| 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 | 36.2 | Very low | 44.1 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 100% | 1.182 | 79% | 0.791 | S | S | * | * | 0 | 96.3 | 0 | -114.8 | 168.1 | 175.1 | 0 | 0 | 106.9 | |||||
| 2 | T | 45.7 | Very low | 44.3 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -104.4 | 92.5 | 170.3 | 38.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 3 | T | 44.3 | Very low | 44.3 | Very low | 134 Ų | 134 | 154 Ų | 154 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -66.7 | 137.9 | 169.5 | -18.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | E | 57.5 | Low | 44.5 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -51.5 | 177.4 | 168.6 | -79.7 | 167.9 | 80.1 | 0 | 0 | 113.8 | ||||
| 5 | E | 42.4 | Very low | 44.9 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | 88.8 | 116.8 | -179.6 | -50.4 | -173.5 | 124.6 | 0 | 0 | 110.7 | ||||
| 6 | D | 42 | Very low | 45.4 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | -174.2 | 109 | 50.1 | -168.6 | -108.5 | 0 | 0 | 0 | 106.9 | P8 | D6-P8 WeakPolarHBondContact OD1-CD 3.44Å; D6-P8 WeakPolarHBondContact OD1-CG 3.49Å; D6-P8 WeakPolarHBondContact OD2-CD 3.49Å; D6-P8 WeakPolarHBondContact OD2-CG 3.39Å | |||
| 7 | K | 38.1 | Very low | 45.7 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | trans | -132.6 | 67 | 150.6 | -153.9 | 176.7 | -173.4 | -179.8 | 0 | 109.9 | ||||
| 8 | P | 40.2 | Very low | 45.9 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 49% | 0.487 | 73% | 0.734 | S | S | . | * | trans | -71.1 | 133 | 170.3 | 32.7 | -32.9 | 0 | 0 | 0 | 108.2 | D6 | D6-P8 WeakPolarHBondContact OD1-CD 3.44Å; D6-P8 WeakPolarHBondContact OD1-CG 3.49Å; D6-P8 WeakPolarHBondContact OD2-CD 3.49Å; D6-P8 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 9 | N | 46.6 | Very low | 46.1 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | S | Bend | 75.7 | 42.3 | 125.1 | -149.3 | -0.8 | 0 | 0 | 0 | 118.1 | |||
| 10 | S | 47 | Very low | 46.2 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107 | -23.1 | 159.3 | 73.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 11 | E | 45.8 | Very low | 46.4 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -84.6 | -13.7 | 179 | -77.9 | -162.5 | 99 | 0 | 0 | 114.2 | K22 | E11-K22 IonicContact OE1-NZ 3.94Š|
| 12 | Q | 46.1 | Very low | 47 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -11.4 | -169.2 | -148.7 | 175 | -23.7 | 0 | 0 | 114 | ||
| 13 | K | 44 | Very low | 47.5 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 79% | 0.787 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 9.3 | -172.6 | -130.5 | -177.3 | -177.2 | -176.9 | 0 | 115.6 | T15 | K13-T15 PolarHBondContact O-N 3.32Š|
| 14 | T | 47.6 | Very low | 48.2 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 47% | 0.466 | 65% | 0.647 | S | S | . | * | trans | -89.9 | 63.9 | 164 | 20.8 | 0 | 0 | 0 | 0 | 109.5 | G16 W18 | T14-G16 PolarHBondContact O-N 3.04Å; T14-W18 HydrophobicContact CG2-CB 4Å; T14-W18 HydrophobicContact CG2-CG 3.89Å | ||
| 15 | T | 50.8 | Low | 48.3 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | trans | -62.8 | 120.2 | -179.1 | 31.7 | 0 | 0 | 0 | 0 | 111.7 | K13 I17 | K13-T15 PolarHBondContact O-N 3.32Å; T15-I17 PolarHBondContact O-N 3.22Å | ||
| 16 | G | 51.9 | Low | 49.3 | Very low | 47 Ų | 47 | 116.6 Ų | 116.6 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | S | Bend | trans | 87.8 | -79.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T14 L20 | T14-G16 PolarHBondContact O-N 3.04Å; G16-L20 WeakPolarHBondContact O-CD1 3.49Å; G16-L20 PolarHBondContact O-N 2.96Å |
| 17 | I | 51.5 | Low | 50.5 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.4 | -39.4 | -161.6 | -53 | 171.2 | 0 | 0 | 0 | 111.8 | T15 L20 L21 | T15-I17 PolarHBondContact O-N 3.22Å; I17-L20 WeakPolarHBondContact O-CB 3.48Å; I17-L20 PolarHBondContact O-N 3.25Å; I17-L21 HydrophobicContact CG2-CD1 4.02Å; I17-L21 WeakPolarHBondContact O-CD1 3.48Å; I17-L21 PolarHBondContact O-N 3.37Å |
| 18 | W | 47.8 | Very low | 51.6 | Low | 180 Ų | 180 | 110.2 Ų | 110.2 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.7 | -31.5 | 178.7 | -86 | 90 | 0 | 0 | 0 | 113.1 | T14 L20 L21 K22 | T14-W18 HydrophobicContact CG2-CB 4Å; T14-W18 HydrophobicContact CG2-CG 3.89Å; W18-L20 VanDerWaalsContact C-N 3.34Å; W18-L21 PolarHBondContact O-N 3.5Å; W18-K22 WeakPolarHBondContact O-CB 3.46Å; W18-K22 PolarHBondContact O-N 2.98Å |
| 19 | R | 50.4 | Low | 52.8 | Low | 204 Ų | 204 | 107.2 Ų | 107.2 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 174.5 | -143.6 | -173.1 | -134.2 | -168.1 | 3.6 | 110.8 | K22 E23 | R19-K22 PolarHBondContact O-N 3.44Å; R19-E23 PolarHBondContact O-N 3.08Å |
| 20 | L | 49 | Very low | 53.7 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 41% | 0.414 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 170.5 | -81 | 150.5 | 0 | 0 | 0 | 111 | G16 I17 W18 K22 E23 F26 | G16-L20 WeakPolarHBondContact O-CD1 3.49Å; G16-L20 PolarHBondContact O-N 2.96Å; I17-L20 WeakPolarHBondContact O-CB 3.48Å; I17-L20 PolarHBondContact O-N 3.25Å; W18-L20 VanDerWaalsContact C-N 3.34Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.97Å; L20-E23 WeakPolarHBondContact O-CB 3.46Å; L20-E23 PolarHBondContact O-N 3.17Å; L20-F26 HydrophobicContact CB-CD1 4.15Å; L20-F26 HydrophobicContact CB-CD2 4.32Å; L20-F26 HydrophobicContact CB-CE1 4.42Å; L20-F26 HydrophobicContact CB-CG 4.1Å; L20-F26 HydrophobicContact CD2-CD2 3.86Å; L20-F26 HydrophobicContact CD2-CE2 4.21Å; L20-F26 HydrophobicContact CD2-CG 4.34Å; L20-F26 WeakPolarHBondContact O-CB 3.23Å |
| 21 | L | 50.6 | Low | 54.9 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -31.1 | 176.6 | -85.4 | 143.2 | 0 | 0 | 0 | 114.2 | I17 W18 E23 F26 V27 | I17-L21 HydrophobicContact CG2-CD1 4.02Å; I17-L21 WeakPolarHBondContact O-CD1 3.48Å; I17-L21 PolarHBondContact O-N 3.37Å; W18-L21 PolarHBondContact O-N 3.5Å; L21-E23 PolarHBondContact O-N 3.25Å; L21-F26 HydrophobicContact CG-CD1 4.44Å; L21-V27 HydrophobicContact CD2-CG2 4.36Å; L21-V27 WeakPolarHBondContact O-CG2 3.33Å |
