CE1 3.35Å; E57-Y100 WeakPolarHBondContact CB-OH 3.41Å; E57-Y100 VanDerWaalsContact CG-OH 3.3Å; E57-Y100 WeakPolarHBondContact CG-OH 3.46Å; M58-Y100 HydrophobicContact CB-CD1 4.11Å; M58-Y100 HydrophobicContact CB-CE1 3.76Å; M58-Y100 PolarHBondContact N-OH 3.4Å; M58-Y100 HydrophobicContact SD-CD1 4.5Å; F96-Y100 AromaticContact CD1-CD2 3.52Å; F96-Y100 HydrophobicContact CD1-CD2 3.52Å; F96-Y100 AromaticContact CD1-CE2 3.53Å; F96-Y100 HydrophobicContact CD1-CE2 3.53Å; F96-Y100 HydrophobicContact CD1-CG 4.27Å; F96-Y100 HydrophobicContact CD2-CD2 4.44Å; F96-Y100 AromaticContact CD2-CE2 3.96Å; F96-Y100 HydrophobicContact CD2-CE2 3.96Å; F96-Y100 HydrophobicContact CE1-CD1 4.3Å; F96-Y100 AromaticContact CE1-CD2 3.32Å; F96-Y100 HydrophobicContact CE1-CD2 3.32Å; F96-Y100 HydrophobicContact CE1-CE1 4.01Å; F96-Y100 AromaticContact CE1-CE2 2.9Å; F96-Y100 HydrophobicContact CE1-CE2 2.9Å; F96-Y100 HydrophobicContact CE1-CG 4.01Å; F96-Y100 AromaticContact CE1-CZ 3.28Å; F96-Y100 HydrophobicContact CE2-CD2 4.32Å; F96-Y100 AromaticContact CE2-CE2 3.45Å; F96-Y100 HydrophobicContact CE2-CE2 3.45Å; F96-Y100 VanDerWaalsContact CE2-CE2 3.45Å; F96-Y100 HydrophobicContact CG-CD2 4.1Å; F96-Y100 HydrophobicContact CG-CE2 4.02Å; F96-Y100 AromaticContact CZ-CD2 3.83Å; F96-Y100 HydrophobicContact CZ-CD2 3.83Å; F96-Y100 HydrophobicContact CZ-CE1 4.26Å; F96-Y100 AromaticContact CZ-CE2 2.92Å; F96-Y100 HydrophobicContact CZ-CE2 2.92Å; F96-Y100 AromaticContact CZ-CZ 3.18Å; F96-Y100 WeakPolarHBondContact CZ-OH 3.32Å; F96-Y100 WeakPolarHBondContact O-CD2 3.31Å; F96-Y100 PolarHBondContact O-N 3.3Å; T97-Y100 WeakPolarHBondContact O-CB 3.41Å; T97-Y100 PolarHBondContact O-N 3.48Å; I98-Y100 PolarHBondContact O-N 3.09Å; Y100-R102 VanDerWaalsContact C-N 3.28Å; Y100-R102 PolarHBondContact O-N 2.86Å; Y100-Y103 PolarHBondContact O-N 3.42Å; Y100-Y103 VanDerWaalsContact O-N 3.14Å; Y100-I104 WeakPolarHBondContact O-CG1 3.5Å; Y100-I104 PolarHBondContact O-N 3.45Å |
| 101 | I | 64.5 | Low | 64.6 | Low | 103 Ų | 103 | 78.8 Ų | 78.8 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 172.2 | -68.8 | 165.7 | 0 | 0 | 0 | 110.1 | T97 I98 Y103 I104 E105 | T97-I101 HydrophobicContact CG2-CD1 4.22Å; T97-I101 WeakPolarHBondContact O-CG1 3.12Å; T97-I101 PolarHBondContact O-N 3.48Å; I98-I101 PolarHBondContact O-N 2.9Å; I101-Y103 VanDerWaalsContact C-N 3.33Å; I101-Y103 PolarHBondContact O-N 2.85Å; I101-I104 PolarHBondContact O-N 2.89Å; I101-E105 PolarHBondContact O-N 3.37Å |
| 102 | R | 63.8 | Low | 64.5 | Low | 172 Ų | 172 | 78.9 Ų | 78.9 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -38.2 | 175.9 | -73.1 | -174.4 | 175.4 | -179.2 | -0.6 | 113 | I98 Y100 E105 V106 | I98-R102 PolarHBondContact O-N 2.88Å; I98-R102 VanDerWaalsContact O-N 3.11Å; Y100-R102 VanDerWaalsContact C-N 3.28Å; Y100-R102 PolarHBondContact O-N 2.86Å; R102-E105 PolarHBondContact O-N 3.5Å; R102-V106 WeakPolarHBondContact O-CG2 3.47Å; R102-V106 PolarHBondContact O-N 2.76Å |
