| 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 | 37.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 65.3 Ų | 65.3 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | 0 | 111.9 | 0 | -164.3 | 161.7 | -174.2 | 0 | 0 | 106.4 | K3 E23 N24 S27 R80 E219 | M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.22Å; M1-E23 HydrophobicContact CE-CG 4.49Å; M1-N24 WeakPolarHBondContact CE-OD1 3.3Å; M1-S27 WeakPolarHBondContact CE-OG 3.49Å; M1-R80 PolarHBondContact SD-NH2 3.41Å; M1-E219 PolarHBondContact N-OE1 3.1Å | |||
| 2 | V | 34.9 | Very low | 36.7 | Very low | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 41% | 0.413 | C | S | . | . | trans | -64.4 | 88.7 | -177.3 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | F4 F212 N215 Y287 | V2-F4 PolarHBondContact O-N 3.29Å; V2-F212 HydrophobicContact CB-CD1 4.31Å; V2-F212 HydrophobicContact CB-CE1 3.93Å; V2-F212 HydrophobicContact CG1-CD1 4.01Å; V2-F212 HydrophobicContact CG1-CE1 3.71Å; V2-F212 HydrophobicContact CG1-CE2 4.49Å; V2-F212 HydrophobicContact CG1-CZ 3.96Å; V2-F212 HydrophobicContact CG2-CD1 3.74Å; V2-F212 HydrophobicContact CG2-CE1 3.78Å; V2-N215 HydrophobicContact CG2-CB 3.91Å; V2-N215 VanDerWaalsContact CG2-ND2 3.26Å; V2-N215 WeakPolarHBondContact CG2-ND2 3.45Å; V2-Y287 HydrophobicContact CG2-CE1 3.75Å | ||
| 3 | K | 46.9 | Very low | 36.9 | Very low | 131 Ų | 131 | 70.1 Ų | 70.1 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | trans | -58 | 106.8 | 172.3 | -78.3 | -176.6 | 176.4 | -177.2 | 0 | 105.8 | M1 S5 A6 | M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.22Å; K3-S5 PolarHBondContact O-N 3.28Å; K3-A6 HydrophobicContact CB-CB 4.15Å; K3-A6 VanDerWaalsContact O-CB 3.32Å; K3-A6 WeakPolarHBondContact O-CB 3.48Å; K3-A6 PolarHBondContact O-N 3.39Å | ||
| 4 | F | 36.3 | Very low | 36.8 | Very low | 78 Ų | 78 | 75.1 Ų | 75.1 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -55.4 | -25.8 | 169.7 | -97 | -88.4 | 0 | 0 | 0 | 110.9 | V2 A6 V7 E23 F212 V294 | V2-F4 PolarHBondContact O-N 3.29Å; F4-A6 VanDerWaalsContact C-N 3.26Å; F4-A6 PolarHBondContact O-N 3.16Å; F4-V7 WeakPolarHBondContact O-CB 3.45Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.1Å; F4-E23 HydrophobicContact CD2-CG 4.27Å; F4-E23 PolarHBondContact N-OE2 2.7Å; F4-F212 HydrophobicContact CE1-CE2 4.44Å; F4-F212 HydrophobicContact CE2-CE2 4.46Å; F4-F212 AromaticContact CE2-CZ 3.75Å; F4-F212 HydrophobicContact CE2-CZ 3.75Å; F4-F212 AromaticContact CZ-CE2 3.92Å; F4-F212 HydrophobicContact CZ-CE2 3.92Å; F4-F212 AromaticContact CZ-CZ 3.63Å; F4-F212 HydrophobicContact CZ-CZ 3.63Å; F4-V294 HydrophobicContact CZ-CG2 4.11Å |
| 5 | S | 36.2 | Very low | 36.8 | Very low | 64 Ų | 64 | 82.1 Ų | 82.1 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -59 | -28.9 | 170.3 | -163.5 | 0 | 0 | 0 | 0 | 114.2 | K3 V7 G8 | K3-S5 PolarHBondContact O-N 3.28Å; S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å; S5-G8 PolarHBondContact O-N 3.36Å |
| 6 | A | 37.8 | Very low | 36.9 | Very low | 47 Ų | 47 | 84.9 Ų | 84.9 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -75.9 | -11.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | K3 F4 G8 | K3-A6 HydrophobicContact CB-CB 4.15Å; K3-A6 VanDerWaalsContact O-CB 3.32Å; K3-A6 WeakPolarHBondContact O-CB 3.48Å; K3-A6 PolarHBondContact O-N 3.39Å; F4-A6 VanDerWaalsContact C-N 3.26Å; F4-A6 PolarHBondContact O-N 3.16Å; A6-G8 PolarHBondContact O-N 3.08Å |
| 7 | V | 39.3 | Very low | 37.2 | Very low | 6 Ų | 6 | 85.2 Ų | 85.2 | 4% | 0.036 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -78.9 | 4.5 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | F4 S5 I9 E207 V208 A211 | F4-V7 WeakPolarHBondContact O-CB 3.45Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.1Å; S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å; V7-I9 HydrophobicContact CB-CD1 4.34Å; V7-I9 HydrophobicContact CG1-CD1 3.72Å; V7-I9 HydrophobicContact CG1-CG1 4.25Å; V7-I9 PolarHBondContact O-N 3.21Å; V7-E207 HydrophobicContact CG1-CG 4.18Å; V7-V208 HydrophobicContact CG1-CG2 4.01Å; V7-A211 HydrophobicContact CG2-CB 4.28Å |
| 8 | G | 33.2 | Very low | 38.1 | Very low | 61 Ų | 61 | 85.4 Ų | 85.4 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 14.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S5 A6 P10 | S5-G8 PolarHBondContact O-N 3.36Å; A6-G8 PolarHBondContact O-N 3.08Å; G8-P10 WeakPolarHBondContact O-CD 3.49Å |
| 9 | I | 37.5 | Very low | 39.5 | Very low | 80 Ų | 80 | 84.5 Ų | 84.5 | 41% | 0.41 | 49% | 0.487 | S | S | . | . | trans | -90.2 | 108.8 | 177.1 | -59.7 | 157.8 | 0 | 0 | 0 | 107.6 | V7 F204 | V7-I9 HydrophobicContact CB-CD1 4.34Å; V7-I9 HydrophobicContact CG1-CD1 3.72Å; V7-I9 HydrophobicContact CG1-CG1 4.25Å; V7-I9 PolarHBondContact O-N 3.21Å; I9-F204 HydrophobicContact CD1-CD2 4.37Å; I9-F204 HydrophobicContact CD1-CE2 3.4Å; I9-F204 VanDerWaalsContact CD1-CE2 3.4Å; I9-F204 HydrophobicContact CD1-CZ 3.86Å; I9-F204 HydrophobicContact CG1-CE2 4.16Å | ||
| 10 | P | 34.6 | Very low | 40.7 | Very low | 111 Ų | 111 | 84.1 Ų | 84.1 | 72% | 0.721 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 126.2 | 168.4 | 27 | -31.8 | 0 | 0 | 0 | 107.8 | G8 | G8-P10 WeakPolarHBondContact O-CD 3.49Š|
| 11 | P | 35 | Very low | 42.1 | Very low | 48 Ų | 48 | 84 Ų | 84 | 31% | 0.312 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.3 | 172.8 | 27.9 | -33 | 0 | 0 | 0 | 108.9 | S13 M16 | P11-S13 PolarHBondContact O-N 3.16Å; P11-M16 HydrophobicContact CG-CB 4.27Å; P11-M16 HydrophobicContact CG-CG 3.5Å; P11-M16 HydrophobicContact CG-SD 3.61Å |
| 12 | P | 32 | Very low | 44 | Very low | 97 Ų | 97 | 84 Ų | 84 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 131.4 | 173.2 | 22.8 | -32 | 0 | 0 | 0 | 108.6 | N14 Y15 | P12-N14 PolarHBondContact O-N 2.89Å; P12-Y15 PolarHBondContact O-N 3.1Å; P12-Y15 VanDerWaalsContact O-N 3.12Å |
| 13 | S | 38.7 | Very low | 45.8 | Very low | 96 Ų | 96 | 84.3 Ų | 84.3 | 67% | 0.671 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -4.7 | -164.1 | 46.9 | 0 | 0 | 0 | 0 | 116.5 | P11 | P11-S13 PolarHBondContact O-N 3.16Š|
| 14 | N | 35.8 | Very low | 47.3 | Very low | 141 Ų | 141 | 78.9 Ų | 78.9 | 75% | 0.754 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 3.2 | -175.4 | -64.9 | -23.1 | 0 | 0 | 0 | 114.8 | P12 | P12-N14 PolarHBondContact O-N 2.89Š|
| 15 | Y | 37.2 | Very low | 49.6 | Very low | 180 Ų | 180 | 80.3 Ų | 80.3 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -132.2 | 34.8 | 178.7 | -70.9 | -77.8 | 0 | 0 | 0 | 114 | P12 S17 | P12-Y15 PolarHBondContact O-N 3.1Å; P12-Y15 VanDerWaalsContact O-N 3.12Å; Y15-S17 PolarHBondContact O-N 3.3Å |
| 16 | M | 37.4 | Very low | 51.9 | Low | 126 Ų | 126 | 81 Ų | 81 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.3 | -156.5 | -162.2 | 147.7 | 75.6 | 0 | 0 | 116.8 | P11 | P11-M16 HydrophobicContact CG-CB 4.27Å; P11-M16 HydrophobicContact CG-CG 3.5Å; P11-M16 HydrophobicContact CG-SD 3.61Å |
| 17 | S | 42.4 | Very low | 54.2 | Low | 90 Ų | 90 | 78.8 Ų | 78.8 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -18.3 | -179.4 | 44.8 | 0 | 0 | 0 | 0 | 115.3 | Y15 | Y15-S17 PolarHBondContact O-N 3.3Š|
| 18 | N | 53.5 | Low | 56.4 | Low | 90 Ų | 90 | 78.7 Ų | 78.7 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -96.9 | -22.1 | -166.3 | -66.2 | -25.8 | 0 | 0 | 0 | 118.5 | L20 L21 V22 | N18-L20 VanDerWaalsContact C-N 3.35Å; N18-L20 PolarHBondContact O-N 3.03Å; N18-L21 PolarHBondContact O-N 3.02Å; N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3.48Å |
| 19 | P | 64.6 | Low | 59.1 | Low | 68 Ų | 68 | 76.1 Ų | 76.1 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | -169.1 | 25.3 | -32.5 | 0 | 0 | 0 | 112.5 | V22 E23 | P19-V22 PolarHBondContact O-N 3.1Å; P19-E23 WeakPolarHBondContact O-CB 3.4Å; P19-E23 PolarHBondContact O-N 3.12Å |
| 20 | L | 63.5 | Low | 61.7 | Low | 76 Ų | 76 | 73.6 Ų | 73.6 | 40% | 0.398 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.2 | -71.5 | 167.1 | 0 | 0 | 0 | 111.4 | N18 E23 N24 | N18-L20 VanDerWaalsContact C-N 3.35Å; N18-L20 PolarHBondContact O-N 3.03Å; L20-E23 PolarHBondContact O-N 2.92Å; L20-N24 VanDerWaalsContact O-CB 3.23Å; L20-N24 WeakPolarHBondContact O-CB 3.37Å; L20-N24 PolarHBondContact O-N 3.37Å; L20-N24 PolarHBondContact O-ND2 3.29Å |
| 21 | L | 71 | Confident | 64.3 | Low | 83 Ų | 83 | 69.3 Ų | 69.3 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 178.8 | -70 | 175.2 | 0 | 0 | 0 | 111.5 | N18 N24 F25 I77 | N18-L21 PolarHBondContact O-N 3.02Å; L21-N24 PolarHBondContact O-N 3.01Å; L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.4Å; L21-F25 PolarHBondContact O-N 3.38Å; L21-I77 HydrophobicContact CD2-CG1 4.43Å; L21-I77 HydrophobicContact CD2-CG2 4.48Å |
| 22 | V | 76.4 | Confident | 66.9 | Low | 81 Ų | 81 | 67.2 Ų | 67.2 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | N18 P19 N24 F25 L26 | N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3.48Å; P19-V22 PolarHBondContact O-N 3.1Å; V22-N24 VanDerWaalsContact C-N 3.31Å; V22-N24 PolarHBondContact O-N 3.05Å; V22-F25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.15Å |
| 23 | E | 72.8 | Confident | 69.7 | Low | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.4 | -168.7 | -162.4 | 136 | 0 | 0 | 111.6 | M1 F4 P19 L20 S27 | M1-E23 HydrophobicContact CE-CG 4.49Å; F4-E23 HydrophobicContact CD2-CG 4.27Å; F4-E23 PolarHBondContact N-OE2 2.7Å; P19-E23 WeakPolarHBondContact O-CB 3.4Å; P19-E23 PolarHBondContact O-N 3.12Å; L20-E23 PolarHBondContact O-N 2.92Å; E23-S27 VanDerWaalsContact O-CB 3.31Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 3.01Å; E23-S27 PolarHBondContact O-OG 3.04Å |
| 24 | N | 77.3 | Confident | 72.2 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178.2 | -72.1 | -23.3 | 0 | 0 | 0 | 112.4 | M1 L20 L21 V22 S27 L28 R80 | M1-N24 WeakPolarHBondContact CE-OD1 3.3Å; L20-N24 VanDerWaalsContact O-CB 3.23Å; L20-N24 WeakPolarHBondContact O-CB 3.37Å; L20-N24 PolarHBondContact O-N 3.37Å; L20-N24 PolarHBondContact O-ND2 3.29Å; L21-N24 PolarHBondContact O-N 3.01Å; V22-N24 VanDerWaalsContact C-N 3.31Å; V22-N24 PolarHBondContact O-N 3.05Å; N24-S27 PolarHBondContact O-OG 3.46Å; N24-L28 WeakPolarHBondContact O-CB 3.36Å; N24-L28 PolarHBondContact O-N 3.37Å; N24-R80 VanDerWaalsContact CB-NH1 3.27Å; N24-R80 VanDerWaalsContact CG-CD 3.47Å; N24-R80 WeakPolarHBondContact ND2-CD 3.36Å; N24-R80 PolarHBondContact ND2-NE 3.12Å; N24-R80 PolarHBondContact OD1-NE 2.94Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å; N24-R80 PolarHBondContact OD1-NH2 2.91Å |
| 25 | F | 84.4 | Confident | 74.7 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 179.9 | -173.6 | -94.8 | 0 | 0 | 0 | 111.6 | L21 V22 W70 V73 | L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.4Å; L21-F25 PolarHBondContact O-N 3.38Å; V22-F25 PolarHBondContact O-N 3.41Å; F25-W70 HydrophobicContact CD1-CZ2 4.33Å; F25-W70 AromaticContact CD1-NE1 3.79Å; F25-W70 AromaticContact CD2-CD1 3.69Å; F25-W70 AromaticContact CD2-NE1 3.43Å; F25-W70 AromaticContact CE1-CE2 3.88Å; F25-W70 AromaticContact CE1-CZ2 3.84Å; F25-W70 HydrophobicContact CE1-CZ2 3.84Å; F25-W70 AromaticContact CE1-NE1 3.65Å; F25-W70 AromaticContact CE2-CD1 3.41Å; F25-W70 VanDerWaalsContact CE2-CD1 3.41Å; F25-W70 HydrophobicContact CE2-CG 4.3Å; F25-W70 AromaticContact CE2-NE1 3.28Å; F25-W70 VanDerWaalsContact CE2-NE1 3.28Å; F25-W70 AromaticContact CG-NE1 3.68Å; F25-W70 AromaticContact CZ-CD1 3.89Å; F25-W70 HydrophobicContact CZ-CD2 4.44Å; F25-W70 AromaticContact CZ-CE2 3.73Å; F25-W70 HydrophobicContact CZ-CZ2 4.1Å; F25-W70 AromaticContact CZ-NE1 3.39Å; F25-W70 PolarHBondContact O-NE1 3.47Å; F25-V73 HydrophobicContact CD2-CG2 4.28Å |
| 26 | L | 85.4 | Confident | 77.3 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 179.6 | -71.5 | 173.1 | 0 | 0 | 0 | 113 | V22 F30 L293 | V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.15Å; L26-F30 WeakPolarHBondContact O-CE2 3.34Å; L26-L293 HydrophobicContact CD1-CD2 4.29Å |
| 27 | S | 85.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.9 | -19.2 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | M1 E23 N24 F30 V31 | M1-S27 WeakPolarHBondContact CE-OG 3.49Å; E23-S27 VanDerWaalsContact O-CB 3.31Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 3.01Å; E23-S27 PolarHBondContact O-OG 3.04Å; N24-S27 PolarHBondContact O-OG 3.46Å; S27-F30 PolarHBondContact O-N 3.26Å; S27-V31 WeakPolarHBondContact O-CG2 3.34Å; S27-V31 PolarHBondContact O-N 3.07Å; S27-V31 VanDerWaalsContact O-N 3.1Å |