| 22 | K | 48.9 | Very low | 56.1 | Low | 160 Ų | 160 | 102.3 Ų | 102.3 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.7 | -20.9 | 176.9 | -161.7 | 171.5 | -177.8 | 173.4 | 0 | 111.8 | E11 W18 R19 L20 P24 | E11-K22 IonicContact OE1-NZ 3.94Å; W18-K22 WeakPolarHBondContact O-CB 3.46Å; W18-K22 PolarHBondContact O-N 2.98Å; R19-K22 PolarHBondContact O-N 3.44Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.97Å; K22-P24 VanDerWaalsContact O-CD 3.31Å; K22-P24 WeakPolarHBondContact O-CD 3.42Å |
| 23 | E | 55.7 | Low | 57.3 | Low | 83 Ų | 83 | 94.8 Ų | 94.8 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -78 | 110.9 | 175.1 | -139.5 | 147.9 | -168.5 | 0 | 0 | 108.1 | R19 L20 L21 C25 F26 K77 | R19-E23 PolarHBondContact O-N 3.08Å; L20-E23 WeakPolarHBondContact O-CB 3.46Å; L20-E23 PolarHBondContact O-N 3.17Å; L21-E23 PolarHBondContact O-N 3.25Å; E23-C25 PolarHBondContact O-N 2.87Å; E23-F26 PolarHBondContact O-N 3.07Å; E23-K77 IonicContact OE1-NZ 2.86Å; E23-K77 PolarHBondContact OE1-NZ 2.9Å |
| 24 | P | 58.7 | Low | 58.9 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.5 | -23.2 | -173 | 22.9 | -33.8 | 0 | 0 | 0 | 112.2 | K22 R28 | K22-P24 VanDerWaalsContact O-CD 3.31Å; K22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-R28 WeakPolarHBondContact O-CB 3.49Å; P24-R28 WeakPolarHBondContact O-CG 3.49Å; P24-R28 PolarHBondContact O-N 2.89Å |
| 25 | C | 59.6 | Low | 60.4 | Low | 28 Ų | 28 | 92.9 Ų | 92.9 | 19% | 0.189 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 171.5 | -85.7 | 0 | 0 | 0 | 0 | 114.1 | E23 V27 R28 C29 C73 | E23-C25 PolarHBondContact O-N 2.87Å; C25-V27 PolarHBondContact O-N 2.92Å; C25-R28 PolarHBondContact O-N 3.04Å; C25-C29 WeakPolarHBondContact O-CB 3.47Å; C25-C29 PolarHBondContact O-N 3.33Å; C25-C29 PolarHBondContact O-SG 3.28Å; C25-C73 WeakPolarHBondContact CA-SG 3.14Å; C25-C73 HydrophobicContact CB-CB 3.76Å; C25-C73 WeakPolarHBondContact CB-SG 3.47Å; C25-C73 WeakPolarHBondContact SG-CB 3.41Å; C25-C73 PolarHBondContact SG-O 2.67Å; C25-C73 CovalentContact SG-SG 2.03Å; C25-C73 PolarHBondContact SG-SG 3.23Å |
| 26 | F | 63.8 | Low | 61.6 | Low | 66 Ų | 66 | 88.3 Ų | 88.3 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | -176.6 | -174.6 | -103.2 | 0 | 0 | 0 | 111.3 | L20 L21 E23 C29 Q30 | L20-F26 HydrophobicContact CB-CD1 4.15Å; L20-F26 HydrophobicContact CB-CD2 4.32Å; L20-F26 HydrophobicContact CB-CE1 4.42Å; L20-F26 HydrophobicContact CB-CG 4.1Å; L20-F26 HydrophobicContact CD2-CD2 3.86Å; L20-F26 HydrophobicContact CD2-CE2 4.21Å; L20-F26 HydrophobicContact CD2-CG 4.34Å; L20-F26 WeakPolarHBondContact O-CB 3.23Å; L21-F26 HydrophobicContact CG-CD1 4.44Å; E23-F26 PolarHBondContact O-N 3.07Å; F26-C29 PolarHBondContact O-N 3.4Å; F26-Q30 HydrophobicContact CD1-CG 4.25Å; F26-Q30 HydrophobicContact CE1-CG 3.89Å; F26-Q30 HydrophobicContact CE2-CG 4.37Å; F26-Q30 HydrophobicContact CZ-CG 3.96Å; F26-Q30 WeakPolarHBondContact O-CG 3.34Å; F26-Q30 PolarHBondContact O-N 2.94Å |
| 27 | V | 66.1 | Low | 62.7 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | L21 C25 C29 Q30 C31 | L21-V27 HydrophobicContact CD2-CG2 4.36Å; L21-V27 WeakPolarHBondContact O-CG2 3.33Å; C25-V27 PolarHBondContact O-N 2.92Å; V27-C29 PolarHBondContact O-N 2.9Å; V27-Q30 PolarHBondContact O-N 3.33Å; V27-C31 WeakPolarHBondContact O-CB 3.31Å; V27-C31 PolarHBondContact O-N 3.15Å; V27-C31 PolarHBondContact O-SG 3.43Å |
| 28 | R | 62.5 | Low | 64.1 | Low | 136 Ų | 136 | 86.8 Ų | 86.8 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.7 | -77.1 | -178.5 | 179.1 | -173.6 | 0.3 | 111.3 | P24 C25 Q30 C31 Y32 E76 | P24-R28 WeakPolarHBondContact O-CB 3.49Å; P24-R28 WeakPolarHBondContact O-CG 3.49Å; P24-R28 PolarHBondContact O-N 2.89Å; C25-R28 PolarHBondContact O-N 3.04Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.25Å; R28-C31 PolarHBondContact O-N 3.47Å; R28-Y32 HydrophobicContact CB-CD2 4.28Å; R28-Y32 HydrophobicContact CB-CE2 4.15Å; R28-Y32 WeakPolarHBondContact O-CD2 3.2Å; R28-Y32 PolarHBondContact O-N 3.35Å; R28-E76 IonicContact NH1-OE2 3.88Å |
| 29 | C | 64 | Low | 65.7 | Low | 12 Ų | 12 | 86 Ų | 86 | 8% | 0.081 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 178.7 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | C25 F26 V27 Y32 G33 S69 Y70 | C25-C29 WeakPolarHBondContact O-CB 3.47Å; C25-C29 PolarHBondContact O-N 3.33Å; C25-C29 PolarHBondContact O-SG 3.28Å; F26-C29 PolarHBondContact O-N 3.4Å; V27-C29 PolarHBondContact O-N 2.9Å; C29-Y32 PolarHBondContact O-N 2.96Å; C29-G33 PolarHBondContact O-N 3.22Å; C29-S69 PolarHBondContact SG-O 3.22Å; C29-S69 VanDerWaalsContact SG-O 3.34Å; C29-Y70 VanDerWaalsContact SG-CA 3.57Å |
| 30 | Q | 65.3 | Low | 67.1 | Low | 63 Ų | 63 | 78.4 Ų | 78.4 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 178 | -70.4 | -75.8 | 51.9 | 0 | 0 | 111.6 | F26 V27 R28 G33 I34 Y62 | F26-Q30 HydrophobicContact CD1-CG 4.25Å; F26-Q30 HydrophobicContact CE1-CG 3.89Å; F26-Q30 HydrophobicContact CE2-CG 4.37Å; F26-Q30 HydrophobicContact CZ-CG 3.96Å; F26-Q30 WeakPolarHBondContact O-CG 3.34Å; F26-Q30 PolarHBondContact O-N 2.94Å; V27-Q30 PolarHBondContact O-N 3.33Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.25Å; Q30-G33 PolarHBondContact O-N 3.06Å; Q30-I34 WeakPolarHBondContact O-CB 3.22Å; Q30-I34 WeakPolarHBondContact O-CD1 3.39Å; Q30-I34 WeakPolarHBondContact O-CG1 3.49Å; Q30-I34 PolarHBondContact O-N 3.45Å; Q30-Y62 PolarHBondContact OE1-OH 3.29Å |
| 31 | C | 72.4 | Confident | 68.5 | Low | 68 Ų | 68 | 76.8 Ų | 76.8 | 46% | 0.459 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | V27 R28 I34 L35 | V27-C31 WeakPolarHBondContact O-CB 3.31Å; V27-C31 PolarHBondContact O-N 3.15Å; V27-C31 PolarHBondContact O-SG 3.43Å; R28-C31 PolarHBondContact O-N 3.47Å; C31-I34 PolarHBondContact O-N 3.02Å; C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 WeakPolarHBondContact O-CG 3.36Å; C31-L35 PolarHBondContact O-N 3.27Å |
| 32 | Y | 71.9 | Confident | 70 | Confident | 136 Ų | 136 | 77.6 Ų | 77.6 | 53% | 0.533 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.8 | -73.7 | -65 | 0 | 0 | 0 | 111.8 | R28 C29 I34 L35 G36 V65 S69 | R28-Y32 HydrophobicContact CB-CD2 4.28Å; R28-Y32 HydrophobicContact CB-CE2 4.15Å; R28-Y32 WeakPolarHBondContact O-CD2 3.2Å; R28-Y32 PolarHBondContact O-N 3.35Å; C29-Y32 PolarHBondContact O-N 2.96Å; Y32-I34 PolarHBondContact O-N 3.41Å; Y32-L35 PolarHBondContact O-N 2.9Å; Y32-G36 PolarHBondContact O-N 3.45Å; Y32-V65 VanDerWaalsContact O-CG1 3.29Å; Y32-V65 WeakPolarHBondContact O-CG1 3.45Å; Y32-S69 WeakPolarHBondContact CB-OG 2.94Å |