| 103 | Y | 65.6 | Low | 64.7 | Low | 133 Ų | 133 | 82.8 Ų | 82.8 | 52% | 0.522 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.1 | -167.1 | -97.8 | 0 | 0 | 0 | 111.9 | V54 K99 Y100 I101 E105 V106 I107 | V54-Y103 HydrophobicContact CB-CD1 4.5Å; V54-Y103 HydrophobicContact CG1-CD1 4.3Å; V54-Y103 HydrophobicContact CG2-CD1 3.34Å; V54-Y103 HydrophobicContact CG2-CE1 3.27Å; K99-Y103 PolarHBondContact O-N 2.9Å; K99-Y103 VanDerWaalsContact O-N 3.09Å; Y100-Y103 PolarHBondContact O-N 3.42Å; Y100-Y103 VanDerWaalsContact O-N 3.14Å; I101-Y103 VanDerWaalsContact C-N 3.33Å; I101-Y103 PolarHBondContact O-N 2.85Å; Y103-E105 VanDerWaalsContact C-N 3.34Å; Y103-V106 PolarHBondContact O-N 2.96Å; Y103-I107 HydrophobicContact CD1-CD1 3.54Å; Y103-I107 HydrophobicContact CD1-CG1 4.37Å; Y103-I107 HydrophobicContact CE1-CD1 3.39Å; Y103-I107 HydrophobicContact CE1-CG1 4.18Å; Y103-I107 WeakPolarHBondContact O-CG1 3.39Å; Y103-I107 PolarHBondContact O-N 3.2Å |
| 104 | I | 63.2 | Low | 64.8 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 29% | 0.292 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.1 | -67.5 | 168.8 | 0 | 0 | 0 | 110.5 | Y100 I101 V106 I107 I108 | Y100-I104 WeakPolarHBondContact O-CG1 3.5Å; Y100-I104 PolarHBondContact O-N 3.45Å; I101-I104 PolarHBondContact O-N 2.89Å; I104-V106 PolarHBondContact O-N 3.38Å; I104-I107 WeakPolarHBondContact O-CB 3.33Å; I104-I107 PolarHBondContact O-N 3.49Å; I104-I108 HydrophobicContact CG2-CD1 3.71Å; I104-I108 HydrophobicContact CG2-CG1 4.41Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.35Å; I104-I108 PolarHBondContact O-N 2.95Å |
| 105 | E | 64.5 | Low | 65.1 | Low | 120 Ų | 120 | 82.2 Ų | 82.2 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 176.5 | -173.1 | 178.3 | -169.6 | 0 | 0 | 112.2 | I101 R102 Y103 I107 I108 L109 | I101-E105 PolarHBondContact O-N 3.37Å; R102-E105 PolarHBondContact O-N 3.5Å; Y103-E105 VanDerWaalsContact C-N 3.34Å; E105-I107 VanDerWaalsContact C-N 3.34Å; E105-I107 PolarHBondContact O-N 3.25Å; E105-I108 PolarHBondContact O-N 2.87Å; E105-L109 WeakPolarHBondContact O-CB 3.29Å; E105-L109 PolarHBondContact O-N 3.28Å |
| 106 | V | 66.3 | Low | 65.4 | Low | 94 Ų | 94 | 79.4 Ų | 79.4 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | R102 Y103 I104 L109 S110 | R102-V106 WeakPolarHBondContact O-CG2 3.47Å; R102-V106 PolarHBondContact O-N 2.76Å; Y103-V106 PolarHBondContact O-N 2.96Å; I104-V106 PolarHBondContact O-N 3.38Å; V106-L109 PolarHBondContact O-N 3.48Å; V106-S110 WeakPolarHBondContact O-CB 3.34Å; V106-S110 PolarHBondContact O-N 2.89Å; V106-S110 PolarHBondContact O-OG 2.9Å |
| 107 | I | 65.4 | Low | 66 | Low | 10 Ų | 10 | 83.6 Ų | 83.6 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 174.4 | -79.5 | 163.3 | 0 | 0 | 0 | 110.6 | Q50 V54 Y103 I104 E105 L109 S110 H111 | Q50-I107 HydrophobicContact CB-CD1 3.96Å; Q50-I107 HydrophobicContact CB-CG2 4.47Å; V54-I107 HydrophobicContact CG2-CD1 4.21Å; Y103-I107 HydrophobicContact CD1-CD1 3.54Å; Y103-I107 HydrophobicContact CD1-CG1 4.37Å; Y103-I107 HydrophobicContact CE1-CD1 3.39Å; Y103-I107 HydrophobicContact CE1-CG1 4.18Å; Y103-I107 WeakPolarHBondContact O-CG1 3.39Å; Y103-I107 PolarHBondContact O-N 3.2Å; I104-I107 WeakPolarHBondContact O-CB 3.33Å; I104-I107 PolarHBondContact O-N 3.49Å; E105-I107 VanDerWaalsContact C-N 3.34Å; E105-I107 PolarHBondContact O-N 3.25Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 2.93Å; I107-S110 PolarHBondContact O-N 3.48Å; I107-S110 PolarHBondContact O-OG 3.29Å; I107-H111 PolarHBondContact O-N 3.49Å; I107-H111 PolarHBondContact O-ND1 3.37Å |