| 28 | L | 86.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | -171 | -169.8 | 64.5 | 0 | 0 | 0 | 114.2 | N24 F30 V31 V32 W70 V73 L131 | N24-L28 WeakPolarHBondContact O-CB 3.36Å; N24-L28 PolarHBondContact O-N 3.37Å; L28-F30 VanDerWaalsContact C-N 3.27Å; L28-F30 PolarHBondContact O-N 3.47Å; L28-V31 PolarHBondContact O-N 2.95Å; L28-V31 VanDerWaalsContact O-N 3.11Å; L28-V32 HydrophobicContact CD1-CG2 4.21Å; L28-V32 HydrophobicContact CG-CG2 4.18Å; L28-V32 WeakPolarHBondContact O-CG2 3.5Å; L28-V32 PolarHBondContact O-N 3.15Å; L28-W70 HydrophobicContact CD2-CB 4.22Å; L28-W70 HydrophobicContact CD2-CG 4.15Å; L28-V73 HydrophobicContact CD2-CB 3.46Å; L28-V73 VanDerWaalsContact CD2-CB 3.46Å; L28-V73 HydrophobicContact CD2-CG2 3.74Å; L28-L131 HydrophobicContact CD1-CD2 3.83Å |
| 29 | P | 90.1 | Very high | 84 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.7 | -43.5 | 177.5 | -30.1 | 38.4 | 0 | 0 | 0 | 113.5 | V32 L33 L69 W70 | P29-V32 PolarHBondContact O-N 2.88Å; P29-L33 WeakPolarHBondContact O-CB 3.28Å; P29-L33 VanDerWaalsContact O-CG 3.24Å; P29-L33 WeakPolarHBondContact O-CG 3.47Å; P29-L33 PolarHBondContact O-N 3.29Å; P29-L69 WeakPolarHBondContact CA-O 3.24Å; P29-L69 HydrophobicContact CB-CB 3.97Å; P29-L69 HydrophobicContact CB-CD1 4.43Å; P29-L69 HydrophobicContact CG-CB 4.26Å; P29-W70 HydrophobicContact CG-CD2 3.9Å; P29-W70 HydrophobicContact CG-CE3 3.92Å; P29-W70 HydrophobicContact CG-CH2 3.37Å; P29-W70 HydrophobicContact CG-CZ2 3.33Å; P29-W70 HydrophobicContact CG-CZ3 3.66Å |
| 30 | F | 91.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 27.7 Ų | 27.7 | 11% | 0.114 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.7 | -36 | -178.8 | -51.6 | -69.7 | 0 | 0 | 0 | 111.7 | L26 S27 L28 R34 L285 Q286 I289 | L26-F30 WeakPolarHBondContact O-CE2 3.34Å; S27-F30 PolarHBondContact O-N 3.26Å; L28-F30 VanDerWaalsContact C-N 3.27Å; L28-F30 PolarHBondContact O-N 3.47Å; F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.97Å; F30-L285 HydrophobicContact CD1-CB 4.27Å; F30-L285 HydrophobicContact CD1-CD2 4.01Å; F30-L285 HydrophobicContact CD1-CG 4.01Å; F30-L285 HydrophobicContact CE1-CB 4.4Å; F30-L285 HydrophobicContact CE1-CD2 3.66Å; F30-L285 HydrophobicContact CE1-CG 3.66Å; F30-Q286 HydrophobicContact CB-CB 3.69Å; F30-Q286 HydrophobicContact CB-CG 4.05Å; F30-Q286 HydrophobicContact CD1-CB 4.43Å; F30-Q286 HydrophobicContact CD2-CB 4.04Å; F30-Q286 HydrophobicContact CD2-CG 3.98Å; F30-Q286 HydrophobicContact CG-CB 3.76Å; F30-Q286 HydrophobicContact CG-CG 4.16Å; F30-I289 HydrophobicContact CE1-CD1 3.62Å; F30-I289 HydrophobicContact CE2-CD1 4.03Å; F30-I289 HydrophobicContact CZ-CD1 3.18Å; F30-I289 HydrophobicContact CZ-CG1 4.5Å |
| 31 | V | 88.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 25 Ų | 25 | 13% | 0.127 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -51.2 | 173 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | S27 L28 L33 R34 R35 | S27-V31 WeakPolarHBondContact O-CG2 3.34Å; S27-V31 PolarHBondContact O-N 3.07Å; S27-V31 VanDerWaalsContact O-N 3.1Å; L28-V31 PolarHBondContact O-N 2.95Å; L28-V31 VanDerWaalsContact O-N 3.11Å; V31-L33 PolarHBondContact O-N 3.41Å; V31-R34 PolarHBondContact O-N 3.41Å; V31-R35 HydrophobicContact CG1-CG 4.06Å; V31-R35 VanDerWaalsContact O-CB 3.32Å; V31-R35 WeakPolarHBondContact O-CB 3.48Å; V31-R35 WeakPolarHBondContact O-CG 3.3Å; V31-R35 PolarHBondContact O-N 2.74Å |
| 32 | V | 89.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.4 | -54.2 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | L28 P29 R34 R35 Q36 L69 L131 | L28-V32 HydrophobicContact CD1-CG2 4.21Å; L28-V32 HydrophobicContact CG-CG2 4.18Å; L28-V32 WeakPolarHBondContact O-CG2 3.5Å; L28-V32 PolarHBondContact O-N 3.15Å; P29-V32 PolarHBondContact O-N 2.88Å; V32-R34 PolarHBondContact O-N 3.48Å; V32-R35 PolarHBondContact O-N 2.73Å; V32-Q36 HydrophobicContact CG1-CG 4.15Å; V32-Q36 WeakPolarHBondContact O-CB 3.37Å; V32-Q36 WeakPolarHBondContact O-CG 3.45Å; V32-Q36 PolarHBondContact O-N 3.33Å; V32-L69 WeakPolarHBondContact CG2-O 3.26Å; V32-L131 HydrophobicContact CG2-CD2 3.72Å |
| 33 | L | 91.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 179.9 | -71.3 | 169.8 | 0 | 0 | 0 | 112.6 | P29 V31 C37 V57 L60 L69 M244 A282 | P29-L33 WeakPolarHBondContact O-CB 3.28Å; P29-L33 VanDerWaalsContact O-CG 3.24Å; P29-L33 WeakPolarHBondContact O-CG 3.47Å; P29-L33 PolarHBondContact O-N 3.29Å; V31-L33 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-N 3.3Å; L33-C37 VanDerWaalsContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.41Å; L33-V57 HydrophobicContact CD1-CG2 3.68Å; L33-V57 HydrophobicContact CD2-CG2 3.95Å; L33-V57 HydrophobicContact CG-CG2 4.5Å; L33-L60 HydrophobicContact CD2-CD1 4.13Å; L33-L69 HydrophobicContact CD1-CD2 4.06Å; L33-L69 HydrophobicContact CD2-CD2 3.78Å; L33-L69 HydrophobicContact CG-CD2 3.83Å; L33-M244 HydrophobicContact CD2-CE 3.64Å; L33-M244 HydrophobicContact CD2-SD 4.42Å; L33-A282 HydrophobicContact CB-CB 4.21Å |
| 34 | R | 91.6 | Very high | 88.4 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 177.2 | 179.3 | 172.7 | 58.7 | 171.3 | -7.4 | 111.1 | F30 V31 V32 C37 Q38 E219 Y223 A282 | F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.97Å; V31-R34 PolarHBondContact O-N 3.41Å; V32-R34 PolarHBondContact O-N 3.48Å; R34-C37 WeakPolarHBondContact O-CB 3.21Å; R34-C37 PolarHBondContact O-N 3.44Å; R34-Q38 HydrophobicContact CG-CG 4.39Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.21Å; R34-E219 IonicContact NH1-OE2 3.68Å; R34-E219 PolarHBondContact NH1-OE2 2.97Å; R34-Y223 HydrophobicContact CG-CE2 4.49Å; R34-Y223 WeakPolarHBondContact CG-OH 2.82Å; R34-A282 HydrophobicContact CB-CB 3.83Å |
| 35 | R | 89.2 | Confident | 88.8 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | -177.3 | -71.9 | -33.3 | -179.5 | -157.2 | 4.6 | 111.1 | V31 V32 C37 Q38 V39 F128 F132 Y230 | V31-R35 HydrophobicContact CG1-CG 4.06Å; V31-R35 VanDerWaalsContact O-CB 3.32Å; V31-R35 WeakPolarHBondContact O-CB 3.48Å; V31-R35 WeakPolarHBondContact O-CG 3.3Å; V31-R35 PolarHBondContact O-N 2.74Å; V32-R35 PolarHBondContact O-N 2.73Å; R35-C37 VanDerWaalsContact C-N 3.26Å; R35-C37 PolarHBondContact O-N 3Å; R35-Q38 PolarHBondContact O-N 2.96Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; R35-V39 WeakPolarHBondContact O-CG2 3.36Å; R35-V39 PolarHBondContact O-N 3.1Å; R35-F128 HydrophobicContact CG-CE1 4.05Å; R35-F132 HydrophobicContact CB-CE1 3.79Å; R35-F132 HydrophobicContact CB-CE2 4.39Å; R35-F132 HydrophobicContact CB-CZ 3.5Å; R35-F132 HydrophobicContact CG-CZ 4.45Å; R35-F132 WeakPolarHBondContact O-CE1 3.37Å; R35-F132 WeakPolarHBondContact O-CZ 3.48Å; R35-Y230 VanDerWaalsContact NH1-CD2 3.35Å; R35-Y230 PolarHBondContact NH1-OH 3.2Å; R35-Y230 PolarHBondContact NH2-OH 2.94Å |
| 36 | Q | 90.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -41.7 | 175.9 | -65.8 | -76.9 | -12.6 | 0 | 0 | 111.2 | V32 N40 L131 F132 I241 M244 | V32-Q36 HydrophobicContact CG1-CG 4.15Å; V32-Q36 WeakPolarHBondContact O-CB 3.37Å; V32-Q36 WeakPolarHBondContact O-CG 3.45Å; V32-Q36 PolarHBondContact O-N 3.33Å; Q36-N40 WeakPolarHBondContact O-CB 3.36Å; Q36-N40 PolarHBondContact O-N 3.31Å; Q36-L131 PolarHBondContact NE2-O 3Å; Q36-F132 HydrophobicContact CG-CD1 4.38Å; Q36-F132 HydrophobicContact CG-CE1 4.36Å; Q36-I241 VanDerWaalsContact OE1-CB 3.23Å; Q36-M244 HydrophobicContact CB-CG 3.69Å; Q36-M244 HydrophobicContact CB-SD 3.84Å |
| 37 | C | 91.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | L33 R34 R35 V39 N40 K278 | L33-C37 PolarHBondContact O-N 3.3Å; L33-C37 VanDerWaalsContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.41Å; R34-C37 WeakPolarHBondContact O-CB 3.21Å; R34-C37 PolarHBondContact O-N 3.44Å; R35-C37 VanDerWaalsContact C-N 3.26Å; R35-C37 PolarHBondContact O-N 3Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 PolarHBondContact O-N 3.24Å; C37-N40 PolarHBondContact O-N 3.39Å; C37-K278 WeakPolarHBondContact O-CB 3.1Å |
| 38 | Q | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | -173.6 | -77.5 | -179.9 | -57.8 | 0 | 0 | 113.5 | R34 R35 Y223 T227 R231 K278 | R34-Q38 HydrophobicContact CG-CG 4.39Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.21Å; R35-Q38 PolarHBondContact O-N 2.96Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; Q38-Y223 HydrophobicContact CG-CE1 4.38Å; Q38-Y223 PolarHBondContact NE2-OH 3.42Å; Q38-T227 HydrophobicContact CB-CG2 4.38Å; Q38-T227 PolarHBondContact NE2-OG1 3.3Å; Q38-R231 PolarHBondContact O-NE 3.13Å; Q38-R231 PolarHBondContact O-NH2 3.48Å; Q38-K278 WeakPolarHBondContact CG-O 3.33Å |
| 39 | V | 89.5 | Confident | 89.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -89.3 | -16.8 | -176.6 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | R35 C37 A41 F132 L234 I241 I253 | R35-V39 WeakPolarHBondContact O-CG2 3.36Å; R35-V39 PolarHBondContact O-N 3.1Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 PolarHBondContact O-N 3.24Å; V39-A41 PolarHBondContact O-N 3Å; V39-F132 HydrophobicContact CB-CE1 4.34Å; V39-F132 HydrophobicContact CB-CZ 4.1Å; V39-F132 HydrophobicContact CG1-CE1 4.13Å; V39-F132 HydrophobicContact CG1-CE2 4.01Å; V39-F132 HydrophobicContact CG1-CZ 3.42Å; V39-F132 VanDerWaalsContact CG1-CZ 3.42Å; V39-F132 HydrophobicContact CG2-CD1 4.02Å; V39-F132 HydrophobicContact CG2-CE1 3.31Å; V39-F132 HydrophobicContact CG2-CE2 4.44Å; V39-F132 HydrophobicContact CG2-CZ 3.55Å; V39-L234 HydrophobicContact CB-CD1 3.57Å; V39-L234 HydrophobicContact CG1-CD1 3.53Å; V39-L234 HydrophobicContact CG1-CG 4.36Å; V39-L234 HydrophobicContact CG2-CD1 3.68Å; V39-I241 HydrophobicContact CG2-CD1 4.3Å; V39-I241 HydrophobicContact CG2-CG2 4.04Å; V39-I253 HydrophobicContact CB-CD1 4.43Å; V39-I253 HydrophobicContact CG2-CD1 4.15Å; V39-I253 WeakPolarHBondContact O-CD1 2.94Å |
| 40 | N | 90.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | trans | -75.4 | 90.6 | 178.2 | -169.8 | -7.3 | 0 | 0 | 0 | 110.8 | Q36 C37 V42 A43 I241 K278 | Q36-N40 WeakPolarHBondContact O-CB 3.36Å; Q36-N40 PolarHBondContact O-N 3.31Å; C37-N40 PolarHBondContact O-N 3.39Å; N40-V42 VanDerWaalsContact C-N 3.28Å; N40-V42 PolarHBondContact O-N 3.45Å; N40-V42 PolarHBondContact OD1-N 3.33Å; N40-A43 HydrophobicContact CB-CB 3.97Å; N40-A43 WeakPolarHBondContact O-CB 3.48Å; N40-A43 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact OD1-N 3.34Å; N40-A43 VanDerWaalsContact OD1-N 3.11Å; N40-I241 HydrophobicContact CB-CD1 3.52Å; N40-K278 PolarHBondContact O-NZ 3.41Å | ||
| 41 | A | 88.5 | Confident | 89.5 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V39 A43 T255 E271 K278 | V39-A41 PolarHBondContact O-N 3Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 3.27Å; A41-T255 HydrophobicContact CB-CG2 3.75Å; A41-E271 VanDerWaalsContact CA-OE1 3.31Å; A41-E271 WeakPolarHBondContact CA-OE1 3.23Å; A41-K278 PolarHBondContact O-NZ 3.17Å |
| 42 | V | 88.4 | Confident | 89.7 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 69% | 0.691 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -13.7 | -176.7 | -171.9 | 0 | 0 | 0 | 0 | 112.8 | N40 I44 | N40-V42 VanDerWaalsContact C-N 3.28Å; N40-V42 PolarHBondContact O-N 3.45Å; N40-V42 PolarHBondContact OD1-N 3.33Å; V42-I44 PolarHBondContact O-N 3.46Å |
| 43 | A | 88.5 | Confident | 89.8 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | trans | -56.5 | 126.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | N40 A41 D245 K278 | N40-A43 HydrophobicContact CB-CB 3.97Å; N40-A43 WeakPolarHBondContact O-CB 3.48Å; N40-A43 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact OD1-N 3.34Å; N40-A43 VanDerWaalsContact OD1-N 3.11Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 3.27Å; A43-D245 WeakPolarHBondContact CA-OD2 3.17Å; A43-K278 PolarHBondContact O-NZ 3.3Å | ||
| 44 | I | 85.3 | Confident | 89.8 | Confident | 148 Ų | 148 | 48.4 Ų | 48.4 | 76% | 0.759 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -79.7 | -40.4 | 172.8 | -57.8 | 172.8 | 0 | 0 | 0 | 109.5 | V42 D245 | V42-I44 PolarHBondContact O-N 3.46Å; I44-D245 PolarHBondContact N-OD1 3.47Å; I44-D245 PolarHBondContact N-OD2 3.47Å |
| 45 | R | 87 | Confident | 89.8 | Confident | 127 Ų | 127 | 50.6 Ų | 50.6 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | trans | -91.4 | 111.7 | -179.5 | -61.1 | -179.4 | 176.7 | 173.3 | -5.8 | 110.1 | H47 D245 | R45-H47 VanDerWaalsContact C-N 3.35Å; R45-H47 PolarHBondContact O-CD2 3.47Å; R45-H47 PolarHBondContact O-N 3.42Å; R45-H47 PolarHBondContact O-NE2 3.33Å; R45-D245 WeakPolarHBondContact CA-OD1 3.04Å; R45-D245 VanDerWaalsContact CB-OD1 3.29Å; R45-D245 WeakPolarHBondContact CB-OD1 3.34Å; R45-D245 PolarHBondContact N-OD1 3.49Å; R45-D245 PolarHBondContact NH1-O 2.98Å | ||