| 33 | G | 71.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C29 Q30 A37 | C29-G33 PolarHBondContact O-N 3.22Å; Q30-G33 PolarHBondContact O-N 3.06Å; G33-A37 WeakPolarHBondContact O-CB 3.21Å; G33-A37 PolarHBondContact O-N 3.49Å |
| 34 | I | 77.2 | Confident | 72.5 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.5 | -67.5 | 163.5 | 0 | 0 | 0 | 110.9 | Q30 C31 Y32 A37 F38 | Q30-I34 WeakPolarHBondContact O-CB 3.22Å; Q30-I34 WeakPolarHBondContact O-CD1 3.39Å; Q30-I34 WeakPolarHBondContact O-CG1 3.49Å; Q30-I34 PolarHBondContact O-N 3.45Å; C31-I34 PolarHBondContact O-N 3.02Å; Y32-I34 PolarHBondContact O-N 3.41Å; I34-A37 PolarHBondContact O-N 3.08Å; I34-F38 WeakPolarHBondContact O-CB 3.42Å; I34-F38 PolarHBondContact O-N 2.89Å |
| 35 | L | 78.5 | Confident | 73.4 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 178.5 | -84.9 | 161.1 | 0 | 0 | 0 | 111.9 | C31 Y32 F38 F39 | C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 WeakPolarHBondContact O-CG 3.36Å; C31-L35 PolarHBondContact O-N 3.27Å; Y32-L35 PolarHBondContact O-N 2.9Å; L35-F38 PolarHBondContact O-N 2.89Å; L35-F39 PolarHBondContact O-N 3.38Å |
| 36 | G | 75.5 | Confident | 74.5 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y32 F38 F39 V40 | Y32-G36 PolarHBondContact O-N 3.45Å; G36-F38 VanDerWaalsContact C-N 3.35Å; G36-F38 PolarHBondContact O-N 3.46Å; G36-F39 PolarHBondContact O-N 2.93Å; G36-V40 PolarHBondContact O-N 3.27Å |
| 37 | A | 76.5 | Confident | 75.2 | Confident | 14 Ų | 14 | 76.9 Ų | 76.9 | 12% | 0.116 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G33 I34 V40 C41 Y62 | G33-A37 WeakPolarHBondContact O-CB 3.21Å; G33-A37 PolarHBondContact O-N 3.49Å; I34-A37 PolarHBondContact O-N 3.08Å; A37-V40 PolarHBondContact O-N 3.5Å; A37-C41 VanDerWaalsContact O-CB 3.27Å; A37-C41 WeakPolarHBondContact O-CB 3.04Å; A37-C41 PolarHBondContact O-N 3.4Å; A37-C41 PolarHBondContact O-SG 3.43Å; A37-Y62 HydrophobicContact CB-CD2 4.36Å |
| 38 | F | 79.4 | Confident | 75.9 | Confident | 124 Ų | 124 | 76.7 Ų | 76.7 | 54% | 0.544 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.7 | -172.2 | -105.1 | 0 | 0 | 0 | 111.6 | I34 L35 G36 V40 C41 L42 | I34-F38 WeakPolarHBondContact O-CB 3.42Å; I34-F38 PolarHBondContact O-N 2.89Å; L35-F38 PolarHBondContact O-N 2.89Å; G36-F38 VanDerWaalsContact C-N 3.35Å; G36-F38 PolarHBondContact O-N 3.46Å; F38-V40 PolarHBondContact O-N 3.39Å; F38-C41 PolarHBondContact O-N 3.22Å; F38-L42 HydrophobicContact CD1-CD1 3.78Å; F38-L42 HydrophobicContact CD1-CG 4.4Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CG 4.14Å; F38-L42 HydrophobicContact CZ-CD1 3.76Å; F38-L42 HydrophobicContact CZ-CD2 4.47Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 3.04Å |
| 39 | F | 82.9 | Confident | 76.5 | Confident | 163 Ų | 163 | 73.1 Ų | 73.1 | 72% | 0.715 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 179.1 | -139.9 | -94.6 | 0 | 0 | 0 | 112.1 | L35 G36 L42 G43 | L35-F39 PolarHBondContact O-N 3.38Å; G36-F39 PolarHBondContact O-N 2.93Å; F39-L42 PolarHBondContact O-N 3.42Å; F39-G43 PolarHBondContact O-N 2.9Å |
| 40 | V | 78.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | G36 A37 F38 L42 G43 T44 F57 T61 | G36-V40 PolarHBondContact O-N 3.27Å; A37-V40 PolarHBondContact O-N 3.5Å; F38-V40 PolarHBondContact O-N 3.39Å; V40-L42 PolarHBondContact O-N 2.91Å; V40-G43 PolarHBondContact O-N 3.32Å; V40-T44 HydrophobicContact CG1-CG2 3.83Å; V40-T44 WeakPolarHBondContact O-CB 3.34Å; V40-T44 WeakPolarHBondContact O-CG2 3.48Å; V40-T44 PolarHBondContact O-N 2.84Å; V40-T44 PolarHBondContact O-OG1 3.34Å; V40-F57 HydrophobicContact CG1-CB 4.38Å; V40-T61 HydrophobicContact CB-CG2 3.86Å; V40-T61 HydrophobicContact CG1-CG2 4.39Å; V40-T61 WeakPolarHBondContact CG1-OG1 3.13Å; V40-T61 HydrophobicContact CG2-CG2 3.46Å; V40-T61 VanDerWaalsContact CG2-CG2 3.46Å |
| 41 | C | 78.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 75 Ų | 75 | 30% | 0.297 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 174.2 | -79.9 | 0 | 0 | 0 | 0 | 111 | A37 F38 T44 F45 V54 | A37-C41 VanDerWaalsContact O-CB 3.27Å; A37-C41 WeakPolarHBondContact O-CB 3.04Å; A37-C41 PolarHBondContact O-N 3.4Å; A37-C41 PolarHBondContact O-SG 3.43Å; F38-C41 PolarHBondContact O-N 3.22Å; C41-T44 PolarHBondContact O-OG1 2.78Å; C41-F45 WeakPolarHBondContact O-CB 3.18Å; C41-F45 PolarHBondContact O-N 2.86Å; C41-V54 HydrophobicContact CB-CG1 4.16Å |
| 42 | L | 81.9 | Confident | 78.2 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 176.4 | -72.1 | 179.1 | 0 | 0 | 0 | 112.4 | F38 F39 V40 F45 G46 | F38-L42 HydrophobicContact CD1-CD1 3.78Å; F38-L42 HydrophobicContact CD1-CG 4.4Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CG 4.14Å; F38-L42 HydrophobicContact CZ-CD1 3.76Å; F38-L42 HydrophobicContact CZ-CD2 4.47Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 3.04Å; F39-L42 PolarHBondContact O-N 3.42Å; V40-L42 PolarHBondContact O-N 2.91Å; L42-F45 PolarHBondContact O-N 3.22Å; L42-G46 PolarHBondContact O-N 2.74Å |
| 43 | G | 79.7 | Confident | 78.6 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F39 V40 G46 L47 | F39-G43 PolarHBondContact O-N 2.9Å; V40-G43 PolarHBondContact O-N 3.32Å; G43-G46 PolarHBondContact O-N 3.25Å; G43-L47 WeakPolarHBondContact O-CB 3.35Å; G43-L47 PolarHBondContact O-N 2.98Å |
| 44 | T | 77.7 | Confident | 79 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 15% | 0.153 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.9 | -35 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | V40 C41 L47 T48 F57 | V40-T44 HydrophobicContact CG1-CG2 3.83Å; V40-T44 WeakPolarHBondContact O-CB 3.34Å; V40-T44 WeakPolarHBondContact O-CG2 3.48Å; V40-T44 PolarHBondContact O-N 2.84Å; V40-T44 PolarHBondContact O-OG1 3.34Å; C41-T44 PolarHBondContact O-OG1 2.78Å; T44-L47 PolarHBondContact O-N 3.25Å; T44-T48 PolarHBondContact O-N 3.37Å; T44-T48 PolarHBondContact O-OG1 2.87Å; T44-F57 HydrophobicContact CG2-CB 3.99Å; T44-F57 HydrophobicContact CG2-CD2 4.41Å; T44-F57 HydrophobicContact CG2-CG 4.22Å |