| 108 | I | 64.8 | Low | 66.3 | Low | 39 Ų | 39 | 84.1 Ų | 84.1 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | -179.8 | -67.3 | 161.2 | 0 | 0 | 0 | 109.8 | E28 I104 E105 S110 H111 H112 | E28-I108 WeakPolarHBondContact OE1-CD1 3.46Å; I104-I108 HydrophobicContact CG2-CD1 3.71Å; I104-I108 HydrophobicContact CG2-CG1 4.41Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.35Å; I104-I108 PolarHBondContact O-N 2.95Å; E105-I108 PolarHBondContact O-N 2.87Å; I108-S110 PolarHBondContact O-N 3.24Å; I108-H111 PolarHBondContact O-N 2.89Å; I108-H112 VanDerWaalsContact CG2-CE1 3.43Å; I108-H112 WeakPolarHBondContact CG2-CE1 3.35Å; I108-H112 WeakPolarHBondContact CG2-ND1 3.26Å; I108-H112 PolarHBondContact O-N 3.29Å; I108-H112 PolarHBondContact O-ND1 2.92Å |
| 109 | L | 65.6 | Low | 66.7 | Low | 128 Ų | 128 | 86.1 Ų | 86.1 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 179.6 | -157.5 | 97.6 | 0 | 0 | 0 | 111.8 | E105 V106 I107 H111 H112 F113 | E105-L109 WeakPolarHBondContact O-CB 3.29Å; E105-L109 PolarHBondContact O-N 3.28Å; V106-L109 PolarHBondContact O-N 3.48Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 2.93Å; L109-H111 VanDerWaalsContact C-N 3.31Å; L109-H111 PolarHBondContact O-N 3.03Å; L109-H112 PolarHBondContact O-N 3.18Å; L109-F113 PolarHBondContact O-N 3.11Å |
| 110 | S | 67.4 | Low | 67.2 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.4 | 70 | 0 | 0 | 0 | 0 | 112 | V106 I107 I108 F113 V114 | V106-S110 WeakPolarHBondContact O-CB 3.34Å; V106-S110 PolarHBondContact O-N 2.89Å; V106-S110 PolarHBondContact O-OG 2.9Å; I107-S110 PolarHBondContact O-N 3.48Å; I107-S110 PolarHBondContact O-OG 3.29Å; I108-S110 PolarHBondContact O-N 3.24Å; S110-F113 PolarHBondContact O-N 2.88Å; S110-V114 VanDerWaalsContact O-CG2 3.31Å; S110-V114 WeakPolarHBondContact O-CG2 3.41Å; S110-V114 PolarHBondContact O-N 2.86Å |
| 111 | H | 64.3 | Low | 68 | Low | 21 Ų | 21 | 87 Ų | 87 | 10% | 0.097 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 174.3 | -80.2 | 69.3 | 0 | 0 | 0 | 111.7 | V46 Q50 I107 I108 L109 F113 V114 I115 | V46-H111 WeakPolarHBondContact CG1-NE2 3.35Å; Q50-H111 PolarHBondContact OE1-CE1 2.8Å; I107-H111 PolarHBondContact O-N 3.49Å; I107-H111 PolarHBondContact O-ND1 3.37Å; I108-H111 PolarHBondContact O-N 2.89Å; L109-H111 VanDerWaalsContact C-N 3.31Å; L109-H111 PolarHBondContact O-N 3.03Å; H111-F113 PolarHBondContact O-N 3.31Å; H111-V114 PolarHBondContact O-N 2.88Å; H111-I115 WeakPolarHBondContact O-CB 3.38Å; H111-I115 WeakPolarHBondContact O-CD1 3.29Å; H111-I115 WeakPolarHBondContact O-CG1 3.41Å; H111-I115 PolarHBondContact O-N 3.45Å |
| 112 | H | 64.1 | Low | 68.6 | Low | 80 Ų | 80 | 84 Ų | 84 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 173.8 | -76.7 | 73.6 | 0 | 0 | 0 | 111.2 | L32 I108 L109 G116 | L32-H112 WeakPolarHBondContact CD2-CD2 3.27Å; L32-H112 VanDerWaalsContact CD2-NE2 3.32Å; L32-H112 WeakPolarHBondContact CD2-NE2 3.42Å; I108-H112 VanDerWaalsContact CG2-CE1 3.43Å; I108-H112 WeakPolarHBondContact CG2-CE1 3.35Å; I108-H112 WeakPolarHBondContact CG2-ND1 3.26Å; I108-H112 PolarHBondContact O-N 3.29Å; I108-H112 PolarHBondContact O-ND1 2.92Å; L109-H112 PolarHBondContact O-N 3.18Å; H112-G116 PolarHBondContact O-N 3.49Å |