| 46 | C | 85.8 | Confident | 89.9 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | trans | -80.4 | -7.6 | -177.4 | -64.8 | 0 | 0 | 0 | 0 | 115.1 | R48 K278 G279 | C46-R48 HydrophobicContact CB-CG 4.05Å; C46-R48 PolarHBondContact O-N 3.07Å; C46-K278 HydrophobicContact CB-CG 3.97Å; C46-K278 CarbonylContact O-C 3.51Å; C46-K278 WeakPolarHBondContact O-CA 3.28Å; C46-G279 PolarHBondContact O-N 3.46Å | ||
| 47 | H | 91.2 | Very high | 90 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | trans | 46.9 | 54.4 | 179.7 | -59.4 | -49.1 | 0 | 0 | 0 | 115.7 | R45 T52 L53 I56 M244 G279 F280 G281 | R45-H47 VanDerWaalsContact C-N 3.35Å; R45-H47 PolarHBondContact O-CD2 3.47Å; R45-H47 PolarHBondContact O-N 3.42Å; R45-H47 PolarHBondContact O-NE2 3.33Å; H47-T52 WeakPolarHBondContact CA-OG1 3.44Å; H47-T52 PolarHBondContact ND1-OG1 3.03Å; H47-L53 HydrophobicContact CB-CD2 3.65Å; H47-L53 HydrophobicContact CB-CG 4.1Å; H47-I56 WeakPolarHBondContact CE1-CD1 3.48Å; H47-I56 WeakPolarHBondContact NE2-CD1 3.45Å; H47-M244 PolarHBondContact NE2-O 3.01Å; H47-G279 CarbonylContact O-C 3.57Å; H47-F280 PolarHBondContact O-N 2.82Å; H47-G281 WeakPolarHBondContact O-CA 3.34Å; H47-G281 PolarHBondContact O-N 2.76Å | ||
| 48 | R | 88.4 | Confident | 90 | Very high | 128 Ų | 128 | 57.8 Ų | 57.8 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | trans | -80.4 | -24.3 | -177.5 | -64.6 | 177.8 | -64.5 | 161.4 | 5.5 | 113.2 | C46 G281 | C46-R48 HydrophobicContact CB-CG 4.05Å; C46-R48 PolarHBondContact O-N 3.07Å; R48-G281 WeakPolarHBondContact O-CA 3.41Å; R48-G281 PolarHBondContact O-N 2.84Å | ||
| 49 | T | 90.8 | Very high | 90 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -109.9 | 145.4 | 178 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | F51 T52 | T49-F51 PolarHBondContact O-N 3.47Å; T49-T52 PolarHBondContact O-N 2.94Å; T49-T52 PolarHBondContact O-OG1 2.93Å; T49-T52 VanDerWaalsContact OG1-CG2 3.24Å; T49-T52 WeakPolarHBondContact OG1-CG2 3.39Å |
| 50 | P | 89.5 | Confident | 90.1 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -59.6 | -33.3 | -178.4 | 24.6 | -35 | 0 | 0 | 0 | 112.9 | T52 L53 V284 L285 | P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å; P50-L53 WeakPolarHBondContact O-CB 3.3Å; P50-L53 PolarHBondContact O-N 3.24Å; P50-V284 HydrophobicContact CG-CG1 4.31Å; P50-L285 HydrophobicContact CB-CB 3.92Å; P50-L285 HydrophobicContact CB-CD1 4.19Å |
| 51 | F | 91.9 | Very high | 90.1 | Very high | 172 Ų | 172 | 64.9 Ų | 64.9 | 75% | 0.754 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -65.6 | -29.1 | -176.6 | -54.1 | -70 | 0 | 0 | 0 | 114.1 | T49 L53 A54 | T49-F51 PolarHBondContact O-N 3.47Å; F51-L53 PolarHBondContact O-N 3.46Å; F51-A54 PolarHBondContact O-N 2.89Å |
| 52 | T | 92.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -71.6 | -16.9 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | H47 T49 P50 P55 | H47-T52 WeakPolarHBondContact CA-OG1 3.44Å; H47-T52 PolarHBondContact ND1-OG1 3.03Å; T49-T52 PolarHBondContact O-N 2.94Å; T49-T52 PolarHBondContact O-OG1 2.93Å; T49-T52 VanDerWaalsContact OG1-CG2 3.24Å; T49-T52 WeakPolarHBondContact OG1-CG2 3.39Å; P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å; T52-P55 WeakPolarHBondContact O-CD 3.37Å |
| 53 | L | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -79.2 | -27.1 | 177.8 | -68.6 | 166.8 | 0 | 0 | 0 | 112.7 | H47 P50 F51 I56 V57 M244 A282 | H47-L53 HydrophobicContact CB-CD2 3.65Å; H47-L53 HydrophobicContact CB-CG 4.1Å; P50-L53 WeakPolarHBondContact O-CB 3.3Å; P50-L53 PolarHBondContact O-N 3.24Å; F51-L53 PolarHBondContact O-N 3.46Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I56 VanDerWaalsContact O-N 3.08Å; L53-V57 HydrophobicContact CB-CG2 4.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.02Å; L53-M244 HydrophobicContact CD2-CE 4.11Å; L53-A282 HydrophobicContact CD1-CB 3.64Å |
| 54 | A | 91.6 | Very high | 90.1 | Very high | 63 Ų | 63 | 71 Ų | 71 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.3 | -51.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | F51 I56 V57 Y58 | F51-A54 PolarHBondContact O-N 2.89Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.35Å; A54-V57 PolarHBondContact O-N 3.38Å; A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.13Å |
| 55 | P | 91.4 | Very high | 90.2 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 179.4 | 24.6 | -35.2 | 0 | 0 | 0 | 113.1 | T52 N59 | T52-P55 WeakPolarHBondContact O-CD 3.37Å; P55-N59 VanDerWaalsContact O-CG 3.26Å; P55-N59 PolarHBondContact O-N 3.45Å |
| 56 | I | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.8 | -40.3 | -178.9 | -70 | 143.1 | 0 | 0 | 0 | 111.3 | H47 L53 A54 Y58 N59 L60 M244 | H47-I56 WeakPolarHBondContact CE1-CD1 3.48Å; H47-I56 WeakPolarHBondContact NE2-CD1 3.45Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I56 VanDerWaalsContact O-N 3.08Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.35Å; I56-Y58 VanDerWaalsContact C-N 3.25Å; I56-Y58 PolarHBondContact O-N 3.32Å; I56-N59 PolarHBondContact O-N 3Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.24Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.36Å; I56-M244 WeakPolarHBondContact CD1-O 3.28Å; I56-M244 HydrophobicContact CG2-CE 3.64Å; I56-M244 HydrophobicContact CG2-SD 4.2Å |
| 57 | V | 91.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.4 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | L33 L53 A54 L60 Q61 L69 | L33-V57 HydrophobicContact CD1-CG2 3.68Å; L33-V57 HydrophobicContact CD2-CG2 3.95Å; L33-V57 HydrophobicContact CG-CG2 4.5Å; L53-V57 HydrophobicContact CB-CG2 4.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.02Å; A54-V57 PolarHBondContact O-N 3.38Å; V57-L60 PolarHBondContact O-N 3.06Å; V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 PolarHBondContact O-N 3.42Å; V57-L69 HydrophobicContact CG1-CD1 4.3Å |
| 58 | Y | 92.6 | Very high | 89.8 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.7 | -50.3 | 173.8 | -179.4 | -102.4 | 0 | 0 | 0 | 112.1 | A54 I56 L60 Q61 L62 | A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.13Å; I56-Y58 VanDerWaalsContact C-N 3.25Å; I56-Y58 PolarHBondContact O-N 3.32Å; Y58-L60 PolarHBondContact O-N 2.97Å; Y58-Q61 PolarHBondContact O-N 3.1Å; Y58-L62 HydrophobicContact CD1-CD1 3.94Å; Y58-L62 HydrophobicContact CE1-CD1 3.37Å; Y58-L62 HydrophobicContact CE1-CG 4.25Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 WeakPolarHBondContact O-CG 3.43Å; Y58-L62 PolarHBondContact O-N 2.87Å |
| 59 | N | 92.1 | Very high | 89.8 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 178.1 | -71.3 | -10.7 | 0 | 0 | 0 | 112.7 | P55 I56 L62 N63 N246 G247 | P55-N59 VanDerWaalsContact O-CG 3.26Å; P55-N59 PolarHBondContact O-N 3.45Å; I56-N59 PolarHBondContact O-N 3Å; N59-L62 PolarHBondContact O-N 3.43Å; N59-N63 PolarHBondContact O-N 3.29Å; N59-N63 PolarHBondContact O-ND2 2.88Å; N59-N246 WeakPolarHBondContact CB-O 2.81Å; N59-N246 PolarHBondContact ND2-O 2.98Å; N59-G247 CarbonylContact C-O 3.56Å |
| 60 | L | 90.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.9 | -75.6 | 171.1 | 0 | 0 | 0 | 111.3 | L33 I56 V57 Y58 L62 N63 Q64 D242 M244 | L33-L60 HydrophobicContact CD2-CD1 4.13Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.24Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.36Å; V57-L60 PolarHBondContact O-N 3.06Å; Y58-L60 PolarHBondContact O-N 2.97Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.36Å; L60-N63 PolarHBondContact O-N 2.95Å; L60-Q64 PolarHBondContact O-N 3.07Å; L60-D242 HydrophobicContact CD2-CB 4.07Å; L60-M244 HydrophobicContact CD1-CE 4.39Å; L60-M244 HydrophobicContact CD1-SD 4.07Å |
| 61 | Q | 91.6 | Very high | 89.2 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.5 | 177.2 | 175.5 | -23.4 | 0 | 0 | 111.7 | V57 Y58 G65 V66 | V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 PolarHBondContact O-N 3.42Å; Y58-Q61 PolarHBondContact O-N 3.1Å; Q61-G65 WeakPolarHBondContact O-CA 3.47Å; Q61-G65 PolarHBondContact O-N 3.42Å; Q61-V66 HydrophobicContact CG-CG1 3.77Å |
| 62 | L | 90.9 | Very high | 88.7 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 59% | 0.586 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 177 | -72.4 | 178.8 | 0 | 0 | 0 | 112.7 | Y58 N59 L60 | Y58-L62 HydrophobicContact CD1-CD1 3.94Å; Y58-L62 HydrophobicContact CE1-CD1 3.37Å; Y58-L62 HydrophobicContact CE1-CG 4.25Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 WeakPolarHBondContact O-CG 3.43Å; Y58-L62 PolarHBondContact O-N 2.87Å; N59-L62 PolarHBondContact O-N 3.43Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.36Å |
| 63 | N | 87.9 | Confident | 88.2 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -86.5 | -31.8 | -173.9 | -66.4 | -43.2 | 0 | 0 | 0 | 114.1 | N59 L60 G247 T248 | N59-N63 PolarHBondContact O-N 3.29Å; N59-N63 PolarHBondContact O-ND2 2.88Å; L60-N63 PolarHBondContact O-N 2.95Å; N63-G247 PolarHBondContact ND2-O 3.49Å; N63-T248 WeakPolarHBondContact ND2-CA 3.38Å; N63-T248 WeakPolarHBondContact ND2-CG2 2.93Å |
| 64 | Q | 85.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -125.7 | -6 | -172.4 | -58.7 | -174.4 | 10.3 | 0 | 0 | 113.9 | L60 C68 D242 | L60-Q64 PolarHBondContact O-N 3.07Å; Q64-C68 HydrophobicContact CB-CB 3.71Å; Q64-D242 PolarHBondContact NE2-OD1 3.05Å; Q64-D242 PolarHBondContact OE1-OD1 3.31Å |
| 65 | G | 87.6 | Confident | 87 | Confident | 30 Ų | 30 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | trans | 75.3 | 169.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q61 H67 C68 | Q61-G65 WeakPolarHBondContact O-CA 3.47Å; Q61-G65 PolarHBondContact O-N 3.42Å; G65-H67 PolarHBondContact O-N 2.8Å; G65-C68 WeakPolarHBondContact O-CB 3.3Å; G65-C68 PolarHBondContact O-N 2.85Å | ||
| 66 | V | 86.6 | Confident | 86.4 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -63.9 | -24.8 | -177.6 | -64.5 | 0 | 0 | 0 | 0 | 113.9 | Q61 C68 L69 | Q61-V66 HydrophobicContact CG-CG1 3.77Å; V66-C68 PolarHBondContact O-N 3.37Å; V66-C68 VanDerWaalsContact O-N 3.11Å; V66-L69 PolarHBondContact O-N 3.39Å |
| 67 | H | 85.3 | Confident | 85.9 | Confident | 138 Ų | 138 | 56.2 Ų | 56.2 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -60.9 | -20.8 | 177.6 | -178.7 | -87.4 | 0 | 0 | 0 | 112.2 | G65 L69 W70 K71 | G65-H67 PolarHBondContact O-N 2.8Å; H67-L69 PolarHBondContact O-N 3.28Å; H67-W70 PolarHBondContact O-N 2.89Å; H67-W70 VanDerWaalsContact O-N 3.1Å; H67-K71 PolarHBondContact O-N 2.92Å |
| 68 | C | 84 | Confident | 85.3 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -61.1 | -28.7 | 178.8 | 101.5 | 0 | 0 | 0 | 0 | 113 | Q64 G65 V66 W70 K71 | Q64-C68 HydrophobicContact CB-CB 3.71Å; G65-C68 WeakPolarHBondContact O-CB 3.3Å; G65-C68 PolarHBondContact O-N 2.85Å; V66-C68 PolarHBondContact O-N 3.37Å; V66-C68 VanDerWaalsContact O-N 3.11Å; C68-W70 VanDerWaalsContact C-N 3.33Å; C68-K71 VanDerWaalsContact O-CD 3.26Å; C68-K71 WeakPolarHBondContact O-CD 3.43Å; C68-K71 WeakPolarHBondContact O-CG 3.1Å |
| 69 | L | 87.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -78.6 | -19.9 | 179.9 | -64.2 | 176.7 | 0 | 0 | 0 | 112.8 | P29 V32 L33 V57 V66 H67 | P29-L69 WeakPolarHBondContact CA-O 3.24Å; P29-L69 HydrophobicContact CB-CB 3.97Å; P29-L69 HydrophobicContact CB-CD1 4.43Å; P29-L69 HydrophobicContact CG-CB 4.26Å; V32-L69 WeakPolarHBondContact CG2-O 3.26Å; L33-L69 HydrophobicContact CD1-CD2 4.06Å; L33-L69 HydrophobicContact CD2-CD2 3.78Å; L33-L69 HydrophobicContact CG-CD2 3.83Å; V57-L69 HydrophobicContact CG1-CD1 4.3Å; V66-L69 PolarHBondContact O-N 3.39Å; H67-L69 PolarHBondContact O-N 3.28Å |
| 70 | W | 86.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 50 Ų | 50 | 25% | 0.254 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -102.3 | 19.6 | 175.5 | -83.5 | -95.5 | 0 | 0 | 0 | 112.8 | F25 L28 P29 H67 C68 G72 V73 | F25-W70 HydrophobicContact CD1-CZ2 4.33Å; F25-W70 AromaticContact CD1-NE1 3.79Å; F25-W70 AromaticContact CD2-CD1 3.69Å; F25-W70 AromaticContact CD2-NE1 3.43Å; F25-W70 AromaticContact CE1-CE2 3.88Å; F25-W70 AromaticContact CE1-CZ2 3.84Å; F25-W70 HydrophobicContact CE1-CZ2 3.84Å; F25-W70 AromaticContact CE1-NE1 3.65Å; F25-W70 AromaticContact CE2-CD1 3.41Å; F25-W70 VanDerWaalsContact CE2-CD1 3.41Å; F25-W70 HydrophobicContact CE2-CG 4.3Å; F25-W70 AromaticContact CE2-NE1 3.28Å; F25-W70 VanDerWaalsContact CE2-NE1 3.28Å; F25-W70 AromaticContact CG-NE1 3.68Å; F25-W70 AromaticContact CZ-CD1 3.89Å; F25-W70 HydrophobicContact CZ-CD2 4.44Å; F25-W70 AromaticContact CZ-CE2 3.73Å; F25-W70 HydrophobicContact CZ-CZ2 4.1Å; F25-W70 AromaticContact CZ-NE1 3.39Å; F25-W70 PolarHBondContact O-NE1 3.47Å; L28-W70 HydrophobicContact CD2-CB 4.22Å; L28-W70 HydrophobicContact CD2-CG 4.15Å; P29-W70 HydrophobicContact CG-CD2 3.9Å; P29-W70 HydrophobicContact CG-CE3 3.92Å; P29-W70 HydrophobicContact CG-CH2 3.37Å; P29-W70 HydrophobicContact CG-CZ2 3.33Å; P29-W70 HydrophobicContact CG-CZ3 3.66Å; H67-W70 PolarHBondContact O-N 2.89Å; H67-W70 VanDerWaalsContact O-N 3.1Å; C68-W70 VanDerWaalsContact C-N 3.33Å; W70-G72 PolarHBondContact O-N 2.85Å; W70-V73 WeakPolarHBondContact O-CB 3.17Å; W70-V73 PolarHBondContact O-N 3.22Å; W70-V73 VanDerWaalsContact O-N 3.1Å |