| 45 | F | 79 | Confident | 79.1 | Confident | 123 Ų | 123 | 76.7 Ų | 76.7 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 174.7 | -173.4 | -95.9 | 0 | 0 | 0 | 110.9 | C41 L42 L47 G49 V54 | C41-F45 WeakPolarHBondContact O-CB 3.18Å; C41-F45 PolarHBondContact O-N 2.86Å; L42-F45 PolarHBondContact O-N 3.22Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.48Å; F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.38Å; F45-V54 HydrophobicContact CB-CG1 4.48Å; F45-V54 HydrophobicContact CB-CG2 3.91Å; F45-V54 HydrophobicContact CD2-CG2 4.19Å |
| 46 | G | 81.8 | Confident | 79.3 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.9 | -36.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L42 G43 | L42-G46 PolarHBondContact O-N 2.74Å; G43-G46 PolarHBondContact O-N 3.25Å |
| 47 | L | 78.3 | Confident | 79.6 | Confident | 157 Ų | 157 | 84.9 Ų | 84.9 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -82.2 | -39.8 | -176.3 | -135 | 104.1 | 0 | 0 | 0 | 114.1 | G43 T44 F45 | G43-L47 WeakPolarHBondContact O-CB 3.35Å; G43-L47 PolarHBondContact O-N 2.98Å; T44-L47 PolarHBondContact O-N 3.25Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.48Å |
| 48 | T | 80.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -110.3 | -16.4 | -170.7 | 54 | 0 | 0 | 0 | 0 | 114.5 | T44 S50 K53 | T44-T48 PolarHBondContact O-N 3.37Å; T44-T48 PolarHBondContact O-OG1 2.87Å; T48-S50 PolarHBondContact O-N 2.85Å; T48-K53 HydrophobicContact CG2-CD 4.38Å |
| 49 | G | 75.6 | Confident | 79.7 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 62% | 0.619 | 47% | 0.469 | S | S | * | . | trans | 57.9 | 9.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F45 | F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.38Å | ||
| 50 | S | 78.8 | Confident | 79.8 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 31% | 0.308 | 46% | 0.461 | S | S | . | . | trans | -121.1 | 107.9 | -168.9 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | T48 A52 K53 V54 | T48-S50 PolarHBondContact O-N 2.85Å; S50-A52 PolarHBondContact O-N 2.88Å; S50-A52 VanDerWaalsContact O-N 3.16Å; S50-K53 PolarHBondContact O-N 3.49Å; S50-K53 VanDerWaalsContact O-N 3.08Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.32Å; S50-V54 VanDerWaalsContact O-N 3.12Å | ||
| 51 | A | 76.3 | Confident | 79.9 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -55.1 | -35.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K53 V54 H55 | A51-K53 PolarHBondContact O-N 2.03Å; A51-V54 PolarHBondContact O-N 3.07Å; A51-H55 WeakPolarHBondContact O-CB 3.37Å; A51-H55 PolarHBondContact O-N 3.37Å |
| 52 | A | 82.6 | Confident | 79.9 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S50 R56 | S50-A52 PolarHBondContact O-N 2.88Å; S50-A52 VanDerWaalsContact O-N 3.16Å; A52-R56 PolarHBondContact O-N 3.32Å |
| 53 | K | 78.5 | Confident | 79.9 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 50% | 0.504 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.6 | -44.2 | 176.1 | -70 | 176.6 | -176.5 | 159.8 | 0 | 110.3 | T48 S50 A51 H55 R56 F57 | T48-K53 HydrophobicContact CG2-CD 4.38Å; S50-K53 PolarHBondContact O-N 3.49Å; S50-K53 VanDerWaalsContact O-N 3.08Å; A51-K53 PolarHBondContact O-N 2.03Å; K53-H55 VanDerWaalsContact C-N 3.27Å; K53-H55 PolarHBondContact O-N 3.34Å; K53-R56 PolarHBondContact O-N 3.29Å; K53-R56 VanDerWaalsContact O-N 3.14Å; K53-F57 HydrophobicContact CB-CD2 4.45Å; K53-F57 VanDerWaalsContact O-CD2 3.23Å; K53-F57 WeakPolarHBondContact O-CD2 3.33Å; K53-F57 PolarHBondContact O-N 3.43Å |
| 54 | V | 80.5 | Confident | 80 | Confident | 15 Ų | 15 | 84.5 Ų | 84.5 | 9% | 0.091 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.4 | -43.8 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | C41 F45 S50 A51 R56 F57 G58 | C41-V54 HydrophobicContact CB-CG1 4.16Å; F45-V54 HydrophobicContact CB-CG1 4.48Å; F45-V54 HydrophobicContact CB-CG2 3.91Å; F45-V54 HydrophobicContact CD2-CG2 4.19Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.32Å; S50-V54 VanDerWaalsContact O-N 3.12Å; A51-V54 PolarHBondContact O-N 3.07Å; V54-R56 PolarHBondContact O-N 3.49Å; V54-F57 PolarHBondContact O-N 2.83Å; V54-G58 WeakPolarHBondContact O-CA 3.4Å; V54-G58 PolarHBondContact O-N 2.89Å |
| 55 | H | 79.6 | Confident | 80.1 | Confident | 143 Ų | 143 | 85 Ų | 85 | 66% | 0.662 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 178.8 | -168.3 | -83.8 | 0 | 0 | 0 | 112.8 | A51 K53 S59 | A51-H55 WeakPolarHBondContact O-CB 3.37Å; A51-H55 PolarHBondContact O-N 3.37Å; K53-H55 VanDerWaalsContact C-N 3.27Å; K53-H55 PolarHBondContact O-N 3.34Å; H55-S59 WeakPolarHBondContact O-CB 3.47Å; H55-S59 PolarHBondContact O-N 3.34Å; H55-S59 PolarHBondContact O-OG 2.89Å |
| 56 | R | 82.4 | Confident | 80.1 | Confident | 191 Ų | 191 | 80.3 Ų | 80.3 | 72% | 0.721 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.3 | -45 | 176.4 | -74.9 | -173.1 | 177.7 | 167.8 | 0.4 | 112.3 | A52 K53 V54 S59 I60 | A52-R56 PolarHBondContact O-N 3.32Å; K53-R56 PolarHBondContact O-N 3.29Å; K53-R56 VanDerWaalsContact O-N 3.14Å; V54-R56 PolarHBondContact O-N 3.49Å; R56-S59 PolarHBondContact O-OG 3.38Å; R56-S59 VanDerWaalsContact O-OG 3.1Å; R56-I60 WeakPolarHBondContact O-CD1 3.32Å; R56-I60 VanDerWaalsContact O-CG1 3.26Å; R56-I60 WeakPolarHBondContact O-CG1 3.28Å; R56-I60 PolarHBondContact O-N 3.19Å |
| 57 | F | 82.1 | Confident | 80.1 | Confident | 113 Ų | 113 | 80 Ų | 80 | 50% | 0.496 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 177.2 | -78.5 | -71.4 | 0 | 0 | 0 | 111.8 | V40 T44 K53 V54 T61 | V40-F57 HydrophobicContact CG1-CB 4.38Å; T44-F57 HydrophobicContact CG2-CB 3.99Å; T44-F57 HydrophobicContact CG2-CD2 4.41Å; T44-F57 HydrophobicContact CG2-CG 4.22Å; K53-F57 HydrophobicContact CB-CD2 4.45Å; K53-F57 VanDerWaalsContact O-CD2 3.23Å; K53-F57 WeakPolarHBondContact O-CD2 3.33Å; K53-F57 PolarHBondContact O-N 3.43Å; V54-F57 PolarHBondContact O-N 2.83Å; F57-T61 VanDerWaalsContact O-CB 3.26Å; F57-T61 WeakPolarHBondContact O-CB 3.35Å; F57-T61 PolarHBondContact O-N 3.38Å; F57-T61 PolarHBondContact O-OG1 2.95Å |
| 58 | G | 77.7 | Confident | 80.1 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 7% | 0.072 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V54 T61 Y62 | V54-G58 WeakPolarHBondContact O-CA 3.4Å; V54-G58 PolarHBondContact O-N 2.89Å; G58-T61 PolarHBondContact O-N 3.48Å; G58-Y62 VanDerWaalsContact O-CB 3.29Å; G58-Y62 WeakPolarHBondContact O-CB 3.37Å; G58-Y62 PolarHBondContact O-N 3.25Å |