| 113 | F | 70 | Confident | 69.3 | Low | 153 Ų | 153 | 80 Ų | 80 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66 | -46 | 176.4 | -169.5 | -97.3 | 0 | 0 | 0 | 112.4 | L109 S110 H111 I115 G116 F117 | L109-F113 PolarHBondContact O-N 3.11Å; S110-F113 PolarHBondContact O-N 2.88Å; H111-F113 PolarHBondContact O-N 3.31Å; F113-I115 VanDerWaalsContact C-N 3.34Å; F113-I115 PolarHBondContact O-N 3.03Å; F113-G116 PolarHBondContact O-N 3.07Å; F113-F117 WeakPolarHBondContact O-CB 3.28Å; F113-F117 PolarHBondContact O-N 2.84Å |
| 114 | V | 70.4 | Confident | 70.1 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | S110 H111 S118 | S110-V114 VanDerWaalsContact O-CG2 3.31Å; S110-V114 WeakPolarHBondContact O-CG2 3.41Å; S110-V114 PolarHBondContact O-N 2.86Å; H111-V114 PolarHBondContact O-N 2.88Å; V114-S118 WeakPolarHBondContact O-CB 3.5Å; V114-S118 PolarHBondContact O-N 2.88Å; V114-S118 PolarHBondContact O-OG 2.89Å |
| 115 | I | 66.5 | Low | 70.8 | Confident | 35 Ų | 35 | 83.9 Ų | 83.9 | 18% | 0.179 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.9 | -48.4 | 175.8 | -64.8 | 163.6 | 0 | 0 | 0 | 110.1 | L32 L43 H111 F113 F117 S118 F119 | L32-I115 HydrophobicContact CD1-CD1 3.82Å; L32-I115 HydrophobicContact CD2-CD1 4.14Å; L43-I115 HydrophobicContact CD1-CD1 3.68Å; L43-I115 HydrophobicContact CD1-CG1 4.2Å; L43-I115 HydrophobicContact CD2-CD1 3.67Å; L43-I115 HydrophobicContact CD2-CG1 4Å; L43-I115 HydrophobicContact CG-CD1 4.35Å; H111-I115 WeakPolarHBondContact O-CB 3.38Å; H111-I115 WeakPolarHBondContact O-CD1 3.29Å; H111-I115 WeakPolarHBondContact O-CG1 3.41Å; H111-I115 PolarHBondContact O-N 3.45Å; F113-I115 VanDerWaalsContact C-N 3.34Å; F113-I115 PolarHBondContact O-N 3.03Å; I115-F117 VanDerWaalsContact C-N 3.29Å; I115-F117 PolarHBondContact O-N 3.41Å; I115-S118 PolarHBondContact O-N 3.46Å; I115-F119 WeakPolarHBondContact O-CB 3.43Å; I115-F119 PolarHBondContact O-N 3.4Å |
| 116 | G | 73.4 | Confident | 71.3 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 32% | 0.32 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H112 F113 F119 L120 | H112-G116 PolarHBondContact O-N 3.49Å; F113-G116 PolarHBondContact O-N 3.07Å; G116-F119 PolarHBondContact O-N 3.28Å; G116-L120 WeakPolarHBondContact O-CB 3.22Å; G116-L120 WeakPolarHBondContact O-CG 3.44Å; G116-L120 PolarHBondContact O-N 3.27Å |
| 117 | F | 73.3 | Confident | 71.9 | Confident | 112 Ų | 112 | 79.9 Ų | 79.9 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 175.7 | -172.6 | -103.7 | 0 | 0 | 0 | 112.2 | F113 I115 F119 L120 L121 | F113-F117 WeakPolarHBondContact O-CB 3.28Å; F113-F117 PolarHBondContact O-N 2.84Å; I115-F117 VanDerWaalsContact C-N 3.29Å; I115-F117 PolarHBondContact O-N 3.41Å; F117-F119 VanDerWaalsContact C-N 3.29Å; F117-F119 PolarHBondContact O-N 2.86Å; F117-L120 PolarHBondContact O-N 3.29Å; F117-L121 HydrophobicContact CD1-CD1 3.89Å; F117-L121 HydrophobicContact CD1-CG 4.37Å; F117-L121 HydrophobicContact CE1-CD1 3.48Å; F117-L121 VanDerWaalsContact CE1-CD1 3.48Å; F117-L121 HydrophobicContact CE1-CG 4.07Å; F117-L121 HydrophobicContact CZ-CD1 4.12Å; F117-L121 HydrophobicContact CZ-CD2 4.47Å; F117-L121 HydrophobicContact CZ-CG 4.31Å; F117-L121 WeakPolarHBondContact O-CG 3.48Å; F117-L121 PolarHBondContact O-N 3.22Å |