| 71 | K | 82.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 11% | 0.109 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 132.8 | 170.6 | -76 | 172.7 | -170.9 | 178.9 | 0 | 110 | H67 C68 V73 D242 | H67-K71 PolarHBondContact O-N 2.92Å; C68-K71 VanDerWaalsContact O-CD 3.26Å; C68-K71 WeakPolarHBondContact O-CD 3.43Å; C68-K71 WeakPolarHBondContact O-CG 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.99Å; K71-D242 IonicContact NZ-OD1 2.63Å; K71-D242 PolarHBondContact NZ-OD1 3.12Å; K71-D242 IonicContact NZ-OD2 3.57Å; K71-D242 PolarHBondContact NZ-OD2 2.97Å |
| 72 | G | 79.6 | Confident | 82.8 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 9.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W70 S74 S75 S76 | W70-G72 PolarHBondContact O-N 2.85Å; G72-S74 VanDerWaalsContact C-N 3.27Å; G72-S74 PolarHBondContact O-N 3.34Å; G72-S75 PolarHBondContact O-N 2.78Å; G72-S76 VanDerWaalsContact O-CB 3.28Å; G72-S76 WeakPolarHBondContact O-CB 3.18Å; G72-S76 PolarHBondContact O-N 3.24Å |
| 73 | V | 82.6 | Confident | 82.1 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.9 | -42.2 | 179.4 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | F25 L28 W70 K71 S76 I77 | F25-V73 HydrophobicContact CD2-CG2 4.28Å; L28-V73 HydrophobicContact CD2-CB 3.46Å; L28-V73 VanDerWaalsContact CD2-CB 3.46Å; L28-V73 HydrophobicContact CD2-CG2 3.74Å; W70-V73 WeakPolarHBondContact O-CB 3.17Å; W70-V73 PolarHBondContact O-N 3.22Å; W70-V73 VanDerWaalsContact O-N 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.99Å; V73-S76 WeakPolarHBondContact O-CB 3.45Å; V73-S76 PolarHBondContact O-N 3.39Å; V73-I77 HydrophobicContact CG2-CD1 4.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 2.77Å |
| 74 | S | 80.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 46 Ų | 46 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.8 | -48 | -179 | 54.4 | 0 | 0 | 0 | 0 | 112 | G72 S76 I77 V78 | G72-S74 VanDerWaalsContact C-N 3.27Å; G72-S74 PolarHBondContact O-N 3.34Å; S74-S76 PolarHBondContact O-N 3.04Å; S74-I77 PolarHBondContact O-N 3.44Å; S74-V78 WeakPolarHBondContact O-CG2 3.3Å; S74-V78 PolarHBondContact O-N 3.16Å |
| 75 | S | 78.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | G72 I77 V78 T79 S130 | G72-S75 PolarHBondContact O-N 2.78Å; S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.28Å; S75-V78 PolarHBondContact O-N 3.04Å; S75-T79 WeakPolarHBondContact O-CB 3.36Å; S75-T79 WeakPolarHBondContact O-CG2 3.25Å; S75-T79 PolarHBondContact O-N 3.32Å; S75-T79 PolarHBondContact O-OG1 3.41Å; S75-T79 VanDerWaalsContact O-OG1 3.04Å; S75-S130 WeakPolarHBondContact CB-OG 3.39Å; S75-S130 VanDerWaalsContact OG-CB 3.31Å; S75-S130 WeakPolarHBondContact OG-CB 2.91Å; S75-S130 PolarHBondContact OG-OG 2.94Å |
| 76 | S | 78.3 | Confident | 80.9 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -32.4 | 178.7 | -162.4 | 0 | 0 | 0 | 0 | 114.2 | G72 V73 S74 T79 R80 L127 | G72-S76 VanDerWaalsContact O-CB 3.28Å; G72-S76 WeakPolarHBondContact O-CB 3.18Å; G72-S76 PolarHBondContact O-N 3.24Å; V73-S76 WeakPolarHBondContact O-CB 3.45Å; V73-S76 PolarHBondContact O-N 3.39Å; S74-S76 PolarHBondContact O-N 3.04Å; S76-T79 PolarHBondContact O-OG1 3.33Å; S76-R80 WeakPolarHBondContact O-CB 3.34Å; S76-R80 VanDerWaalsContact O-CG 3.22Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.31Å; S76-R80 PolarHBondContact OG-NH1 3.34Å; S76-L127 VanDerWaalsContact CA-CD2 3.49Å |
| 77 | I | 80.8 | Confident | 80.3 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 43% | 0.431 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.4 | -48.2 | 171.8 | -67.9 | 164.5 | 0 | 0 | 0 | 109.7 | L21 V73 S74 S75 R80 G81 | L21-I77 HydrophobicContact CD2-CG1 4.43Å; L21-I77 HydrophobicContact CD2-CG2 4.48Å; V73-I77 HydrophobicContact CG2-CD1 4.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 2.77Å; S74-I77 PolarHBondContact O-N 3.44Å; S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.28Å; I77-R80 PolarHBondContact O-N 3.21Å; I77-G81 PolarHBondContact O-N 3.24Å |
| 78 | V | 80.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -48.6 | -178.6 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | S74 S75 R80 G81 L82 I140 | S74-V78 WeakPolarHBondContact O-CG2 3.3Å; S74-V78 PolarHBondContact O-N 3.16Å; S75-V78 PolarHBondContact O-N 3.04Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.32Å; V78-G81 PolarHBondContact O-N 3.23Å; V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.44Å; V78-I140 HydrophobicContact CB-CG2 4.45Å; V78-I140 HydrophobicContact CG1-CG2 4.5Å; V78-I140 HydrophobicContact CG2-CG2 3.96Å |
| 79 | T | 77.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | -179.7 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | S75 S76 L82 D83 M126 L127 | S75-T79 WeakPolarHBondContact O-CB 3.36Å; S75-T79 WeakPolarHBondContact O-CG2 3.25Å; S75-T79 PolarHBondContact O-N 3.32Å; S75-T79 PolarHBondContact O-OG1 3.41Å; S75-T79 VanDerWaalsContact O-OG1 3.04Å; S76-T79 PolarHBondContact O-OG1 3.33Å; T79-L82 PolarHBondContact O-N 2.85Å; T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.44Å; T79-M126 HydrophobicContact CG2-CB 4.18Å; T79-M126 HydrophobicContact CG2-CE 4.43Å; T79-L127 HydrophobicContact CG2-CD1 4.44Å; T79-L127 HydrophobicContact CG2-CD2 3.9Å; T79-L127 HydrophobicContact CG2-CG 3.59Å; T79-L127 WeakPolarHBondContact OG1-CD1 3Å; T79-L127 WeakPolarHBondContact OG1-CD2 3.15Å; T79-L127 WeakPolarHBondContact OG1-CG 3.23Å |
| 80 | R | 76.5 | Confident | 79.3 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 18% | 0.181 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -37.4 | 173.8 | -77.7 | -171.1 | -174.8 | 108.6 | -8.2 | 112.4 | M1 N24 S76 I77 V78 L82 D83 I84 | M1-R80 PolarHBondContact SD-NH2 3.41Å; N24-R80 VanDerWaalsContact CB-NH1 3.27Å; N24-R80 VanDerWaalsContact CG-CD 3.47Å; N24-R80 WeakPolarHBondContact ND2-CD 3.36Å; N24-R80 PolarHBondContact ND2-NE 3.12Å; N24-R80 PolarHBondContact OD1-NE 2.94Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å; N24-R80 PolarHBondContact OD1-NH2 2.91Å; S76-R80 WeakPolarHBondContact O-CB 3.34Å; S76-R80 VanDerWaalsContact O-CG 3.22Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.31Å; S76-R80 PolarHBondContact OG-NH1 3.34Å; I77-R80 PolarHBondContact O-N 3.21Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.32Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-D83 PolarHBondContact O-N 3.34Å; R80-I84 WeakPolarHBondContact O-CD1 3.28Å; R80-I84 VanDerWaalsContact O-CG1 3.24Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.2Å |
| 81 | G | 79.1 | Confident | 78.8 | Confident | 41 Ų | 41 | 44 Ų | 44 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I77 V78 I84 L85 | I77-G81 PolarHBondContact O-N 3.24Å; V78-G81 PolarHBondContact O-N 3.23Å; G81-I84 PolarHBondContact O-N 3.21Å; G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.84Å |
| 82 | L | 80.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.6 | -70.8 | 173.8 | 0 | 0 | 0 | 112.4 | V78 T79 R80 I84 L85 L86 L123 M126 | V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.44Å; T79-L82 PolarHBondContact O-N 2.85Å; R80-L82 VanDerWaalsContact C-N 3.32Å; L82-I84 PolarHBondContact O-N 3.48Å; L82-L85 PolarHBondContact O-N 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 2.94Å; L82-L123 HydrophobicContact CB-CD2 3.65Å; L82-L123 HydrophobicContact CD1-CD2 3.76Å; L82-L123 HydrophobicContact CG-CD2 4.37Å; L82-M126 HydrophobicContact CD1-CE 4.36Å |
| 83 | D | 76.3 | Confident | 79 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 175.2 | -76.4 | -40.6 | 0 | 0 | 0 | 109.9 | T79 R80 L85 L86 D87 L123 | T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.44Å; R80-D83 PolarHBondContact O-N 3.34Å; D83-L85 PolarHBondContact O-N 3.01Å; D83-L86 PolarHBondContact O-N 2.86Å; D83-D87 VanDerWaalsContact O-CB 3.31Å; D83-D87 WeakPolarHBondContact O-CB 3.39Å; D83-D87 VanDerWaalsContact O-CG 3.26Å; D83-D87 PolarHBondContact O-N 3.21Å; D83-L123 WeakPolarHBondContact OD1-CD1 3.29Å |
| 84 | I | 77.4 | Confident | 78.9 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.2 | -67.6 | 164.6 | 0 | 0 | 0 | 111.2 | R80 G81 L82 D87 T88 | R80-I84 WeakPolarHBondContact O-CD1 3.28Å; R80-I84 VanDerWaalsContact O-CG1 3.24Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.2Å; G81-I84 PolarHBondContact O-N 3.21Å; L82-I84 PolarHBondContact O-N 3.48Å; I84-D87 PolarHBondContact O-N 2.91Å; I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.4Å; I84-T88 PolarHBondContact O-OG1 2.68Å |
| 85 | L | 80.5 | Confident | 78.6 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 178.7 | 178.5 | 63.7 | 0 | 0 | 0 | 110.9 | G81 L82 D83 T88 V89 | G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.84Å; L82-L85 PolarHBondContact O-N 3.28Å; D83-L85 PolarHBondContact O-N 3.01Å; L85-T88 WeakPolarHBondContact O-CB 3.32Å; L85-T88 PolarHBondContact O-N 3.42Å; L85-V89 HydrophobicContact CD1-CG2 4.34Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.15Å |
| 86 | L | 78.7 | Confident | 78.1 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.4 | -73.2 | 165.7 | 0 | 0 | 0 | 111.2 | L82 D83 T88 V89 L90 L123 | L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 2.94Å; D83-L86 PolarHBondContact O-N 2.86Å; L86-T88 PolarHBondContact O-N 2.98Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-L90 HydrophobicContact CB-CD1 4.1Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CD1 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.77Å; L86-L123 HydrophobicContact CD1-CD1 3.41Å; L86-L123 VanDerWaalsContact CD1-CD1 3.41Å; L86-L123 HydrophobicContact CD1-CG 4.43Å |
| 87 | D | 72.1 | Confident | 77.4 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 174.2 | -78.1 | -7 | 0 | 0 | 0 | 111 | D83 I84 A91 F116 | D83-D87 VanDerWaalsContact O-CB 3.31Å; D83-D87 WeakPolarHBondContact O-CB 3.39Å; D83-D87 VanDerWaalsContact O-CG 3.26Å; D83-D87 PolarHBondContact O-N 3.21Å; I84-D87 PolarHBondContact O-N 2.91Å; D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 3.3Å; D87-F116 HydrophobicContact CB-CD1 4.17Å; D87-F116 HydrophobicContact CB-CE1 4.13Å; D87-F116 VanDerWaalsContact O-CE1 3.3Å; D87-F116 WeakPolarHBondContact O-CE1 3.4Å; D87-F116 WeakPolarHBondContact OD1-CD1 3.47Å |
| 88 | T | 77.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -53 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | I84 L85 L86 L90 A91 D92 | I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.4Å; I84-T88 PolarHBondContact O-OG1 2.68Å; L85-T88 WeakPolarHBondContact O-CB 3.32Å; L85-T88 PolarHBondContact O-N 3.42Å; L86-T88 PolarHBondContact O-N 2.98Å; T88-L90 PolarHBondContact O-N 2.7Å; T88-A91 PolarHBondContact O-N 2.88Å; T88-D92 WeakPolarHBondContact O-CB 3.21Å; T88-D92 PolarHBondContact O-N 3.42Å |
| 89 | V | 82.7 | Confident | 75.2 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 179.9 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | L85 L86 D92 L93 | L85-V89 HydrophobicContact CD1-CG2 4.34Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.15Å; L86-V89 PolarHBondContact O-N 3.12Å; V89-D92 PolarHBondContact O-N 2.85Å; V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 2.86Å |
| 90 | L | 76.9 | Confident | 74.1 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -81.4 | -28.1 | -175.9 | -69.5 | 147.5 | 0 | 0 | 0 | 113.2 | L86 T88 D92 L93 L94 F116 R119 | L86-L90 HydrophobicContact CB-CD1 4.1Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CD1 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.77Å; T88-L90 PolarHBondContact O-N 2.7Å; L90-D92 VanDerWaalsContact C-N 3.29Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3Å; L90-F116 HydrophobicContact CB-CE1 4.03Å; L90-R119 VanDerWaalsContact CB-NH1 3.27Å; L90-R119 HydrophobicContact CD1-CG 3.7Å; L90-R119 VanDerWaalsContact CD2-NH2 3.31Å |
| 91 | A | 75.6 | Confident | 73 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.017 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | D87 T88 L94 G95 L96 R98 F116 | D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 3.3Å; T88-A91 PolarHBondContact O-N 2.88Å; A91-L94 PolarHBondContact O-N 3.45Å; A91-G95 WeakPolarHBondContact O-CA 3.29Å; A91-G95 PolarHBondContact O-N 3.47Å; A91-L96 PolarHBondContact O-N 3.08Å; A91-R98 HydrophobicContact CB-CG 3.53Å; A91-F116 HydrophobicContact CB-CZ 3.98Å |