| 59 | S | 79.8 | Confident | 79.9 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 42% | 0.42 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 178.9 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | H55 R56 Y62 F63 | H55-S59 WeakPolarHBondContact O-CB 3.47Å; H55-S59 PolarHBondContact O-N 3.34Å; H55-S59 PolarHBondContact O-OG 2.89Å; R56-S59 PolarHBondContact O-OG 3.38Å; R56-S59 VanDerWaalsContact O-OG 3.1Å; S59-Y62 PolarHBondContact O-N 3.44Å; S59-F63 PolarHBondContact O-N 2.91Å |
| 60 | I | 84.4 | Confident | 79.9 | Confident | 104 Ų | 104 | 78.2 Ų | 78.2 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.5 | -66.1 | 167 | 0 | 0 | 0 | 109.9 | R56 F63 V64 | R56-I60 WeakPolarHBondContact O-CD1 3.32Å; R56-I60 VanDerWaalsContact O-CG1 3.26Å; R56-I60 WeakPolarHBondContact O-CG1 3.28Å; R56-I60 PolarHBondContact O-N 3.19Å; I60-F63 PolarHBondContact O-N 3.46Å; I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CG2 3.31Å; I60-V64 PolarHBondContact O-N 2.96Å |
| 61 | T | 80.9 | Confident | 79.9 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 15% | 0.153 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | V40 F57 G58 F63 V64 V65 | V40-T61 HydrophobicContact CB-CG2 3.86Å; V40-T61 HydrophobicContact CG1-CG2 4.39Å; V40-T61 WeakPolarHBondContact CG1-OG1 3.13Å; V40-T61 HydrophobicContact CG2-CG2 3.46Å; V40-T61 VanDerWaalsContact CG2-CG2 3.46Å; F57-T61 VanDerWaalsContact O-CB 3.26Å; F57-T61 WeakPolarHBondContact O-CB 3.35Å; F57-T61 PolarHBondContact O-N 3.38Å; F57-T61 PolarHBondContact O-OG1 2.95Å; G58-T61 PolarHBondContact O-N 3.48Å; T61-F63 VanDerWaalsContact C-N 3.26Å; T61-F63 PolarHBondContact O-N 2.83Å; T61-V64 PolarHBondContact O-N 3.34Å; T61-V65 HydrophobicContact CG2-CG2 3.81Å; T61-V65 WeakPolarHBondContact O-CB 3.49Å; T61-V65 VanDerWaalsContact O-CG2 3.27Å; T61-V65 WeakPolarHBondContact O-CG2 3.42Å; T61-V65 PolarHBondContact O-N 2.86Å |
| 62 | Y | 80 | Confident | 79.8 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 38% | 0.376 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55 | -45.6 | 176.3 | 174.7 | -101.3 | 0 | 0 | 0 | 110.9 | Q30 A37 G58 S59 S66 | Q30-Y62 PolarHBondContact OE1-OH 3.29Å; A37-Y62 HydrophobicContact CB-CD2 4.36Å; G58-Y62 VanDerWaalsContact O-CB 3.29Å; G58-Y62 WeakPolarHBondContact O-CB 3.37Å; G58-Y62 PolarHBondContact O-N 3.25Å; S59-Y62 PolarHBondContact O-N 3.44Å; Y62-S66 WeakPolarHBondContact CE2-OG 3.36Å; Y62-S66 WeakPolarHBondContact O-CB 3.48Å; Y62-S66 PolarHBondContact O-N 3.49Å; Y62-S66 PolarHBondContact O-OG 2.91Å |
| 63 | F | 81.6 | Confident | 79.4 | Confident | 152 Ų | 152 | 79.9 Ų | 79.9 | 67% | 0.667 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 178 | -172.7 | -98.3 | 0 | 0 | 0 | 112.2 | S59 I60 T61 S67 | S59-F63 PolarHBondContact O-N 2.91Å; I60-F63 PolarHBondContact O-N 3.46Å; T61-F63 VanDerWaalsContact C-N 3.26Å; T61-F63 PolarHBondContact O-N 2.83Å; F63-S67 VanDerWaalsContact O-CB 3.28Å; F63-S67 WeakPolarHBondContact O-CB 3.28Å; F63-S67 PolarHBondContact O-N 2.87Å |
| 64 | V | 82 | Confident | 79.3 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I60 T61 S67 S68 | I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CG2 3.31Å; I60-V64 PolarHBondContact O-N 2.96Å; T61-V64 PolarHBondContact O-N 3.34Å; V64-S67 PolarHBondContact O-N 2.82Å; V64-S68 WeakPolarHBondContact O-CB 3.49Å; V64-S68 PolarHBondContact O-N 3Å; V64-S68 PolarHBondContact O-OG 3.07Å; V64-S68 VanDerWaalsContact O-OG 3.07Å |
| 65 | V | 79.9 | Confident | 79.2 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 21% | 0.212 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | Y32 T61 S67 S68 S69 | Y32-V65 VanDerWaalsContact O-CG1 3.29Å; Y32-V65 WeakPolarHBondContact O-CG1 3.45Å; T61-V65 HydrophobicContact CG2-CG2 3.81Å; T61-V65 WeakPolarHBondContact O-CB 3.49Å; T61-V65 VanDerWaalsContact O-CG2 3.27Å; T61-V65 WeakPolarHBondContact O-CG2 3.42Å; T61-V65 PolarHBondContact O-N 2.86Å; V65-S67 VanDerWaalsContact C-N 3.34Å; V65-S68 PolarHBondContact O-N 3.31Å; V65-S69 VanDerWaalsContact O-CB 3.24Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 2.93Å; V65-S69 PolarHBondContact O-OG 3.04Å |
| 66 | S | 78.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 83.6 Ų | 83.6 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | Y62 Y70 | Y62-S66 WeakPolarHBondContact CE2-OG 3.36Å; Y62-S66 WeakPolarHBondContact O-CB 3.48Å; Y62-S66 PolarHBondContact O-N 3.49Å; Y62-S66 PolarHBondContact O-OG 2.91Å; S66-Y70 WeakPolarHBondContact O-CB 3.34Å; S66-Y70 PolarHBondContact O-N 3.32Å |
| 67 | S | 81.2 | Confident | 78.5 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 43% | 0.427 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 177 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | F63 V64 V65 S69 Y70 S71 | F63-S67 VanDerWaalsContact O-CB 3.28Å; F63-S67 WeakPolarHBondContact O-CB 3.28Å; F63-S67 PolarHBondContact O-N 2.87Å; V64-S67 PolarHBondContact O-N 2.82Å; V65-S67 VanDerWaalsContact C-N 3.34Å; S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 PolarHBondContact O-N 3.37Å; S67-Y70 WeakPolarHBondContact O-CB 3.37Å; S67-Y70 PolarHBondContact O-N 2.93Å; S67-S71 PolarHBondContact O-N 3.06Å; S67-S71 PolarHBondContact O-OG 2.88Å |
| 68 | S | 79.2 | Confident | 78.4 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | V64 V65 Y70 S71 Y72 | V64-S68 WeakPolarHBondContact O-CB 3.49Å; V64-S68 PolarHBondContact O-N 3Å; V64-S68 PolarHBondContact O-OG 3.07Å; V64-S68 VanDerWaalsContact O-OG 3.07Å; V65-S68 PolarHBondContact O-N 3.31Å; S68-Y70 VanDerWaalsContact C-N 3.35Å; S68-S71 PolarHBondContact O-N 2.88Å; S68-Y72 WeakPolarHBondContact O-CB 3.05Å; S68-Y72 PolarHBondContact O-N 2.68Å |
| 69 | S | 75.7 | Confident | 78.5 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 178 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | C29 Y32 V65 S67 Y72 C73 | C29-S69 PolarHBondContact SG-O 3.22Å; C29-S69 VanDerWaalsContact SG-O 3.34Å; Y32-S69 WeakPolarHBondContact CB-OG 2.94Å; V65-S69 VanDerWaalsContact O-CB 3.24Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 2.93Å; V65-S69 PolarHBondContact O-OG 3.04Å; S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 PolarHBondContact O-N 3.37Å; S69-Y72 PolarHBondContact O-N 2.8Å; S69-C73 WeakPolarHBondContact O-CB 3.19Å; S69-C73 PolarHBondContact O-N 3.39Å |