| 118 | S | 67.8 | Low | 72.5 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 174.6 | -59 | 0 | 0 | 0 | 0 | 111.5 | V114 I115 L121 G122 | V114-S118 WeakPolarHBondContact O-CB 3.5Å; V114-S118 PolarHBondContact O-N 2.88Å; V114-S118 PolarHBondContact O-OG 2.89Å; I115-S118 PolarHBondContact O-N 3.46Å; S118-L121 PolarHBondContact O-N 2.91Å; S118-G122 PolarHBondContact O-N 3.35Å |
| 119 | F | 73.7 | Confident | 72.8 | Confident | 138 Ų | 138 | 87.5 Ų | 87.5 | 61% | 0.605 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 175.1 | -172.5 | -101.5 | 0 | 0 | 0 | 111.7 | I115 G116 F117 G122 L123 | I115-F119 WeakPolarHBondContact O-CB 3.43Å; I115-F119 PolarHBondContact O-N 3.4Å; G116-F119 PolarHBondContact O-N 3.28Å; F117-F119 VanDerWaalsContact C-N 3.29Å; F117-F119 PolarHBondContact O-N 2.86Å; F119-G122 WeakPolarHBondContact O-CA 3.4Å; F119-G122 PolarHBondContact O-N 3.44Å; F119-G122 VanDerWaalsContact O-N 3.14Å; F119-L123 HydrophobicContact CD1-CD1 3.98Å; F119-L123 HydrophobicContact CD1-CG 4.4Å; F119-L123 HydrophobicContact CE1-CD1 3.64Å; F119-L123 HydrophobicContact CE1-CG 4.12Å; F119-L123 HydrophobicContact CZ-CD1 4.41Å; F119-L123 PolarHBondContact O-N 3.14Å |
| 120 | L | 77.2 | Confident | 73.1 | Confident | 104 Ų | 104 | 86.6 Ų | 86.6 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174 | -82.2 | 159.3 | 0 | 0 | 0 | 112.2 | G116 F117 G122 L123 L124 | G116-L120 WeakPolarHBondContact O-CB 3.22Å; G116-L120 WeakPolarHBondContact O-CG 3.44Å; G116-L120 PolarHBondContact O-N 3.27Å; F117-L120 PolarHBondContact O-N 3.29Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 2.78Å; L120-L123 PolarHBondContact O-N 3.11Å; L120-L124 PolarHBondContact O-N 2.91Å |
| 121 | L | 76.3 | Confident | 73 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 173.6 | -73.4 | 177.7 | 0 | 0 | 0 | 112 | F117 S118 L124 R125 | F117-L121 HydrophobicContact CD1-CD1 3.89Å; F117-L121 HydrophobicContact CD1-CG 4.37Å; F117-L121 HydrophobicContact CE1-CD1 3.48Å; F117-L121 VanDerWaalsContact CE1-CD1 3.48Å; F117-L121 HydrophobicContact CE1-CG 4.07Å; F117-L121 HydrophobicContact CZ-CD1 4.12Å; F117-L121 HydrophobicContact CZ-CD2 4.47Å; F117-L121 HydrophobicContact CZ-CG 4.31Å; F117-L121 WeakPolarHBondContact O-CG 3.48Å; F117-L121 PolarHBondContact O-N 3.22Å; S118-L121 PolarHBondContact O-N 2.91Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-R125 WeakPolarHBondContact O-CB 3.39Å; L121-R125 PolarHBondContact O-N 3.33Å |
| 122 | G | 77.7 | Confident | 72.9 | Confident | 42 Ų | 42 | 94.4 Ų | 94.4 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S118 F119 L120 R125 L126 | S118-G122 PolarHBondContact O-N 3.35Å; F119-G122 WeakPolarHBondContact O-CA 3.4Å; F119-G122 PolarHBondContact O-N 3.44Å; F119-G122 VanDerWaalsContact O-N 3.14Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 2.78Å; G122-R125 PolarHBondContact O-N 3.3Å; G122-L126 WeakPolarHBondContact O-CB 3.46Å; G122-L126 PolarHBondContact O-N 2.7Å |