| 92 | D | 83.5 | Confident | 71.7 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.7 | -43.3 | -177.8 | -67.4 | -4.1 | 0 | 0 | 0 | 112 | T88 V89 L90 L94 R98 | T88-D92 WeakPolarHBondContact O-CB 3.21Å; T88-D92 PolarHBondContact O-N 3.42Å; V89-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact C-N 3.29Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.1Å; D92-R98 IonicContact OD1-CZ 2.71Å; D92-R98 IonicContact OD1-NE 3.71Å; D92-R98 PolarHBondContact OD1-NE 2.86Å; D92-R98 IonicContact OD1-NH2 3.18Å; D92-R98 PolarHBondContact OD1-NH2 3.05Å; D92-R98 IonicContact OD2-CZ 2.67Å; D92-R98 IonicContact OD2-NH2 3.91Å; D92-R98 PolarHBondContact OD2-NH2 3.25Å |
| 93 | L | 83.4 | Confident | 70.2 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.6 | -30.7 | 176.4 | -75.4 | 169.8 | 0 | 0 | 0 | 113.2 | V89 L90 | V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 2.86Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å |
| 94 | L | 79.5 | Confident | 69.2 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 45% | 0.45 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -107.9 | -0.5 | -173.4 | -60.9 | 173.8 | 0 | 0 | 0 | 113.7 | L90 A91 D92 L96 L115 R119 | L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3Å; A91-L94 PolarHBondContact O-N 3.45Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.1Å; L94-L96 HydrophobicContact CB-CB 4.49Å; L94-L96 HydrophobicContact CB-CD1 3.69Å; L94-L96 HydrophobicContact CB-CG 3.83Å; L94-L96 HydrophobicContact CD1-CD1 3.8Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 PolarHBondContact O-N 3.27Å; L94-L115 HydrophobicContact CD1-CD1 3.8Å; L94-R119 VanDerWaalsContact CD1-NH2 3.26Å |
| 95 | G | 73.4 | Confident | 68.3 | Low | 72 Ų | 72 | 78.9 Ų | 78.9 | 74% | 0.742 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 25.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A91 | A91-G95 WeakPolarHBondContact O-CA 3.29Å; A91-G95 PolarHBondContact O-N 3.47Å |
| 96 | L | 68.9 | Low | 67.6 | Low | 30 Ų | 30 | 76.1 Ų | 76.1 | 16% | 0.157 | 43% | 0.426 | C | S | . | . | trans | -87.4 | 148.3 | -174.9 | -73 | 169.4 | 0 | 0 | 0 | 111.2 | A91 L94 R98 A112 L115 | A91-L96 PolarHBondContact O-N 3.08Å; L94-L96 HydrophobicContact CB-CB 4.49Å; L94-L96 HydrophobicContact CB-CD1 3.69Å; L94-L96 HydrophobicContact CB-CG 3.83Å; L94-L96 HydrophobicContact CD1-CD1 3.8Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 PolarHBondContact O-N 3.27Å; L96-R98 PolarHBondContact O-N 2.85Å; L96-A112 HydrophobicContact CD1-CB 4.28Å; L96-A112 HydrophobicContact CD2-CB 4.41Å; L96-L115 HydrophobicContact CD1-CD1 3.84Å | ||
| 97 | P | 64.6 | Low | 67.1 | Low | 59 Ų | 59 | 81.8 Ų | 81.8 | 38% | 0.383 | 45% | 0.448 | S | S | . | . | trans | -62.3 | 120.5 | 179 | 24.9 | -33.5 | 0 | 0 | 0 | 111.2 | F99 L100 | P97-F99 VanDerWaalsContact C-N 3.27Å; P97-F99 PolarHBondContact O-N 3.28Å; P97-L100 HydrophobicContact CG-CD2 3.88Å | ||
| 98 | R | 58 | Low | 66.9 | Low | 149 Ų | 149 | 81.7 Ų | 81.7 | 56% | 0.562 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -64.2 | -29.5 | 178.3 | -67.2 | 178.2 | -178.3 | 176.9 | -1.2 | 113.2 | A91 D92 L96 | A91-R98 HydrophobicContact CB-CG 3.53Å; D92-R98 IonicContact OD1-CZ 2.71Å; D92-R98 IonicContact OD1-NE 3.71Å; D92-R98 PolarHBondContact OD1-NE 2.86Å; D92-R98 IonicContact OD1-NH2 3.18Å; D92-R98 PolarHBondContact OD1-NH2 3.05Å; D92-R98 IonicContact OD2-CZ 2.67Å; D92-R98 IonicContact OD2-NH2 3.91Å; D92-R98 PolarHBondContact OD2-NH2 3.25Å; L96-R98 PolarHBondContact O-N 2.85Å |
| 99 | F | 56.6 | Low | 66.4 | Low | 163 Ų | 163 | 79.4 Ų | 79.4 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -122.6 | 108.6 | 177.6 | -63.1 | -81.6 | 0 | 0 | 0 | 109.1 | P97 G101 | P97-F99 VanDerWaalsContact C-N 3.27Å; P97-F99 PolarHBondContact O-N 3.28Å; F99-G101 PolarHBondContact O-N 3.45Å; F99-G101 VanDerWaalsContact O-N 3.14Å |
| 100 | L | 55.3 | Low | 65.8 | Low | 57 Ų | 57 | 80.5 Ų | 80.5 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | trans | -74.5 | 101.3 | 168.2 | -62.4 | 177 | 0 | 0 | 0 | 107.3 | P97 A109 A112 T113 Y181 | P97-L100 HydrophobicContact CG-CD2 3.88Å; L100-A109 HydrophobicContact CD1-CB 4.17Å; L100-A109 HydrophobicContact CD2-CB 3.54Å; L100-A109 HydrophobicContact CG-CB 4.4Å; L100-A112 HydrophobicContact CD2-CB 4.47Å; L100-T113 WeakPolarHBondContact CD1-OG1 3.25Å; L100-Y181 HydrophobicContact CD1-CE2 4.22Å | ||
| 101 | G | 52.4 | Low | 65.6 | Low | 42 Ų | 42 | 83 Ų | 83 | 43% | 0.433 | 45% | 0.453 | S | S | . | . | trans | -64.1 | 157.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F99 N103 S104 | F99-G101 PolarHBondContact O-N 3.45Å; F99-G101 VanDerWaalsContact O-N 3.14Å; G101-N103 PolarHBondContact O-N 3.05Å; G101-S104 WeakPolarHBondContact O-CB 3.29Å; G101-S104 PolarHBondContact O-N 3.43Å | ||
| 102 | V | 52.9 | Low | 65.3 | Low | 64 Ų | 64 | 83 Ų | 83 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -25 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | L188 | V102-L188 HydrophobicContact CB-CD2 4.43Å; V102-L188 HydrophobicContact CG1-CD2 3.51Å; V102-L188 HydrophobicContact CG1-CG 4.48Å; V102-L188 HydrophobicContact CG2-CD2 4.22Å |
| 103 | N | 47.9 | Very low | 64.5 | Low | 153 Ų | 153 | 79.3 Ų | 79.3 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.9 | 179.5 | -72.3 | -14.5 | 0 | 0 | 0 | 114.7 | G101 R105 | G101-N103 PolarHBondContact O-N 3.05Å; N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 2.91Å |
| 104 | S | 54.7 | Low | 64.1 | Low | 45 Ų | 45 | 78.2 Ų | 78.2 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | trans | -80.2 | 69.1 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | G101 G106 A109 Y181 | G101-S104 WeakPolarHBondContact O-CB 3.29Å; G101-S104 PolarHBondContact O-N 3.43Å; S104-G106 PolarHBondContact O-N 3.44Å; S104-A109 WeakPolarHBondContact O-CB 3.27Å; S104-Y181 PolarHBondContact O-OH 3.47Å | ||
| 105 | R | 59.2 | Low | 63.6 | Low | 144 Ų | 144 | 76.9 Ų | 76.9 | 54% | 0.543 | 42% | 0.416 | S | S | . | . | trans | -81.7 | 6.1 | 173.9 | -70.5 | -175.3 | 172.3 | -167.5 | -9.9 | 114.4 | N103 F189 | N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 2.91Å; R105-F189 VanDerWaalsContact NH1-CD2 3.34Å | ||
| 106 | G | 65.3 | Low | 63.4 | Low | 42 Ų | 42 | 75.2 Ų | 75.2 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -74.6 | 159.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S104 A108 A109 F110 | S104-G106 PolarHBondContact O-N 3.44Å; G106-A108 PolarHBondContact O-N 3.08Å; G106-A108 VanDerWaalsContact O-N 3.08Å; G106-A109 WeakPolarHBondContact O-CB 3.48Å; G106-A109 PolarHBondContact O-N 2.87Å; G106-F110 PolarHBondContact O-N 3.41Å |
| 107 | K | 68.3 | Low | 63.3 | Low | 184 Ų | 184 | 74.1 Ų | 74.1 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -48.9 | -36.5 | 173.9 | -65 | 179.2 | -179.2 | 178 | 0 | 112.4 | A109 F110 I111 | K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.3Å; K107-F110 PolarHBondContact O-N 2.93Å; K107-I111 VanDerWaalsContact O-CG1 3.26Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.32Å |
| 108 | A | 67.8 | Low | 63.2 | Low | 51 Ų | 51 | 73 Ų | 73 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G106 A112 | G106-A108 PolarHBondContact O-N 3.08Å; G106-A108 VanDerWaalsContact O-N 3.08Å; A108-A112 WeakPolarHBondContact O-CB 3.19Å; A108-A112 PolarHBondContact O-N 3.44Å |
| 109 | A | 67.4 | Low | 63.3 | Low | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L100 S104 G106 K107 T113 Y181 | L100-A109 HydrophobicContact CD1-CB 4.17Å; L100-A109 HydrophobicContact CD2-CB 3.54Å; L100-A109 HydrophobicContact CG-CB 4.4Å; S104-A109 WeakPolarHBondContact O-CB 3.27Å; G106-A109 WeakPolarHBondContact O-CB 3.48Å; G106-A109 PolarHBondContact O-N 2.87Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.3Å; A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 PolarHBondContact O-N 3.36Å; A109-T113 PolarHBondContact O-OG1 3.23Å; A109-Y181 WeakPolarHBondContact CB-OH 3.32Å |
| 110 | F | 69.9 | Low | 63.7 | Low | 89 Ų | 89 | 61.6 Ų | 61.6 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 174.3 | -174.6 | -94.5 | 0 | 0 | 0 | 111.4 | G106 K107 T113 F114 L178 L182 | G106-F110 PolarHBondContact O-N 3.41Å; K107-F110 PolarHBondContact O-N 2.93Å; F110-T113 PolarHBondContact O-N 3.12Å; F110-F114 WeakPolarHBondContact O-CB 3.13Å; F110-F114 PolarHBondContact O-N 2.83Å; F110-L178 HydrophobicContact CD2-CD2 4.48Å; F110-L178 HydrophobicContact CE2-CD2 3.99Å; F110-L178 HydrophobicContact CZ-CD2 4.18Å; F110-L182 HydrophobicContact CE2-CD2 4.44Å |
| 111 | I | 72.3 | Confident | 64.3 | Low | 88 Ų | 88 | 59.1 Ų | 59.1 | 45% | 0.451 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.2 | -67.2 | 164.8 | 0 | 0 | 0 | 110.5 | K107 T113 F114 L115 | K107-I111 VanDerWaalsContact O-CG1 3.26Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.32Å; I111-T113 PolarHBondContact O-N 2.73Å; I111-F114 PolarHBondContact O-N 3.26Å; I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 HydrophobicContact CG2-CG 4.33Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.17Å; I111-L115 PolarHBondContact O-N 3.41Å |
| 112 | A | 69.4 | Low | 64.9 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.3 | -51.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L96 L100 A108 F114 L115 F116 | L96-A112 HydrophobicContact CD1-CB 4.28Å; L96-A112 HydrophobicContact CD2-CB 4.41Å; L100-A112 HydrophobicContact CD2-CB 4.47Å; A108-A112 WeakPolarHBondContact O-CB 3.19Å; A108-A112 PolarHBondContact O-N 3.44Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.97Å; A112-L115 PolarHBondContact O-N 3.12Å; A112-F116 VanDerWaalsContact C-CD2 3.48Å; A112-F116 HydrophobicContact CB-CD2 3.98Å; A112-F116 HydrophobicContact CB-CE2 3.87Å; A112-F116 WeakPolarHBondContact O-CB 3.41Å; A112-F116 WeakPolarHBondContact O-CD2 3.43Å; A112-F116 WeakPolarHBondContact O-CG 3.42Å; A112-F116 PolarHBondContact O-N 3.31Å |
| 113 | T | 68.3 | Low | 65.8 | Low | 15 Ų | 15 | 56.2 Ų | 56.2 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | L100 A109 F110 I111 S117 L178 Y181 | L100-T113 WeakPolarHBondContact CD1-OG1 3.25Å; A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 PolarHBondContact O-N 3.36Å; A109-T113 PolarHBondContact O-OG1 3.23Å; F110-T113 PolarHBondContact O-N 3.12Å; I111-T113 PolarHBondContact O-N 2.73Å; T113-S117 WeakPolarHBondContact O-CA 3.24Å; T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 2.92Å; T113-S117 PolarHBondContact O-OG 3.27Å; T113-L178 HydrophobicContact CG2-CD2 4.03Å; T113-Y181 HydrophobicContact CG2-CD1 4.26Å; T113-Y181 HydrophobicContact CG2-CD2 4.2Å; T113-Y181 HydrophobicContact CG2-CG 3.86Å |
| 114 | F | 73 | Confident | 66.9 | Low | 106 Ų | 106 | 50.5 Ų | 50.5 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -50 | 176.4 | -179.4 | -90.4 | 0 | 0 | 0 | 111.5 | F110 I111 A112 S117 G118 V174 L178 | F110-F114 WeakPolarHBondContact O-CB 3.13Å; F110-F114 PolarHBondContact O-N 2.83Å; I111-F114 PolarHBondContact O-N 3.26Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.97Å; F114-S117 PolarHBondContact O-N 3.4Å; F114-G118 PolarHBondContact O-N 2.97Å; F114-G118 VanDerWaalsContact O-N 3.08Å; F114-V174 HydrophobicContact CD2-CG1 4.02Å; F114-V174 HydrophobicContact CE2-CG1 3.93Å; F114-L178 HydrophobicContact CB-CD2 4.21Å; F114-L178 HydrophobicContact CD2-CD1 3.76Å; F114-L178 HydrophobicContact CE2-CD1 4.38Å |
| 115 | L | 70.2 | Confident | 67.6 | Low | 59 Ų | 59 | 48.7 Ų | 48.7 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.2 | -48.2 | -179.4 | -69.7 | 170.8 | 0 | 0 | 0 | 111.5 | L94 L96 I111 A112 S117 G118 R119 | L94-L115 HydrophobicContact CD1-CD1 3.8Å; L96-L115 HydrophobicContact CD1-CD1 3.84Å; I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 HydrophobicContact CG2-CG 4.33Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.17Å; I111-L115 PolarHBondContact O-N 3.41Å; A112-L115 PolarHBondContact O-N 3.12Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; L115-G118 PolarHBondContact O-N 3.45Å; L115-R119 WeakPolarHBondContact O-CD 3.33Å; L115-R119 PolarHBondContact O-NE 2.88Å; L115-R119 VanDerWaalsContact O-NE 3.17Å |
| 116 | F | 69.1 | Low | 68.1 | Low | 37 Ų | 37 | 42.3 Ų | 42.3 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -36 | 173.8 | -68.8 | -58.3 | 0 | 0 | 0 | 111.8 | D87 L90 A91 A112 G118 R119 | D87-F116 HydrophobicContact CB-CD1 4.17Å; D87-F116 HydrophobicContact CB-CE1 4.13Å; D87-F116 VanDerWaalsContact O-CE1 3.3Å; D87-F116 WeakPolarHBondContact O-CE1 3.4Å; D87-F116 WeakPolarHBondContact OD1-CD1 3.47Å; L90-F116 HydrophobicContact CB-CE1 4.03Å; A91-F116 HydrophobicContact CB-CZ 3.98Å; A112-F116 VanDerWaalsContact C-CD2 3.48Å; A112-F116 HydrophobicContact CB-CD2 3.98Å; A112-F116 HydrophobicContact CB-CE2 3.87Å; A112-F116 WeakPolarHBondContact O-CB 3.41Å; A112-F116 WeakPolarHBondContact O-CD2 3.43Å; A112-F116 WeakPolarHBondContact O-CG 3.42Å; A112-F116 PolarHBondContact O-N 3.31Å; F116-G118 PolarHBondContact O-N 3.14Å; F116-R119 PolarHBondContact O-N 2.84Å |