| 70 | Y | 75.3 | Confident | 78.3 | Confident | 151 Ų | 151 | 79.5 Ų | 79.5 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 174.2 | -179.2 | -97.7 | 0 | 0 | 0 | 111.4 | C29 S66 S67 S68 Y72 C73 Y74 | C29-Y70 VanDerWaalsContact SG-CA 3.57Å; S66-Y70 WeakPolarHBondContact O-CB 3.34Å; S66-Y70 PolarHBondContact O-N 3.32Å; S67-Y70 WeakPolarHBondContact O-CB 3.37Å; S67-Y70 PolarHBondContact O-N 2.93Å; S68-Y70 VanDerWaalsContact C-N 3.35Å; Y70-Y72 VanDerWaalsContact C-N 3.35Å; Y70-Y72 PolarHBondContact O-N 3.22Å; Y70-C73 PolarHBondContact O-N 3Å; Y70-Y74 WeakPolarHBondContact O-CB 3.41Å; Y70-Y74 PolarHBondContact O-N 3.35Å |
| 71 | S | 79.5 | Confident | 78.1 | Confident | 70 Ų | 70 | 80 Ų | 80 | 49% | 0.49 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | S67 S68 F75 | S67-S71 PolarHBondContact O-N 3.06Å; S67-S71 PolarHBondContact O-OG 2.88Å; S68-S71 PolarHBondContact O-N 2.88Å; S71-F75 WeakPolarHBondContact O-CB 3.35Å; S71-F75 PolarHBondContact O-N 2.9Å |
| 72 | Y | 74.7 | Confident | 78 | Confident | 139 Ų | 139 | 86.3 Ų | 86.3 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.4 | -174.7 | -91.5 | 0 | 0 | 0 | 111.6 | S68 S69 Y70 F75 E76 | S68-Y72 WeakPolarHBondContact O-CB 3.05Å; S68-Y72 PolarHBondContact O-N 2.68Å; S69-Y72 PolarHBondContact O-N 2.8Å; Y70-Y72 VanDerWaalsContact C-N 3.35Å; Y70-Y72 PolarHBondContact O-N 3.22Å; Y72-F75 WeakPolarHBondContact O-CB 3.24Å; Y72-F75 PolarHBondContact O-N 3.48Å; Y72-E76 HydrophobicContact CD1-CG 4.13Å; Y72-E76 HydrophobicContact CE1-CG 3.57Å; Y72-E76 PolarHBondContact O-N 3.43Å; Y72-E76 PolarHBondContact OH-OE1 2.89Å |
| 73 | C | 73.1 | Confident | 78 | Confident | 10 Ų | 10 | 85.7 Ų | 85.7 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.3 | -34.8 | -179 | -148.1 | 0 | 0 | 0 | 0 | 113 | C25 S69 Y70 F75 E76 K77 | C25-C73 WeakPolarHBondContact CA-SG 3.14Å; C25-C73 HydrophobicContact CB-CB 3.76Å; C25-C73 WeakPolarHBondContact CB-SG 3.47Å; C25-C73 WeakPolarHBondContact SG-CB 3.41Å; C25-C73 PolarHBondContact SG-O 2.67Å; C25-C73 CovalentContact SG-SG 2.03Å; C25-C73 PolarHBondContact SG-SG 3.23Å; S69-C73 WeakPolarHBondContact O-CB 3.19Å; S69-C73 PolarHBondContact O-N 3.39Å; Y70-C73 PolarHBondContact O-N 3Å; C73-F75 VanDerWaalsContact C-N 3.3Å; C73-E76 PolarHBondContact O-N 3.01Å; C73-K77 WeakPolarHBondContact O-CB 3.33Å; C73-K77 PolarHBondContact O-N 3.41Å |
| 74 | Y | 76.9 | Confident | 77.9 | Confident | 145 Ų | 145 | 81.8 Ų | 81.8 | 57% | 0.569 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 171.3 | -175.2 | -97.3 | 0 | 0 | 0 | 110.8 | Y70 K77 V78 | Y70-Y74 WeakPolarHBondContact O-CB 3.41Å; Y70-Y74 PolarHBondContact O-N 3.35Å; Y74-K77 PolarHBondContact O-N 2.81Å; Y74-V78 HydrophobicContact CD1-CG2 4.34Å; Y74-V78 HydrophobicContact CE1-CG2 3.98Å; Y74-V78 WeakPolarHBondContact O-CG2 3.42Å; Y74-V78 PolarHBondContact O-N 3.42Å |
| 75 | F | 78.7 | Confident | 77.9 | Confident | 141 Ų | 141 | 84.4 Ų | 84.4 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 175.8 | -173.6 | -94.9 | 0 | 0 | 0 | 112.4 | S71 Y72 C73 K77 V78 T79 | S71-F75 WeakPolarHBondContact O-CB 3.35Å; S71-F75 PolarHBondContact O-N 2.9Å; Y72-F75 WeakPolarHBondContact O-CB 3.24Å; Y72-F75 PolarHBondContact O-N 3.48Å; C73-F75 VanDerWaalsContact C-N 3.3Å; F75-K77 PolarHBondContact O-N 2.72Å; F75-V78 PolarHBondContact O-N 3.25Å; F75-T79 WeakPolarHBondContact O-CB 3.46Å; F75-T79 PolarHBondContact O-N 2.96Å; F75-T79 PolarHBondContact O-OG1 3.36Å |
| 76 | E | 72 | Confident | 77.9 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176 | -78.1 | -148.5 | 148.2 | 0 | 0 | 112.3 | R28 Y72 C73 T79 M80 | R28-E76 IonicContact NH1-OE2 3.88Å; Y72-E76 HydrophobicContact CD1-CG 4.13Å; Y72-E76 HydrophobicContact CE1-CG 3.57Å; Y72-E76 PolarHBondContact O-N 3.43Å; Y72-E76 PolarHBondContact OH-OE1 2.89Å; C73-E76 PolarHBondContact O-N 3.01Å; E76-T79 PolarHBondContact O-N 3.42Å; E76-M80 VanDerWaalsContact O-CB 3.28Å; E76-M80 WeakPolarHBondContact O-CB 3.46Å; E76-M80 PolarHBondContact O-N 3.48Å |
| 77 | K | 75.5 | Confident | 78.1 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 35% | 0.348 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 176.9 | -175.7 | 177 | 179.3 | 176.5 | 0 | 110.9 | E23 C73 Y74 F75 T79 M80 E81 | E23-K77 IonicContact OE1-NZ 2.86Å; E23-K77 PolarHBondContact OE1-NZ 2.9Å; C73-K77 WeakPolarHBondContact O-CB 3.33Å; C73-K77 PolarHBondContact O-N 3.41Å; Y74-K77 PolarHBondContact O-N 2.81Å; F75-K77 PolarHBondContact O-N 2.72Å; K77-T79 VanDerWaalsContact C-N 3.29Å; K77-T79 PolarHBondContact O-N 2.85Å; K77-M80 PolarHBondContact O-N 3.5Å; K77-E81 WeakPolarHBondContact CE-OE1 3.34Å; K77-E81 WeakPolarHBondContact O-CB 3.42Å; K77-E81 WeakPolarHBondContact O-CG 3.03Å; K77-E81 PolarHBondContact O-N 3.32Å |
| 78 | V | 80.1 | Confident | 78 | Confident | 36 Ų | 36 | 97.5 Ų | 97.5 | 22% | 0.218 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 178 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y74 F75 R82 | Y74-V78 HydrophobicContact CD1-CG2 4.34Å; Y74-V78 HydrophobicContact CE1-CG2 3.98Å; Y74-V78 WeakPolarHBondContact O-CG2 3.42Å; Y74-V78 PolarHBondContact O-N 3.42Å; F75-V78 PolarHBondContact O-N 3.25Å; V78-R82 PolarHBondContact O-N 3.33Å |
| 79 | T | 80.1 | Confident | 78.2 | Confident | 44 Ų | 44 | 100 Ų | 100 | 27% | 0.27 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | F75 E76 K77 R82 N83 | F75-T79 WeakPolarHBondContact O-CB 3.46Å; F75-T79 PolarHBondContact O-N 2.96Å; F75-T79 PolarHBondContact O-OG1 3.36Å; E76-T79 PolarHBondContact O-N 3.42Å; K77-T79 VanDerWaalsContact C-N 3.29Å; K77-T79 PolarHBondContact O-N 2.85Å; T79-R82 PolarHBondContact O-N 3.4Å; T79-N83 WeakPolarHBondContact O-CB 3.12Å; T79-N83 PolarHBondContact O-N 3.41Å; T79-N83 PolarHBondContact O-ND2 2.86Å; T79-N83 PolarHBondContact O-OD1 3.49Å |