| 123 | L | 78.9 | Confident | 72.6 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.6 | -71.7 | 175.7 | 0 | 0 | 0 | 112.4 | F119 L120 R125 L126 G127 | F119-L123 HydrophobicContact CD1-CD1 3.98Å; F119-L123 HydrophobicContact CD1-CG 4.4Å; F119-L123 HydrophobicContact CE1-CD1 3.64Å; F119-L123 HydrophobicContact CE1-CG 4.12Å; F119-L123 HydrophobicContact CZ-CD1 4.41Å; F119-L123 PolarHBondContact O-N 3.14Å; L120-L123 PolarHBondContact O-N 3.11Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 2.97Å; L123-L126 PolarHBondContact O-N 2.91Å; L123-G127 PolarHBondContact O-N 3.04Å |
| 124 | L | 80.5 | Confident | 71.6 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.4 | -46 | 172.5 | -104.9 | 146.7 | 0 | 0 | 0 | 110.7 | L120 L121 G127 T128 | L120-L124 PolarHBondContact O-N 2.91Å; L121-L124 PolarHBondContact O-N 3.47Å; L124-G127 PolarHBondContact O-N 3.33Å; L124-T128 WeakPolarHBondContact O-CG2 3.49Å; L124-T128 PolarHBondContact O-N 3.17Å; L124-T128 PolarHBondContact O-OG1 2.85Å |
| 125 | R | 78.4 | Confident | 70.7 | Confident | 155 Ų | 155 | 96.1 Ų | 96.1 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 177.2 | -168.3 | 171.1 | -178.3 | 156 | -1.9 | 111.8 | L121 G122 L123 G127 T128 Y129 | L121-R125 WeakPolarHBondContact O-CB 3.39Å; L121-R125 PolarHBondContact O-N 3.33Å; G122-R125 PolarHBondContact O-N 3.3Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 2.97Å; R125-G127 VanDerWaalsContact C-N 3.34Å; R125-G127 PolarHBondContact O-N 3.23Å; R125-T128 WeakPolarHBondContact CA-OG1 3.35Å; R125-T128 PolarHBondContact O-N 3.24Å; R125-T128 PolarHBondContact O-OG1 3.41Å; R125-Y129 HydrophobicContact CG-CD2 3.94Å; R125-Y129 HydrophobicContact CG-CE2 3.71Å; R125-Y129 WeakPolarHBondContact O-CD2 3.28Å; R125-Y129 PolarHBondContact O-N 2.61Å |
| 126 | L | 76.3 | Confident | 69.9 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 173.9 | -173.3 | 70.4 | 0 | 0 | 0 | 111.5 | G122 L123 T128 Y129 L130 | G122-L126 WeakPolarHBondContact O-CB 3.46Å; G122-L126 PolarHBondContact O-N 2.7Å; L123-L126 PolarHBondContact O-N 2.91Å; L126-T128 PolarHBondContact O-N 3.43Å; L126-Y129 PolarHBondContact O-N 3.31Å; L126-L130 HydrophobicContact CG-CD1 4.23Å; L126-L130 WeakPolarHBondContact O-CG 3.2Å; L126-L130 PolarHBondContact O-N 3.32Å |
| 127 | G | 78 | Confident | 68.9 | Low | 30 Ų | 30 | 104.7 Ų | 104.7 | 31% | 0.309 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L123 L124 R125 L130 M131 | L123-G127 PolarHBondContact O-N 3.04Å; L124-G127 PolarHBondContact O-N 3.33Å; R125-G127 VanDerWaalsContact C-N 3.34Å; R125-G127 PolarHBondContact O-N 3.23Å; G127-L130 PolarHBondContact O-N 2.85Å; G127-M131 WeakPolarHBondContact O-CG 3.47Å; G127-M131 PolarHBondContact O-N 3.2Å |
| 128 | T | 78.4 | Confident | 67.8 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 173.7 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | L124 R125 L126 M131 S132 | L124-T128 WeakPolarHBondContact O-CG2 3.49Å; L124-T128 PolarHBondContact O-N 3.17Å; L124-T128 PolarHBondContact O-OG1 2.85Å; R125-T128 WeakPolarHBondContact CA-OG1 3.35Å; R125-T128 PolarHBondContact O-N 3.24Å; R125-T128 PolarHBondContact O-OG1 3.41Å; L126-T128 PolarHBondContact O-N 3.43Å; T128-M131 PolarHBondContact O-N 2.93Å; T128-S132 VanDerWaalsContact O-CB 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.18Å; T128-S132 PolarHBondContact O-N 3.16Å; T128-S132 PolarHBondContact O-OG 3.46Å; T128-S132 VanDerWaalsContact O-OG 3.14Å |