| 117 | S | 67.1 | Low | 68.4 | Low | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | 178.8 | -67 | 0 | 0 | 0 | 0 | 113.1 | T113 F114 L115 R119 R177 | T113-S117 WeakPolarHBondContact O-CA 3.24Å; T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 2.92Å; T113-S117 PolarHBondContact O-OG 3.27Å; F114-S117 PolarHBondContact O-N 3.4Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; S117-R119 VanDerWaalsContact C-N 3.27Å; S117-R119 PolarHBondContact O-N 3.25Å; S117-R177 VanDerWaalsContact O-CZ 3.24Å; S117-R177 PolarHBondContact O-NE 3.49Å; S117-R177 PolarHBondContact O-NH2 3.24Å; S117-R177 VanDerWaalsContact OG-CB 3.26Å; S117-R177 WeakPolarHBondContact OG-CB 3.34Å |
| 118 | G | 62.2 | Low | 68.6 | Low | 36 Ų | 36 | 33.1 Ų | 33.1 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F114 L115 F116 S120 | F114-G118 PolarHBondContact O-N 2.97Å; F114-G118 VanDerWaalsContact O-N 3.08Å; L115-G118 PolarHBondContact O-N 3.45Å; F116-G118 PolarHBondContact O-N 3.14Å; G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 3.11Å |
| 119 | R | 59.2 | Low | 68.7 | Low | 55 Ų | 55 | 31.3 Ų | 31.3 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.3 | -21.4 | -171.5 | -68.6 | 138.6 | -176.3 | 175.7 | 1.5 | 114.6 | L90 L94 L115 F116 S117 V121 | L90-R119 VanDerWaalsContact CB-NH1 3.27Å; L90-R119 HydrophobicContact CD1-CG 3.7Å; L90-R119 VanDerWaalsContact CD2-NH2 3.31Å; L94-R119 VanDerWaalsContact CD1-NH2 3.26Å; L115-R119 WeakPolarHBondContact O-CD 3.33Å; L115-R119 PolarHBondContact O-NE 2.88Å; L115-R119 VanDerWaalsContact O-NE 3.17Å; F116-R119 PolarHBondContact O-N 2.84Å; S117-R119 VanDerWaalsContact C-N 3.27Å; S117-R119 PolarHBondContact O-N 3.25Å; R119-V121 PolarHBondContact O-N 3.03Å |
| 120 | S | 65.3 | Low | 68.8 | Low | 16 Ų | 16 | 31.6 Ų | 31.6 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -87.3 | 2.3 | -167.7 | -162.1 | 0 | 0 | 0 | 0 | 114.7 | G118 Q124 | G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 3.11Å; S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.32Å; S120-Q124 PolarHBondContact OG-NE2 3.02Å |
| 121 | V | 67.5 | Low | 68.9 | Low | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.2 | -46.5 | -173.6 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | R119 Q124 L125 V166 L169 A170 Y233 | R119-V121 PolarHBondContact O-N 3.03Å; V121-Q124 PolarHBondContact O-N 3.1Å; V121-L125 PolarHBondContact O-N 3.47Å; V121-V166 HydrophobicContact CG1-CG1 4Å; V121-L169 HydrophobicContact CG1-CB 4.28Å; V121-L169 HydrophobicContact CG1-CG 4.3Å; V121-A170 HydrophobicContact CG2-CB 3.77Å; V121-Y233 HydrophobicContact CG1-CE1 4.04Å |
| 122 | V | 66.4 | Low | 68.9 | Low | 34 Ų | 34 | 23.6 Ų | 23.6 | 21% | 0.206 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | Q124 L125 M126 L151 V166 | V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.17Å; V122-L125 WeakPolarHBondContact O-CB 3.42Å; V122-L125 PolarHBondContact O-N 3.44Å; V122-L125 VanDerWaalsContact O-N 3.15Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.43Å; V122-M126 PolarHBondContact O-N 2.99Å; V122-L151 HydrophobicContact CG1-CB 4.49Å; V122-L151 HydrophobicContact CG1-CD2 4.14Å; V122-L151 HydrophobicContact CG2-CD1 3.79Å; V122-L151 HydrophobicContact CG2-CD2 4.2Å; V122-L151 HydrophobicContact CG2-CG 4.45Å; V122-V166 HydrophobicContact CG2-CG1 3.96Å |
| 123 | L | 70.6 | Confident | 68.6 | Low | 11 Ų | 11 | 24.8 Ų | 24.8 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -36.6 | 178.9 | -66 | 159.9 | 0 | 0 | 0 | 111.6 | L82 D83 L86 M126 L127 | L82-L123 HydrophobicContact CB-CD2 3.65Å; L82-L123 HydrophobicContact CD1-CD2 3.76Å; L82-L123 HydrophobicContact CG-CD2 4.37Å; D83-L123 WeakPolarHBondContact OD1-CD1 3.29Å; L86-L123 HydrophobicContact CD1-CD1 3.41Å; L86-L123 VanDerWaalsContact CD1-CD1 3.41Å; L86-L123 HydrophobicContact CD1-CG 4.43Å; L123-M126 HydrophobicContact CD2-SD 4.34Å; L123-M126 PolarHBondContact O-N 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.39Å |
| 124 | Q | 72.6 | Confident | 68.1 | Low | 33 Ų | 33 | 25.6 Ų | 25.6 | 15% | 0.154 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 172.5 | -76.8 | 168.3 | 15.6 | 0 | 0 | 111.7 | S120 V121 V122 M126 L127 F128 Y233 | S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.32Å; S120-Q124 PolarHBondContact OG-NE2 3.02Å; V121-Q124 PolarHBondContact O-N 3.1Å; V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.17Å; Q124-M126 VanDerWaalsContact C-N 3.33Å; Q124-M126 PolarHBondContact O-N 2.84Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.38Å; Q124-F128 HydrophobicContact CB-CD2 4.3Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 WeakPolarHBondContact O-CD2 3.24Å; Q124-F128 PolarHBondContact O-N 2.92Å; Q124-Y233 HydrophobicContact CB-CE1 4.4Å; Q124-Y233 HydrophobicContact CB-CE2 4.3Å; Q124-Y233 PolarHBondContact OE1-OH 2.87Å |
| 125 | L | 69.6 | Low | 67.1 | Low | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 174.4 | -172 | 62.1 | 0 | 0 | 0 | 111.7 | V121 V122 L127 F128 T129 R150 V166 Y233 | V121-L125 PolarHBondContact O-N 3.47Å; V122-L125 WeakPolarHBondContact O-CB 3.42Å; V122-L125 PolarHBondContact O-N 3.44Å; V122-L125 VanDerWaalsContact O-N 3.15Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.03Å; L125-F128 PolarHBondContact O-N 2.92Å; L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.88Å; L125-R150 HydrophobicContact CD2-CB 4.36Å; L125-V166 HydrophobicContact CD2-CG2 4.12Å; L125-Y233 HydrophobicContact CD1-CD1 4.28Å; L125-Y233 WeakPolarHBondContact CD1-O 3.43Å |
| 126 | M | 68.7 | Low | 66.4 | Low | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 174.6 | -69 | 169.5 | 56.7 | 0 | 0 | 112.8 | T79 L82 V122 L123 Q124 T129 S130 L144 | T79-M126 HydrophobicContact CG2-CB 4.18Å; T79-M126 HydrophobicContact CG2-CE 4.43Å; L82-M126 HydrophobicContact CD1-CE 4.36Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.43Å; V122-M126 PolarHBondContact O-N 2.99Å; L123-M126 HydrophobicContact CD2-SD 4.34Å; L123-M126 PolarHBondContact O-N 3.29Å; Q124-M126 VanDerWaalsContact C-N 3.33Å; Q124-M126 PolarHBondContact O-N 2.84Å; M126-T129 PolarHBondContact O-OG1 3.47Å; M126-S130 PolarHBondContact O-N 2.87Å; M126-S130 PolarHBondContact O-OG 2.88Å; M126-L144 HydrophobicContact CE-CB 4.17Å; M126-L144 HydrophobicContact CE-CD1 3.2Å; M126-L144 HydrophobicContact CE-CG 4.28Å; M126-L144 HydrophobicContact SD-CD1 4.08Å |
| 127 | L | 71.6 | Confident | 65.7 | Low | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 175 | -87.6 | 171.7 | 0 | 0 | 0 | 112.6 | S76 T79 L123 Q124 L125 S130 L131 | S76-L127 VanDerWaalsContact CA-CD2 3.49Å; T79-L127 HydrophobicContact CG2-CD1 4.44Å; T79-L127 HydrophobicContact CG2-CD2 3.9Å; T79-L127 HydrophobicContact CG2-CG 3.59Å; T79-L127 WeakPolarHBondContact OG1-CD1 3Å; T79-L127 WeakPolarHBondContact OG1-CD2 3.15Å; T79-L127 WeakPolarHBondContact OG1-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.39Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.38Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.03Å; L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.33Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CD1 3.16Å; L127-L131 WeakPolarHBondContact O-CG 3.11Å; L127-L131 PolarHBondContact O-N 3.05Å |
| 128 | F | 73.7 | Confident | 65.4 | Low | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -46.8 | -175.7 | -77.2 | -62 | 0 | 0 | 0 | 111 | R35 Q124 L125 S130 L131 F132 Y230 Y233 | R35-F128 HydrophobicContact CG-CE1 4.05Å; Q124-F128 HydrophobicContact CB-CD2 4.3Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 WeakPolarHBondContact O-CD2 3.24Å; Q124-F128 PolarHBondContact O-N 2.92Å; L125-F128 PolarHBondContact O-N 2.92Å; F128-S130 PolarHBondContact O-N 2.91Å; F128-L131 HydrophobicContact CD1-CD1 4.46Å; F128-L131 PolarHBondContact O-N 3.47Å; F128-F132 HydrophobicContact CB-CD2 4.3Å; F128-F132 HydrophobicContact CB-CE2 4.2Å; F128-F132 HydrophobicContact CD1-CD2 4.41Å; F128-F132 AromaticContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CZ 4.45Å; F128-F132 HydrophobicContact CG-CE2 4.36Å; F128-F132 WeakPolarHBondContact O-CD2 3Å; F128-F132 PolarHBondContact O-N 3.33Å; F128-Y230 AromaticContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CE1 4.01Å; F128-Y230 HydrophobicContact CE1-CG 4.23Å; F128-Y230 AromaticContact CE2-CD1 3.65Å; F128-Y230 HydrophobicContact CE2-CD1 3.65Å; F128-Y230 AromaticContact CE2-CE1 3.87Å; F128-Y230 HydrophobicContact CE2-CE1 3.87Å; F128-Y230 AromaticContact CZ-CD1 3.07Å; F128-Y230 HydrophobicContact CZ-CD1 3.07Å; F128-Y230 AromaticContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CG 4.15Å; F128-Y233 AromaticContact CD2-CD2 3.34Å; F128-Y233 HydrophobicContact CD2-CD2 3.34Å; F128-Y233 AromaticContact CD2-CE2 3.92Å; F128-Y233 HydrophobicContact CD2-CE2 3.92Å; F128-Y233 AromaticContact CD2-CG 3.72Å; F128-Y233 HydrophobicContact CD2-CG 3.72Å; F128-Y233 AromaticContact CE2-CD2 3.3Å; F128-Y233 HydrophobicContact CE2-CD2 3.3Å; F128-Y233 AromaticContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CE2 3.5Å; F128-Y233 VanDerWaalsContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CG 4.16Å; F128-Y233 HydrophobicContact CG-CD2 4.34Å; F128-Y233 HydrophobicContact CZ-CD2 4.25Å; F128-Y233 HydrophobicContact CZ-CE2 4.46Å |
| 129 | T | 68.7 | Low | 65.6 | Low | 13 Ų | 13 | 39.6 Ų | 39.6 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -38.8 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | L125 M126 A133 | L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.88Å; M126-T129 PolarHBondContact O-OG1 3.47Å; T129-A133 PolarHBondContact O-N 3.18Å |
| 130 | S | 70.1 | Confident | 66.1 | Low | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -75.4 | -34.6 | 179.9 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | S75 M126 L127 F128 F132 | S75-S130 WeakPolarHBondContact CB-OG 3.39Å; S75-S130 VanDerWaalsContact OG-CB 3.31Å; S75-S130 WeakPolarHBondContact OG-CB 2.91Å; S75-S130 PolarHBondContact OG-OG 2.94Å; M126-S130 PolarHBondContact O-N 2.87Å; M126-S130 PolarHBondContact O-OG 2.88Å; L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.33Å; F128-S130 PolarHBondContact O-N 2.91Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 3.22Å |
| 131 | L | 72 | Confident | 66.6 | Low | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -28.2 | 176.6 | -75.1 | 166.1 | 0 | 0 | 0 | 112.6 | L28 V32 Q36 L127 F128 | L28-L131 HydrophobicContact CD1-CD2 3.83Å; V32-L131 HydrophobicContact CG2-CD2 3.72Å; Q36-L131 PolarHBondContact NE2-O 3Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CD1 3.16Å; L127-L131 WeakPolarHBondContact O-CG 3.11Å; L127-L131 PolarHBondContact O-N 3.05Å; F128-L131 HydrophobicContact CD1-CD1 4.46Å; F128-L131 PolarHBondContact O-N 3.47Å |
| 132 | F | 71.1 | Confident | 66.9 | Low | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -101.5 | -14.1 | -172.4 | -70.4 | -65.7 | 0 | 0 | 0 | 114.8 | R35 Q36 V39 F128 S130 V134 L234 V239 I241 | R35-F132 HydrophobicContact CB-CE1 3.79Å; R35-F132 HydrophobicContact CB-CE2 4.39Å; R35-F132 HydrophobicContact CB-CZ 3.5Å; R35-F132 HydrophobicContact CG-CZ 4.45Å; R35-F132 WeakPolarHBondContact O-CE1 3.37Å; R35-F132 WeakPolarHBondContact O-CZ 3.48Å; Q36-F132 HydrophobicContact CG-CD1 4.38Å; Q36-F132 HydrophobicContact CG-CE1 4.36Å; V39-F132 HydrophobicContact CB-CE1 4.34Å; V39-F132 HydrophobicContact CB-CZ 4.1Å; V39-F132 HydrophobicContact CG1-CE1 4.13Å; V39-F132 HydrophobicContact CG1-CE2 4.01Å; V39-F132 HydrophobicContact CG1-CZ 3.42Å; V39-F132 VanDerWaalsContact CG1-CZ 3.42Å; V39-F132 HydrophobicContact CG2-CD1 4.02Å; V39-F132 HydrophobicContact CG2-CE1 3.31Å; V39-F132 HydrophobicContact CG2-CE2 4.44Å; V39-F132 HydrophobicContact CG2-CZ 3.55Å; F128-F132 HydrophobicContact CB-CD2 4.3Å; F128-F132 HydrophobicContact CB-CE2 4.2Å; F128-F132 HydrophobicContact CD1-CD2 4.41Å; F128-F132 AromaticContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CZ 4.45Å; F128-F132 HydrophobicContact CG-CE2 4.36Å; F128-F132 WeakPolarHBondContact O-CD2 3Å; F128-F132 PolarHBondContact O-N 3.33Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 3.22Å; F132-V134 PolarHBondContact O-N 3.05Å; F132-L234 HydrophobicContact CD1-CD1 4.5Å; F132-L234 HydrophobicContact CD2-CD1 3.64Å; F132-L234 HydrophobicContact CD2-CD2 3.65Å; F132-L234 HydrophobicContact CD2-CG 3.96Å; F132-L234 HydrophobicContact CE1-CD1 4.43Å; F132-L234 HydrophobicContact CE2-CD1 3.58Å; F132-L234 HydrophobicContact CE2-CD2 4.12Å; F132-L234 HydrophobicContact CE2-CG 3.93Å; F132-L234 HydrophobicContact CG-CD1 4.13Å; F132-L234 HydrophobicContact CG-CD2 4.42Å; F132-L234 HydrophobicContact CZ-CD1 3.99Å; F132-V239 HydrophobicContact CB-CG1 3.44Å; F132-V239 VanDerWaalsContact CB-CG1 3.44Å; F132-V239 WeakPolarHBondContact O-CG1 3.31Å; F132-I241 HydrophobicContact CB-CG2 4.14Å; F132-I241 HydrophobicContact CD1-CG2 3.69Å; F132-I241 HydrophobicContact CE1-CG2 4.4Å; F132-I241 HydrophobicContact CG-CG2 4.19Å |