| 80 | M | 76 | Confident | 78.6 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 61% | 0.611 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 175 | -95.9 | -84.5 | -161.6 | 0 | 0 | 111.8 | E76 K77 R82 N83 V84 | E76-M80 VanDerWaalsContact O-CB 3.28Å; E76-M80 WeakPolarHBondContact O-CB 3.46Å; E76-M80 PolarHBondContact O-N 3.48Å; K77-M80 PolarHBondContact O-N 3.5Å; M80-R82 VanDerWaalsContact C-N 3.31Å; M80-R82 PolarHBondContact O-N 2.89Å; M80-N83 PolarHBondContact O-N 3.06Å; M80-V84 WeakPolarHBondContact O-CB 3.43Å; M80-V84 WeakPolarHBondContact O-CG2 3.26Å; M80-V84 PolarHBondContact O-N 3.1Å |
| 81 | E | 80 | Confident | 78.9 | Confident | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.1 | -77.8 | 175.7 | 173.2 | 0 | 0 | 111.1 | K77 V84 E85 | K77-E81 WeakPolarHBondContact CE-OE1 3.34Å; K77-E81 WeakPolarHBondContact O-CB 3.42Å; K77-E81 WeakPolarHBondContact O-CG 3.03Å; K77-E81 PolarHBondContact O-N 3.32Å; E81-V84 PolarHBondContact O-N 3.21Å; E81-E85 WeakPolarHBondContact O-CB 3.26Å; E81-E85 PolarHBondContact O-N 2.95Å; E81-E85 VanDerWaalsContact O-N 3.08Å |
| 82 | R | 78.6 | Confident | 79 | Confident | 157 Ų | 157 | 103.9 Ų | 103.9 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 173.8 | -72.3 | -172.8 | -177.3 | 129.8 | 1.4 | 113 | V78 T79 M80 V84 E85 E86 | V78-R82 PolarHBondContact O-N 3.33Å; T79-R82 PolarHBondContact O-N 3.4Å; M80-R82 VanDerWaalsContact C-N 3.31Å; M80-R82 PolarHBondContact O-N 2.89Å; R82-V84 VanDerWaalsContact C-N 3.27Å; R82-V84 PolarHBondContact O-N 3.45Å; R82-E85 WeakPolarHBondContact O-CB 3.27Å; R82-E85 PolarHBondContact O-N 2.86Å; R82-E85 VanDerWaalsContact O-N 3.15Å; R82-E86 PolarHBondContact O-N 2.97Å |
| 83 | N | 79.5 | Confident | 79.5 | Confident | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | -179.1 | -68.2 | -9.1 | 0 | 0 | 0 | 112 | T79 M80 L87 | T79-N83 WeakPolarHBondContact O-CB 3.12Å; T79-N83 PolarHBondContact O-N 3.41Å; T79-N83 PolarHBondContact O-ND2 2.86Å; T79-N83 PolarHBondContact O-OD1 3.49Å; M80-N83 PolarHBondContact O-N 3.06Å; N83-L87 WeakPolarHBondContact O-CB 3.29Å; N83-L87 PolarHBondContact O-N 3.36Å |
| 84 | V | 79.5 | Confident | 79.9 | Confident | 71 Ų | 71 | 106.1 Ų | 106.1 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | M80 E81 R82 R88 | M80-V84 WeakPolarHBondContact O-CB 3.43Å; M80-V84 WeakPolarHBondContact O-CG2 3.26Å; M80-V84 PolarHBondContact O-N 3.1Å; E81-V84 PolarHBondContact O-N 3.21Å; R82-V84 VanDerWaalsContact C-N 3.27Å; R82-V84 PolarHBondContact O-N 3.45Å; V84-R88 WeakPolarHBondContact O-CB 3.39Å; V84-R88 WeakPolarHBondContact O-CG 3.32Å; V84-R88 PolarHBondContact O-N 3.41Å |
| 85 | E | 82.9 | Confident | 80 | Confident | 131 Ų | 131 | 103.7 Ų | 103.7 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -49.6 | 174.6 | -164.7 | 162.7 | -153.3 | 0 | 0 | 110.7 | E81 R82 L87 R88 E89 | E81-E85 WeakPolarHBondContact O-CB 3.26Å; E81-E85 PolarHBondContact O-N 2.95Å; E81-E85 VanDerWaalsContact O-N 3.08Å; R82-E85 WeakPolarHBondContact O-CB 3.27Å; R82-E85 PolarHBondContact O-N 2.86Å; R82-E85 VanDerWaalsContact O-N 3.15Å; E85-L87 PolarHBondContact O-N 3.14Å; E85-R88 WeakPolarHBondContact O-CB 3.47Å; E85-R88 PolarHBondContact O-N 3.38Å; E85-E89 WeakPolarHBondContact O-CG 3.34Å; E85-E89 PolarHBondContact O-N 2.96Å |
| 86 | E | 80.1 | Confident | 80.1 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.7 | -70.1 | 179.9 | -175.6 | 0 | 0 | 111.9 | R82 R88 E89 I90 | R82-E86 PolarHBondContact O-N 2.97Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 3.48Å; E86-E89 PolarHBondContact O-N 3.45Å; E86-I90 VanDerWaalsContact O-CG1 3.31Å; E86-I90 WeakPolarHBondContact O-CG1 3.37Å; E86-I90 PolarHBondContact O-N 3.29Å |
| 87 | L | 80.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 179.8 | -161.6 | 73.7 | 0 | 0 | 0 | 112 | N83 E85 I90 I91 | N83-L87 WeakPolarHBondContact O-CB 3.29Å; N83-L87 PolarHBondContact O-N 3.36Å; E85-L87 PolarHBondContact O-N 3.14Å; L87-I90 PolarHBondContact O-N 2.82Å; L87-I91 HydrophobicContact CD2-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 4.01Å; L87-I91 WeakPolarHBondContact O-CB 3.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.13Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.45Å |
| 88 | R | 79.8 | Confident | 80.3 | Confident | 180 Ų | 180 | 108.5 Ų | 108.5 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 173.6 | -91.6 | -170.1 | -170.8 | -177.3 | 5.1 | 111.6 | V84 E85 E86 I91 H92 | V84-R88 WeakPolarHBondContact O-CB 3.39Å; V84-R88 WeakPolarHBondContact O-CG 3.32Å; V84-R88 PolarHBondContact O-N 3.41Å; E85-R88 WeakPolarHBondContact O-CB 3.47Å; E85-R88 PolarHBondContact O-N 3.38Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 3.48Å; R88-I91 PolarHBondContact O-N 2.88Å; R88-H92 WeakPolarHBondContact O-CB 3.41Å; R88-H92 PolarHBondContact O-N 3.48Å |
| 89 | E | 83.8 | Confident | 80 | Confident | 122 Ų | 122 | 112.9 Ų | 112.9 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 177 | -70.6 | -176.1 | 170 | 0 | 0 | 110.9 | E85 E86 I91 H92 Q93 | E85-E89 WeakPolarHBondContact O-CG 3.34Å; E85-E89 PolarHBondContact O-N 2.96Å; E86-E89 PolarHBondContact O-N 3.45Å; E89-I91 PolarHBondContact O-N 3.33Å; E89-H92 PolarHBondContact O-N 2.92Å; E89-Q93 WeakPolarHBondContact O-CG 3.44Å; E89-Q93 PolarHBondContact O-N 2.75Å |
| 90 | I | 83.1 | Confident | 79.7 | Confident | 91 Ų | 91 | 116.7 Ų | 116.7 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -45.9 | 177.1 | -63.9 | 165 | 0 | 0 | 0 | 111 | E86 L87 H92 Q93 V94 | E86-I90 VanDerWaalsContact O-CG1 3.31Å; E86-I90 WeakPolarHBondContact O-CG1 3.37Å; E86-I90 PolarHBondContact O-N 3.29Å; L87-I90 PolarHBondContact O-N 2.82Å; I90-H92 VanDerWaalsContact C-N 3.3Å; I90-H92 PolarHBondContact O-N 2.68Å; I90-Q93 PolarHBondContact O-N 2.81Å; I90-V94 HydrophobicContact CG2-CG2 4.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.36Å; I90-V94 PolarHBondContact O-N 3.5Å |
| 91 | I | 82.9 | Confident | 79.5 | Confident | 99 Ų | 99 | 116.3 Ų | 116.3 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -39.3 | 178 | -71 | 165.6 | 0 | 0 | 0 | 110.9 | L87 R88 E89 H95 | L87-I91 HydrophobicContact CD2-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 4.01Å; L87-I91 WeakPolarHBondContact O-CB 3.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.13Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.45Å; R88-I91 PolarHBondContact O-N 2.88Å; E89-I91 PolarHBondContact O-N 3.33Å; I91-H95 WeakPolarHBondContact O-CB 3.23Å; I91-H95 PolarHBondContact O-N 2.94Å |