| 129 | Y | 71.3 | Confident | 66.9 | Low | 131 Ų | 131 | 110 Ų | 110 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -40.5 | 174 | -85.9 | -67.4 | 0 | 0 | 0 | 112 | R125 L126 S132 S133 | R125-Y129 HydrophobicContact CG-CD2 3.94Å; R125-Y129 HydrophobicContact CG-CE2 3.71Å; R125-Y129 WeakPolarHBondContact O-CD2 3.28Å; R125-Y129 PolarHBondContact O-N 2.61Å; L126-Y129 PolarHBondContact O-N 3.31Å; Y129-S132 WeakPolarHBondContact CA-OG 3.35Å; Y129-S132 PolarHBondContact O-N 2.81Å; Y129-S132 PolarHBondContact O-OG 2.6Å; Y129-S133 WeakPolarHBondContact O-CB 3.4Å; Y129-S133 PolarHBondContact O-N 2.98Å; Y129-S133 PolarHBondContact O-OG 2.87Å |
| 130 | L | 72 | Confident | 65.8 | Low | 109 Ų | 109 | 113.3 Ų | 113.3 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.1 | -38.5 | 176.4 | -71.4 | 171.5 | 0 | 0 | 0 | 112.1 | L126 G127 S133 | L126-L130 HydrophobicContact CG-CD1 4.23Å; L126-L130 WeakPolarHBondContact O-CG 3.2Å; L126-L130 PolarHBondContact O-N 3.32Å; G127-L130 PolarHBondContact O-N 2.85Å; L130-S133 WeakPolarHBondContact CA-OG 3.35Å; L130-S133 PolarHBondContact O-OG 3.48Å |
| 131 | M | 65.1 | Low | 64.5 | Low | 157 Ų | 157 | 114.2 Ų | 114.2 | 77% | 0.773 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.5 | -40.8 | 172.7 | -75.9 | 179.8 | 82.9 | 0 | 0 | 111.7 | G127 T128 S133 R134 | G127-M131 WeakPolarHBondContact O-CG 3.47Å; G127-M131 PolarHBondContact O-N 3.2Å; T128-M131 PolarHBondContact O-N 2.93Å; M131-S133 VanDerWaalsContact C-N 3.29Å; M131-S133 PolarHBondContact O-N 2.94Å; M131-R134 PolarHBondContact O-N 3.14Å |
| 132 | S | 61.8 | Low | 63.3 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.2 | -11.5 | 179.1 | 75 | 0 | 0 | 0 | 0 | 114.1 | T128 Y129 P135 | T128-S132 VanDerWaalsContact O-CB 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.18Å; T128-S132 PolarHBondContact O-N 3.16Å; T128-S132 PolarHBondContact O-OG 3.46Å; T128-S132 VanDerWaalsContact O-OG 3.14Å; Y129-S132 WeakPolarHBondContact CA-OG 3.35Å; Y129-S132 PolarHBondContact O-N 2.81Å; Y129-S132 PolarHBondContact O-OG 2.6Å; S132-P135 WeakPolarHBondContact O-CD 3.26Å |
| 133 | S | 57.8 | Low | 61.8 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 6.4 | 170.3 | 45.4 | 0 | 0 | 0 | 0 | 113 | Y129 L130 M131 | Y129-S133 WeakPolarHBondContact O-CB 3.4Å; Y129-S133 PolarHBondContact O-N 2.98Å; Y129-S133 PolarHBondContact O-OG 2.87Å; L130-S133 WeakPolarHBondContact CA-OG 3.35Å; L130-S133 PolarHBondContact O-OG 3.48Å; M131-S133 VanDerWaalsContact C-N 3.29Å; M131-S133 PolarHBondContact O-N 2.94Å |
| 134 | R | 49.7 | Very low | 60.5 | Low | 175 Ų | 175 | 126.9 Ų | 126.9 | 66% | 0.66 | 63% | 0.629 | S | S | * | * | trans | -100.9 | 29.8 | 165.9 | -77.8 | -160.5 | 178.8 | 176.9 | 2.9 | 117 | M131 M136 | M131-R134 PolarHBondContact O-N 3.14Å; R134-M136 PolarHBondContact O-N 3.28Å | ||
| 135 | P | 50.7 | Low | 58.6 | Low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 54.4 | 168.8 | 38.6 | -32.2 | 0 | 0 | 0 | 109.2 | S132 | S132-P135 WeakPolarHBondContact O-CD 3.26Š|