| 133 | A | 63 | Low | 67.1 | Low | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 27% | 0.265 | C | S | . | . | trans | -68 | 103.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T129 P138 | T129-A133 PolarHBondContact O-N 3.18Å; A133-P138 HydrophobicContact CB-CG 3.56Å | ||
| 134 | V | 58.9 | Low | 67.3 | Low | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | trans | -91.1 | -23.8 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | F132 I240 D242 V250 | F132-V134 PolarHBondContact O-N 3.05Å; V134-I240 WeakPolarHBondContact CB-O 3.33Å; V134-I240 WeakPolarHBondContact CG2-O 3.4Å; V134-I240 PolarHBondContact N-O 2.91Å; V134-D242 WeakPolarHBondContact CG1-OD1 3.44Å; V134-D242 WeakPolarHBondContact CG2-OD1 3.25Å; V134-V250 HydrophobicContact CB-CG1 4.48Å; V134-V250 HydrophobicContact CG1-CG1 3.65Å | ||
| 135 | R | 52.5 | Low | 67.5 | Low | 187 Ų | 187 | 54.1 Ų | 54.1 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -125.5 | 122.3 | -176.3 | -85.9 | -176.8 | 167.8 | -178.8 | -3.7 | 112 | I240 | R135-I240 HydrophobicContact CB-CD1 4.44Š|
| 136 | G | 54.8 | Low | 67.6 | Low | 60 Ų | 60 | 56.9 Ų | 56.9 | 62% | 0.619 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 80.6 | 114.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P138 | G136-P138 WeakPolarHBondContact O-CD 3.21Š|
| 137 | K | 55.2 | Low | 67.9 | Low | 210 Ų | 210 | 56.5 Ų | 56.5 | 91% | 0.913 | 30% | 0.303 | S | S | * | . | trans | -65.7 | 95.5 | 173 | -66.2 | 173.1 | -178.7 | 173.1 | 0 | 105.8 | G139 | K137-G139 PolarHBondContact O-N 2.8Å; K137-G139 VanDerWaalsContact O-N 3.15Å | ||
| 138 | P | 60.2 | Low | 68.1 | Low | 52 Ų | 52 | 59.7 Ų | 59.7 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | trans | -69.3 | 125.2 | 178.3 | 19 | -3.9 | 0 | 0 | 0 | 104.6 | A133 G136 D142 | A133-P138 HydrophobicContact CB-CG 3.56Å; G136-P138 WeakPolarHBondContact O-CD 3.21Å; P138-D142 HydrophobicContact CB-CB 3.92Å | ||
| 139 | G | 65.1 | Low | 68.1 | Low | 30 Ų | 30 | 61.2 Ų | 61.2 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | trans | -52.1 | 157.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K137 F141 D142 C143 | K137-G139 PolarHBondContact O-N 2.8Å; K137-G139 VanDerWaalsContact O-N 3.15Å; G139-F141 PolarHBondContact O-N 3.21Å; G139-F141 VanDerWaalsContact O-N 3.15Å; G139-D142 PolarHBondContact N-OD2 3.21Å; G139-D142 PolarHBondContact O-N 3.11Å; G139-C143 PolarHBondContact O-N 2.91Å; G139-C143 VanDerWaalsContact O-N 3.08Å | ||
| 140 | I | 71.5 | Confident | 68.3 | Low | 65 Ų | 65 | 61.4 Ų | 61.4 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -52.7 | -37.5 | 171.1 | -59.2 | 166.1 | 0 | 0 | 0 | 109.4 | V78 C143 L144 | V78-I140 HydrophobicContact CB-CG2 4.45Å; V78-I140 HydrophobicContact CG1-CG2 4.5Å; V78-I140 HydrophobicContact CG2-CG2 3.96Å; I140-C143 PolarHBondContact O-N 3.25Å; I140-L144 VanDerWaalsContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 2.81Å |
| 141 | F | 74.1 | Confident | 68.5 | Low | 166 Ų | 166 | 63.4 Ų | 63.4 | 73% | 0.728 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.9 | -34.4 | 175.8 | -64 | -71.5 | 0 | 0 | 0 | 113.8 | G139 L144 S145 | G139-F141 PolarHBondContact O-N 3.21Å; G139-F141 VanDerWaalsContact O-N 3.15Å; F141-L144 PolarHBondContact O-N 3.48Å; F141-S145 WeakPolarHBondContact O-CB 3.28Å; F141-S145 PolarHBondContact O-N 3.45Å |
| 142 | D | 73.8 | Confident | 68.7 | Low | 95 Ų | 95 | 65.5 Ų | 65.5 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 176.2 | -58.7 | -29.1 | 0 | 0 | 0 | 110.5 | P138 G139 L144 S145 E146 | P138-D142 HydrophobicContact CB-CB 3.92Å; G139-D142 PolarHBondContact N-OD2 3.21Å; G139-D142 PolarHBondContact O-N 3.11Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 2.94Å; D142-S145 PolarHBondContact O-N 2.85Å; D142-E146 VanDerWaalsContact O-CB 3.3Å; D142-E146 WeakPolarHBondContact O-CB 3.39Å; D142-E146 PolarHBondContact O-N 3.11Å |
| 143 | C | 71.7 | Confident | 68.8 | Low | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | G139 I140 G147 | G139-C143 PolarHBondContact O-N 2.91Å; G139-C143 VanDerWaalsContact O-N 3.08Å; I140-C143 PolarHBondContact O-N 3.25Å; C143-G147 PolarHBondContact O-N 3.4Å |
| 144 | L | 73.9 | Confident | 69.2 | Low | 50 Ų | 50 | 66.9 Ų | 66.9 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 175.9 | 176.2 | 68.7 | 0 | 0 | 0 | 111.4 | M126 I140 F141 D142 G147 L148 | M126-L144 HydrophobicContact CE-CB 4.17Å; M126-L144 HydrophobicContact CE-CD1 3.2Å; M126-L144 HydrophobicContact CE-CG 4.28Å; M126-L144 HydrophobicContact SD-CD1 4.08Å; I140-L144 VanDerWaalsContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 2.81Å; F141-L144 PolarHBondContact O-N 3.48Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 2.94Å; L144-G147 PolarHBondContact O-N 2.96Å; L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.19Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 3.18Å |
| 145 | S | 76.5 | Confident | 69.8 | Low | 75 Ų | 75 | 71.6 Ų | 71.6 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 111 | F141 D142 L148 S149 | F141-S145 WeakPolarHBondContact O-CB 3.28Å; F141-S145 PolarHBondContact O-N 3.45Å; D142-S145 PolarHBondContact O-N 2.85Å; S145-L148 PolarHBondContact O-N 3.46Å; S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.01Å; S145-S149 PolarHBondContact O-OG 3.25Å |
| 146 | E | 72.9 | Confident | 70.7 | Confident | 65 Ų | 65 | 69.2 Ų | 69.2 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 175.1 | 179.9 | 64.8 | -165.8 | 0 | 0 | 112.2 | D142 S149 R150 R163 | D142-E146 VanDerWaalsContact O-CB 3.3Å; D142-E146 WeakPolarHBondContact O-CB 3.39Å; D142-E146 PolarHBondContact O-N 3.11Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-OG 2.91Å; E146-R150 WeakPolarHBondContact O-CD 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å; E146-R150 IonicContact OE1-CZ 3.25Å; E146-R150 VanDerWaalsContact OE1-CZ 3.25Å; E146-R150 IonicContact OE1-NE 2.78Å; E146-R150 PolarHBondContact OE1-NE 3.22Å; E146-R150 IonicContact OE1-NH2 2.84Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å; E146-R163 IonicContact OE1-NH2 3.74Å |
| 147 | G | 73.9 | Confident | 71.2 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C143 L144 L151 | C143-G147 PolarHBondContact O-N 3.4Å; L144-G147 PolarHBondContact O-N 2.96Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å |
| 148 | L | 75.6 | Confident | 71.4 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.5 | -73.6 | 172.8 | 0 | 0 | 0 | 112.1 | L144 S145 R150 L151 S152 | L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.19Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 3.18Å; S145-L148 PolarHBondContact O-N 3.46Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.32Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.93Å; L148-S152 PolarHBondContact O-OG 3.45Å |
| 149 | S | 75.2 | Confident | 71.1 | Confident | 42 Ų | 42 | 67 Ų | 67 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 179.3 | 70.9 | 0 | 0 | 0 | 0 | 110.7 | S145 E146 S152 A153 | S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.01Å; S145-S149 PolarHBondContact O-OG 3.25Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-OG 2.91Å; S149-S152 WeakPolarHBondContact CA-OG 3.33Å; S149-S152 PolarHBondContact O-N 3.35Å; S149-S152 PolarHBondContact O-OG 3.49Å; S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.1Å |
| 150 | R | 72.2 | Confident | 70.8 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 6% | 0.064 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 173.2 | -70.5 | 174.1 | -173.4 | -158.5 | 3.1 | 112.4 | L125 E146 L148 S152 A153 D154 S237 | L125-R150 HydrophobicContact CD2-CB 4.36Å; E146-R150 WeakPolarHBondContact O-CD 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å; E146-R150 IonicContact OE1-CZ 3.25Å; E146-R150 VanDerWaalsContact OE1-CZ 3.25Å; E146-R150 IonicContact OE1-NE 2.78Å; E146-R150 PolarHBondContact OE1-NE 3.22Å; E146-R150 IonicContact OE1-NH2 2.84Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.32Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 2.73Å; R150-A153 PolarHBondContact O-N 3.46Å; R150-D154 PolarHBondContact O-N 3.17Å; R150-S237 VanDerWaalsContact CZ-OG 3.24Å; R150-S237 PolarHBondContact NH1-OG 2.64Å; R150-S237 VanDerWaalsContact NH2-CB 3.26Å; R150-S237 PolarHBondContact NH2-OG 3.35Å |
| 151 | L | 74.6 | Confident | 70.2 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.6 | 179.6 | 62.9 | 0 | 0 | 0 | 111 | V122 G147 L148 D154 L155 | V122-L151 HydrophobicContact CG1-CB 4.49Å; V122-L151 HydrophobicContact CG1-CD2 4.14Å; V122-L151 HydrophobicContact CG2-CD1 3.79Å; V122-L151 HydrophobicContact CG2-CD2 4.2Å; V122-L151 HydrophobicContact CG2-CG 4.45Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å; L148-L151 PolarHBondContact O-N 3.16Å; L151-D154 PolarHBondContact O-N 3.37Å; L151-L155 HydrophobicContact CD1-CD1 3.95Å; L151-L155 HydrophobicContact CD1-CG 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.8Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.33Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.17Å; L151-L155 PolarHBondContact O-N 2.84Å |
| 152 | S | 75.7 | Confident | 69.6 | Low | 53 Ų | 53 | 75 Ų | 75 | 37% | 0.371 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 178.4 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | L148 S149 R150 D154 L155 L156 | L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.93Å; L148-S152 PolarHBondContact O-OG 3.45Å; S149-S152 WeakPolarHBondContact CA-OG 3.33Å; S149-S152 PolarHBondContact O-N 3.35Å; S149-S152 PolarHBondContact O-OG 3.49Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 2.73Å; S152-D154 VanDerWaalsContact C-N 3.35Å; S152-L155 PolarHBondContact O-N 3.33Å; S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 WeakPolarHBondContact O-CD1 3.31Å; S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 2.93Å |
| 153 | A | 73.3 | Confident | 69.2 | Low | 20 Ų | 20 | 74.5 Ų | 74.5 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | S149 R150 G157 Q158 | S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.1Å; R150-A153 PolarHBondContact O-N 3.46Å; A153-G157 PolarHBondContact O-N 3.2Å; A153-G157 VanDerWaalsContact O-N 3.07Å; A153-Q158 PolarHBondContact O-N 2.73Å |
| 154 | D | 72.1 | Confident | 68.8 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 19% | 0.187 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 177.3 | -71.2 | -2.6 | 0 | 0 | 0 | 112.4 | R150 L151 S152 V166 | R150-D154 PolarHBondContact O-N 3.17Å; L151-D154 PolarHBondContact O-N 3.37Å; S152-D154 VanDerWaalsContact C-N 3.35Å; D154-V166 VanDerWaalsContact OD2-CB 3.28Å; D154-V166 WeakPolarHBondContact OD2-CB 3.35Å; D154-V166 WeakPolarHBondContact OD2-CG2 3.47Å; D154-V166 PolarHBondContact OD2-N 3.42Å |
| 155 | L | 70.2 | Confident | 68.4 | Low | 132 Ų | 132 | 76.8 Ų | 76.8 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.9 | -35.7 | 176.6 | -75.7 | 169.5 | 0 | 0 | 0 | 112.7 | L151 S152 G157 | L151-L155 HydrophobicContact CD1-CD1 3.95Å; L151-L155 HydrophobicContact CD1-CG 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.8Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.33Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.17Å; L151-L155 PolarHBondContact O-N 2.84Å; S152-L155 PolarHBondContact O-N 3.33Å; L155-G157 VanDerWaalsContact C-N 3.33Å |
| 156 | L | 72.5 | Confident | 68.1 | Low | 136 Ų | 136 | 73.9 Ų | 73.9 | 71% | 0.712 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.1 | -179 | -65.8 | 167.3 | 0 | 0 | 0 | 113 | S152 Q158 | S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 WeakPolarHBondContact O-CD1 3.31Å; S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 2.93Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.34Å |
| 157 | G | 65.4 | Low | 67.8 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 12.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A153 L155 C159 | A153-G157 PolarHBondContact O-N 3.2Å; A153-G157 VanDerWaalsContact O-N 3.07Å; L155-G157 VanDerWaalsContact C-N 3.33Å; G157-C159 VanDerWaalsContact C-N 3.28Å; G157-C159 PolarHBondContact O-N 3.46Å |