| 92 | H | 81.5 | Confident | 79.2 | Confident | 129 Ų | 129 | 118.2 Ų | 118.2 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | 176.4 | -109.4 | -81.2 | 0 | 0 | 0 | 112.2 | R88 E89 I90 Q96 | R88-H92 WeakPolarHBondContact O-CB 3.41Å; R88-H92 PolarHBondContact O-N 3.48Å; E89-H92 PolarHBondContact O-N 2.92Å; I90-H92 VanDerWaalsContact C-N 3.3Å; I90-H92 PolarHBondContact O-N 2.68Å; H92-Q96 WeakPolarHBondContact O-CG 3.36Å; H92-Q96 PolarHBondContact O-N 3.36Å; H92-Q96 VanDerWaalsContact O-N 3.07Å |
| 93 | Q | 84.6 | Confident | 78.9 | Confident | 125 Ų | 125 | 117.7 Ų | 117.7 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.3 | -50 | 175.6 | -73.2 | -176.2 | -4.9 | 0 | 0 | 111.5 | E89 I90 H95 Q96 E97 | E89-Q93 WeakPolarHBondContact O-CG 3.44Å; E89-Q93 PolarHBondContact O-N 2.75Å; I90-Q93 PolarHBondContact O-N 2.81Å; Q93-H95 VanDerWaalsContact C-N 3.3Å; Q93-H95 PolarHBondContact O-N 3.38Å; Q93-Q96 WeakPolarHBondContact O-CB 3.49Å; Q93-Q96 PolarHBondContact O-N 3.48Å; Q93-E97 PolarHBondContact O-N 2.93Å |
| 94 | V | 81.1 | Confident | 78.4 | Confident | 71 Ų | 71 | 120.3 Ų | 120.3 | 43% | 0.43 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.9 | -39.3 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | I90 Q96 E97 Q98 | I90-V94 HydrophobicContact CG2-CG2 4.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.36Å; I90-V94 PolarHBondContact O-N 3.5Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.82Å; V94-E97 PolarHBondContact O-N 3.12Å; V94-Q98 WeakPolarHBondContact O-CB 3.27Å; V94-Q98 WeakPolarHBondContact O-CG 3.22Å; V94-Q98 PolarHBondContact O-N 3.16Å |
| 95 | H | 80.2 | Confident | 77.6 | Confident | 94 Ų | 94 | 124.7 Ų | 124.7 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.7 | -29.6 | 176.7 | -169.5 | 70.3 | 0 | 0 | 0 | 112.8 | I91 Q93 K99 | I91-H95 WeakPolarHBondContact O-CB 3.23Å; I91-H95 PolarHBondContact O-N 2.94Å; Q93-H95 VanDerWaalsContact C-N 3.3Å; Q93-H95 PolarHBondContact O-N 3.38Å; H95-K99 WeakPolarHBondContact NE2-CE 3.4Å; H95-K99 PolarHBondContact NE2-NZ 2.97Å; H95-K99 WeakPolarHBondContact O-CG 3.34Å; H95-K99 PolarHBondContact O-N 3.33Å |
| 96 | Q | 79 | Confident | 77.3 | Confident | 134 Ų | 134 | 124.4 Ų | 124.4 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.4 | -42.6 | 172.5 | -79.5 | -171.5 | -16.9 | 0 | 0 | 112 | H92 Q93 V94 K99 L100 | H92-Q96 WeakPolarHBondContact O-CG 3.36Å; H92-Q96 PolarHBondContact O-N 3.36Å; H92-Q96 VanDerWaalsContact O-N 3.07Å; Q93-Q96 WeakPolarHBondContact O-CB 3.49Å; Q93-Q96 PolarHBondContact O-N 3.48Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.82Å; Q96-K99 PolarHBondContact O-N 3.39Å; Q96-L100 PolarHBondContact O-N 2.66Å; Q96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | E | 76.2 | Confident | 77.2 | Confident | 127 Ų | 127 | 124.8 Ų | 124.8 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.9 | -45.6 | 175.5 | -72.5 | -169.5 | 114.5 | 0 | 0 | 111.4 | Q93 V94 K99 L100 D101 | Q93-E97 PolarHBondContact O-N 2.93Å; V94-E97 PolarHBondContact O-N 3.12Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 3.47Å; E97-L100 WeakPolarHBondContact O-CA 3.43Å; E97-L100 WeakPolarHBondContact O-CB 3.37Å; E97-L100 PolarHBondContact O-N 3.08Å; E97-D101 PolarHBondContact O-N 3.32Å |
| 98 | Q | 77.4 | Confident | 77 | Confident | 128 Ų | 128 | 126.2 Ų | 126.2 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60 | -34.4 | 175.8 | -79 | -161.9 | -33.1 | 0 | 0 | 113.4 | V94 L100 Q102 | V94-Q98 WeakPolarHBondContact O-CB 3.27Å; V94-Q98 WeakPolarHBondContact O-CG 3.22Å; V94-Q98 PolarHBondContact O-N 3.16Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-Q102 WeakPolarHBondContact O-CB 3.03Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.17Å |
| 99 | K | 72.9 | Confident | 76.8 | Confident | 129 Ų | 129 | 123 Ų | 123 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.7 | -28.7 | 174.4 | -81.8 | -176.2 | 177.8 | 171.6 | 0 | 112.8 | H95 Q96 E97 | H95-K99 WeakPolarHBondContact NE2-CE 3.4Å; H95-K99 PolarHBondContact NE2-NZ 2.97Å; H95-K99 WeakPolarHBondContact O-CG 3.34Å; H95-K99 PolarHBondContact O-N 3.33Å; Q96-K99 PolarHBondContact O-N 3.39Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 3.47Å |
| 100 | L | 73.1 | Confident | 76.4 | Confident | 124 Ų | 124 | 123.1 Ų | 123.1 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73 | -48.9 | 176.3 | -149.6 | 94 | 0 | 0 | 0 | 110.3 | Q96 E97 Q98 Q102 N103 D104 | Q96-L100 PolarHBondContact O-N 2.66Å; Q96-L100 VanDerWaalsContact O-N 3.08Å; E97-L100 WeakPolarHBondContact O-CA 3.43Å; E97-L100 WeakPolarHBondContact O-CB 3.37Å; E97-L100 PolarHBondContact O-N 3.08Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 2.91Å; L100-N103 PolarHBondContact O-N 2.85Å; L100-D104 PolarHBondContact O-N 3.44Å |
| 101 | D | 72.7 | Confident | 75.9 | Confident | 115 Ų | 115 | 125.2 Ų | 125.2 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.6 | -36.9 | 177.3 | -86.8 | -54.9 | 0 | 0 | 0 | 112.7 | E97 N103 D104 | E97-D101 PolarHBondContact O-N 3.32Å; D101-N103 PolarHBondContact O-N 2.98Å; D101-D104 PolarHBondContact O-N 2.94Å |
| 102 | Q | 73.3 | Confident | 75.5 | Confident | 156 Ų | 156 | 127.1 Ų | 127.1 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18.7 | 177.9 | -165.7 | 175.3 | -0.7 | 0 | 0 | 113.3 | Q98 L100 | Q98-Q102 WeakPolarHBondContact O-CB 3.03Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.17Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 2.91Å |
| 103 | N | 72.1 | Confident | 75 | Confident | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -17.5 | 178.3 | -124.6 | 11.5 | 0 | 0 | 0 | 112.8 | L100 D101 | L100-N103 PolarHBondContact O-N 2.85Å; D101-N103 PolarHBondContact O-N 2.98Å |
| 104 | D | 69.2 | Low | 74.2 | Confident | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -92.2 | -3.4 | 176.3 | -90.8 | -24.9 | 0 | 0 | 0 | 113.7 | L100 D101 | L100-D104 PolarHBondContact O-N 3.44Å; D101-D104 PolarHBondContact O-N 2.94Å | ||
| 105 | S | 63 | Low | 73.6 | Confident | 163 Ų | 163 | 132.2 Ų | 132.2 | 100% | 1.14 | 68% | 0.679 | S | S | * | * | trans | -104.3 | 0 | 168.9 | -74.5 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 105 of 105 residues in 17.7 ms
(Link to these results)