| 136 | M | 49 | Very low | 57.6 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.6 | 7.5 | 169.5 | -83.3 | -138.4 | 165.3 | 0 | 0 | 116.2 | R134 H138 M139 | R134-M136 PolarHBondContact O-N 3.28Å; M136-H138 PolarHBondContact O-N 3.31Å; M136-M139 HydrophobicContact CB-CB 4.49Å; M136-M139 HydrophobicContact CE-CE 3.27Å; M136-M139 HydrophobicContact CE-CG 4.29Å; M136-M139 HydrophobicContact CE-SD 3.3Å; M136-M139 WeakPolarHBondContact CE-SD 3.3Å; M136-M139 HydrophobicContact CG-CB 4.4Å; M136-M139 PolarHBondContact O-N 3.1Å; M136-M139 VanDerWaalsContact O-N 3.1Å; M136-M139 HydrophobicContact SD-CB 4.14Å; M136-M139 HydrophobicContact SD-CE 4.22Å; M136-M139 HydrophobicContact SD-CG 4.27Å; M136-M139 HydrophobicContact SD-SD 3.38Å |
| 137 | Q | 53.1 | Low | 56.7 | Low | 133 Ų | 133 | 130.9 Ų | 130.9 | 62% | 0.621 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -15.5 | 161.8 | -81 | -173.2 | -38.8 | 0 | 0 | 112.3 | M139 | Q137-M139 VanDerWaalsContact C-N 3.34Š|
| 138 | H | 49.5 | Very low | 55.5 | Low | 168 Ų | 168 | 136.5 Ų | 136.5 | 78% | 0.778 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -4.5 | 168.7 | -75.4 | -72.9 | 0 | 0 | 0 | 114.6 | M136 | M136-H138 PolarHBondContact O-N 3.31Š|
| 139 | M | 49.4 | Very low | 54.1 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 61% | 0.611 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -85.5 | -16 | 177.6 | -132.3 | -170.8 | -148 | 0 | 0 | 113.8 | M136 Q137 | M136-M139 HydrophobicContact CB-CB 4.49Å; M136-M139 HydrophobicContact CE-CE 3.27Å; M136-M139 HydrophobicContact CE-CG 4.29Å; M136-M139 HydrophobicContact CE-SD 3.3Å; M136-M139 WeakPolarHBondContact CE-SD 3.3Å; M136-M139 HydrophobicContact CG-CB 4.4Å; M136-M139 PolarHBondContact O-N 3.1Å; M136-M139 VanDerWaalsContact O-N 3.1Å; M136-M139 HydrophobicContact SD-CB 4.14Å; M136-M139 HydrophobicContact SD-CE 4.22Å; M136-M139 HydrophobicContact SD-CG 4.27Å; M136-M139 HydrophobicContact SD-SD 3.38Å; Q137-M139 VanDerWaalsContact C-N 3.34Å |
| 140 | Y | 50 | Low | 53 | Low | 209 Ų | 209 | 140.4 Ų | 140.4 | 82% | 0.82 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83.2 | -9.2 | -179 | -82.9 | -82.5 | 0 | 0 | 0 | 114.7 | ||
| 141 | I | 51.3 | Low | 51.8 | Low | 122 Ų | 122 | 142.5 Ų | 142.5 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -86.5 | -19.1 | -176.2 | -68.5 | 171.4 | 0 | 0 | 0 | 112.8 | ||
| 142 | N | 50.7 | Low | 50.8 | Low | 130 Ų | 130 | 141.5 Ų | 141.5 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 8.7 | -172.1 | -83.1 | 17.7 | 0 | 0 | 0 | 116.8 | ||
| 143 | N | 46.9 | Very low | 50 | Low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 30.3 | 173.5 | -80.2 | 16.7 | 0 | 0 | 0 | 113.6 | ||
| 144 | F | 51.4 | Low | 49.4 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 90% | 0.899 | 74% | 0.739 | S | S | * | * | trans | -107.6 | 37.4 | 170.2 | -137.7 | -85.5 | 0 | 0 | 0 | 113.3 | ||||
| 145 | T | 40.5 | Very low | 49.3 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 100% | 1.184 | 75% | 0.747 | S | S | * | * | trans | -132.6 | 0 | 160.1 | 43.5 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 145 of 145 residues in 180.8 ms
(Link to these results)