| 158 | Q | 58.4 | Low | 67.7 | Low | 151 Ų | 151 | 81.1 Ų | 81.1 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | trans | -82.8 | 76.4 | 171.8 | -76.5 | -177 | -13.8 | 0 | 0 | 109.6 | A153 L156 D160 | A153-Q158 PolarHBondContact O-N 2.73Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.34Å; Q158-D160 PolarHBondContact O-N 3.17Å | ||
| 159 | C | 54.9 | Low | 67.8 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | trans | -82.2 | 104.7 | 178.8 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | G157 S161 N165 | G157-C159 VanDerWaalsContact C-N 3.28Å; G157-C159 PolarHBondContact O-N 3.46Å; C159-S161 PolarHBondContact O-N 3.45Å; C159-N165 PolarHBondContact SG-OD1 3.29Å; C159-N165 VanDerWaalsContact SG-OD1 3.38Å | ||
| 160 | D | 59.2 | Low | 67.8 | Low | 111 Ų | 111 | 76.4 Ų | 76.4 | 59% | 0.594 | 42% | 0.416 | S | S | * | . | trans | -68.3 | 123.6 | 159.6 | -87.2 | -23.2 | 0 | 0 | 0 | 108.8 | Q158 R162 R163 | Q158-D160 PolarHBondContact O-N 3.17Å; D160-R162 PolarHBondContact O-N 3.17Å; D160-R163 PolarHBondContact O-N 3.43Å | ||
| 161 | S | 57.5 | Low | 68 | Low | 129 Ų | 129 | 81.1 Ų | 81.1 | 90% | 0.902 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -7.8 | -175.6 | -43.7 | 0 | 0 | 0 | 0 | 115.5 | C159 | C159-S161 PolarHBondContact O-N 3.45Š|
| 162 | R | 61.8 | Low | 68.2 | Low | 189 Ų | 189 | 79.3 Ų | 79.3 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -12.6 | -179.4 | -64.7 | -175.9 | -178 | -167.7 | 1.7 | 113.7 | D160 | D160-R162 PolarHBondContact O-N 3.17Š|
| 163 | R | 64.9 | Low | 68.2 | Low | 86 Ų | 86 | 76.8 Ų | 76.8 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -109.5 | 141.9 | -175.1 | -72.1 | 169.5 | 177.2 | -174.3 | -2.5 | 110.2 | E146 D160 G236 | E146-R163 IonicContact OE1-NH2 3.74Å; D160-R163 PolarHBondContact O-N 3.43Å; R163-G236 PolarHBondContact NE-O 2.63Å; R163-G236 PolarHBondContact NH2-O 2.91Å |
| 164 | F | 64.6 | Low | 68.4 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | trans | -79.1 | 132.4 | 168.3 | -82 | -72.1 | 0 | 0 | 0 | 109.7 | V166 Y168 L232 Q235 Y257 Q258 | F164-V166 PolarHBondContact O-N 3.46Å; F164-Y168 AromaticContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CE1 4.17Å; F164-Y168 HydrophobicContact CD1-CG 4.5Å; F164-Y168 AromaticContact CE1-CD1 3.97Å; F164-Y168 HydrophobicContact CE1-CD1 3.97Å; F164-Y168 AromaticContact CE1-CE1 3.96Å; F164-Y168 HydrophobicContact CE1-CE1 3.96Å; F164-L232 HydrophobicContact CD2-CD2 3.97Å; F164-L232 HydrophobicContact CE2-CD2 3.43Å; F164-L232 VanDerWaalsContact CE2-CD2 3.43Å; F164-L232 HydrophobicContact CZ-CD2 4.02Å; F164-Q235 HydrophobicContact CD2-CB 4.32Å; F164-Q235 HydrophobicContact CD2-CG 4.29Å; F164-Q235 VanDerWaalsContact CE2-OE1 3.23Å; F164-Y257 WeakPolarHBondContact CE2-O 3.27Å; F164-Y257 WeakPolarHBondContact CZ-O 3.32Å; F164-Q258 WeakPolarHBondContact CE1-O 3.38Å | ||
| 165 | N | 65.5 | Low | 68.7 | Low | 69 Ų | 69 | 79.2 Ų | 79.2 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | trans | -53.3 | 128.2 | 167.9 | -67.2 | -4.3 | 0 | 0 | 0 | 109.1 | C159 C167 Y168 L169 | C159-N165 PolarHBondContact SG-OD1 3.29Å; C159-N165 VanDerWaalsContact SG-OD1 3.38Å; N165-C167 PolarHBondContact O-N 2.65Å; N165-Y168 WeakPolarHBondContact O-CA 3.26Å; N165-Y168 WeakPolarHBondContact O-CB 3.14Å; N165-Y168 PolarHBondContact O-N 2.75Å; N165-L169 PolarHBondContact O-N 2.81Å | ||
| 166 | V | 69.6 | Low | 69.2 | Low | 14 Ų | 14 | 74 Ų | 74 | 9% | 0.085 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -52.4 | -32.2 | 178.2 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | V121 V122 L125 D154 F164 L169 A170 | V121-V166 HydrophobicContact CG1-CG1 4Å; V122-V166 HydrophobicContact CG2-CG1 3.96Å; L125-V166 HydrophobicContact CD2-CG2 4.12Å; D154-V166 VanDerWaalsContact OD2-CB 3.28Å; D154-V166 WeakPolarHBondContact OD2-CB 3.35Å; D154-V166 WeakPolarHBondContact OD2-CG2 3.47Å; D154-V166 PolarHBondContact OD2-N 3.42Å; F164-V166 PolarHBondContact O-N 3.46Å; V166-L169 CarbonylContact O-C 3.57Å; V166-L169 WeakPolarHBondContact O-CB 3.39Å; V166-L169 PolarHBondContact O-N 2.86Å; V166-A170 PolarHBondContact O-N 3.42Å |
| 167 | C | 66.3 | Low | 69.3 | Low | 102 Ų | 102 | 69.4 Ų | 69.4 | 69% | 0.689 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | N165 L169 A170 | N165-C167 PolarHBondContact O-N 2.65Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 2.81Å; C167-A170 WeakPolarHBondContact O-CB 3.32Å; C167-A170 PolarHBondContact O-N 3.11Å |
| 168 | Y | 72.9 | Confident | 69.8 | Low | 116 Ų | 116 | 67.5 Ų | 67.5 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 176 | -169.7 | -98.5 | 0 | 0 | 0 | 111.1 | F164 N165 A170 P172 V260 | F164-Y168 AromaticContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CE1 4.17Å; F164-Y168 HydrophobicContact CD1-CG 4.5Å; F164-Y168 AromaticContact CE1-CD1 3.97Å; F164-Y168 HydrophobicContact CE1-CD1 3.97Å; F164-Y168 AromaticContact CE1-CE1 3.96Å; F164-Y168 HydrophobicContact CE1-CE1 3.96Å; N165-Y168 WeakPolarHBondContact O-CA 3.26Å; N165-Y168 WeakPolarHBondContact O-CB 3.14Å; N165-Y168 PolarHBondContact O-N 2.75Å; Y168-A170 VanDerWaalsContact C-N 3.3Å; Y168-P172 WeakPolarHBondContact O-CD 3.14Å; Y168-V260 HydrophobicContact CE1-CG2 4.1Å |
| 169 | L | 76.7 | Confident | 70.6 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.4 | -21.4 | 176 | -164.9 | 52.6 | 0 | 0 | 0 | 113.1 | V121 N165 V166 C167 L171 P172 S173 L232 Y233 | V121-L169 HydrophobicContact CG1-CB 4.28Å; V121-L169 HydrophobicContact CG1-CG 4.3Å; N165-L169 PolarHBondContact O-N 2.81Å; V166-L169 CarbonylContact O-C 3.57Å; V166-L169 WeakPolarHBondContact O-CB 3.39Å; V166-L169 PolarHBondContact O-N 2.86Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 2.81Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.06Å; L169-P172 WeakPolarHBondContact O-CD 3.36Å; L169-S173 WeakPolarHBondContact O-CB 2.99Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 2.96Å; L169-L232 HydrophobicContact CD1-CB 3.51Å; L169-L232 HydrophobicContact CD1-CD1 4.24Å; L169-Y233 HydrophobicContact CD1-CD1 4.37Å; L169-Y233 HydrophobicContact CD1-CE1 4.29Å; L169-Y233 HydrophobicContact CD2-CD1 3.16Å; L169-Y233 HydrophobicContact CD2-CE1 3.45Å; L169-Y233 VanDerWaalsContact CD2-CE1 3.45Å; L169-Y233 HydrophobicContact CD2-CG 4.1Å; L169-Y233 HydrophobicContact CG-CD1 3.84Å; L169-Y233 HydrophobicContact CG-CE1 3.61Å |
| 170 | A | 74.6 | Confident | 71.6 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 21% | 0.207 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V121 V166 C167 Y168 S173 V174 | V121-A170 HydrophobicContact CG2-CB 3.77Å; V166-A170 PolarHBondContact O-N 3.42Å; C167-A170 WeakPolarHBondContact O-CB 3.32Å; C167-A170 PolarHBondContact O-N 3.11Å; Y168-A170 VanDerWaalsContact C-N 3.3Å; A170-S173 WeakPolarHBondContact O-CB 3.42Å; A170-S173 PolarHBondContact O-N 2.66Å; A170-V174 WeakPolarHBondContact O-CB 3.29Å; A170-V174 VanDerWaalsContact O-CG2 3.25Å; A170-V174 WeakPolarHBondContact O-CG2 3.42Å; A170-V174 PolarHBondContact O-N 3.42Å |
| 171 | L | 76.9 | Confident | 72.2 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -54.4 | -177.1 | 176.7 | 71.7 | 0 | 0 | 0 | 112.5 | L169 S173 V174 L175 | L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.06Å; L171-S173 PolarHBondContact O-N 3.03Å; L171-V174 PolarHBondContact O-N 3.49Å; L171-L175 HydrophobicContact CD1-CD1 4.16Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CG-CD1 4.08Å; L171-L175 WeakPolarHBondContact O-CB 3.12Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.25Å |
| 172 | P | 78.4 | Confident | 73.1 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -35.9 | 175.2 | -28 | 36.7 | 0 | 0 | 0 | 113.5 | Y168 L169 H176 V229 V260 | Y168-P172 WeakPolarHBondContact O-CD 3.14Å; L169-P172 WeakPolarHBondContact O-CD 3.36Å; P172-H176 VanDerWaalsContact O-CB 3.25Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 2.84Å; P172-V229 HydrophobicContact CB-CG2 3.75Å; P172-V260 HydrophobicContact CB-CG2 4.47Å; P172-V260 HydrophobicContact CG-CG2 3.44Å; P172-V260 VanDerWaalsContact CG-CG2 3.44Å |
| 173 | S | 76.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -44.8 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | L169 A170 L171 R177 Y233 | L169-S173 WeakPolarHBondContact O-CB 2.99Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 2.96Å; A170-S173 WeakPolarHBondContact O-CB 3.42Å; A170-S173 PolarHBondContact O-N 2.66Å; L171-S173 PolarHBondContact O-N 3.03Å; S173-R177 WeakPolarHBondContact O-CG 3.42Å; S173-R177 PolarHBondContact O-N 2.9Å; S173-R177 PolarHBondContact O-NH1 2.93Å; S173-Y233 VanDerWaalsContact CB-OH 3.3Å; S173-Y233 WeakPolarHBondContact CB-OH 2.93Å; S173-Y233 PolarHBondContact OG-OH 2.98Å |
| 174 | V | 77 | Confident | 74.1 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | F114 A170 L171 H176 R177 L178 | F114-V174 HydrophobicContact CD2-CG1 4.02Å; F114-V174 HydrophobicContact CE2-CG1 3.93Å; A170-V174 WeakPolarHBondContact O-CB 3.29Å; A170-V174 VanDerWaalsContact O-CG2 3.25Å; A170-V174 WeakPolarHBondContact O-CG2 3.42Å; A170-V174 PolarHBondContact O-N 3.42Å; L171-V174 PolarHBondContact O-N 3.49Å; V174-H176 PolarHBondContact O-N 3.47Å; V174-R177 PolarHBondContact O-N 2.95Å; V174-L178 HydrophobicContact CG1-CD1 3.59Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.28Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.04Å |
| 175 | L | 79 | Confident | 74.4 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 176.5 | -71 | 174.2 | 0 | 0 | 0 | 111.2 | L171 R177 L178 S179 | L171-L175 HydrophobicContact CD1-CD1 4.16Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CG-CD1 4.08Å; L171-L175 WeakPolarHBondContact O-CB 3.12Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.25Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.88Å; L175-L178 PolarHBondContact O-N 3.39Å; L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 2.97Å |
| 176 | H | 79.4 | Confident | 74.7 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 177.2 | -179 | 71.1 | 0 | 0 | 0 | 112.4 | P172 V174 N180 V225 | P172-H176 VanDerWaalsContact O-CB 3.25Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 2.84Å; V174-H176 PolarHBondContact O-N 3.47Å; H176-N180 PolarHBondContact CD2-ND2 2.87Å; H176-N180 PolarHBondContact CE1-ND2 3.49Å; H176-N180 VanDerWaalsContact CE1-ND2 3.33Å; H176-N180 PolarHBondContact NE2-ND2 3.44Å; H176-N180 VanDerWaalsContact NE2-ND2 3.16Å; H176-N180 PolarHBondContact O-N 3.45Å; H176-N180 PolarHBondContact O-ND2 2.67Å; H176-V225 HydrophobicContact CB-CG1 4.06Å |
| 177 | R | 74.7 | Confident | 74.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 15% | 0.151 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 178.1 | -78.8 | -175.3 | -86.4 | -78.7 | 20.5 | 112.9 | S117 S173 V174 L175 N180 Y181 | S117-R177 VanDerWaalsContact O-CZ 3.24Å; S117-R177 PolarHBondContact O-NE 3.49Å; S117-R177 PolarHBondContact O-NH2 3.24Å; S117-R177 VanDerWaalsContact OG-CB 3.26Å; S117-R177 WeakPolarHBondContact OG-CB 3.34Å; S173-R177 WeakPolarHBondContact O-CG 3.42Å; S173-R177 PolarHBondContact O-N 2.9Å; S173-R177 PolarHBondContact O-NH1 2.93Å; V174-R177 PolarHBondContact O-N 2.95Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.88Å; R177-N180 PolarHBondContact O-N 2.75Å; R177-Y181 PolarHBondContact O-N 3.43Å |
| 178 | L | 76.7 | Confident | 74.8 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.8 | -70.5 | 168.8 | 0 | 0 | 0 | 111.4 | F110 T113 F114 V174 L175 N180 Y181 L182 | F110-L178 HydrophobicContact CD2-CD2 4.48Å; F110-L178 HydrophobicContact CE2-CD2 3.99Å; F110-L178 HydrophobicContact CZ-CD2 4.18Å; T113-L178 HydrophobicContact CG2-CD2 4.03Å; F114-L178 HydrophobicContact CB-CD2 4.21Å; F114-L178 HydrophobicContact CD2-CD1 3.76Å; F114-L178 HydrophobicContact CE2-CD1 4.38Å; V174-L178 HydrophobicContact CG1-CD1 3.59Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.28Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.04Å; L175-L178 PolarHBondContact O-N 3.39Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.27Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.33Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.86Å |
| 179 | S | 75.3 | Confident | 74.7 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | L175 Y181 L182 M183 L222 | L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 2.97Å; S179-Y181 VanDerWaalsContact C-N 3.32Å; S179-Y181 PolarHBondContact O-N 3.1Å; S179-L182 PolarHBondContact O-N 2.9Å; S179-M183 VanDerWaalsContact O-CB 3.31Å; S179-M183 WeakPolarHBondContact O-CB 3.45Å; S179-M183 VanDerWaalsContact O-CG 3.22Å; S179-M183 WeakPolarHBondContact O-CG 3.15Å; S179-M183 PolarHBondContact O-N 3.46Å; S179-L222 VanDerWaalsContact CB-CD2 3.49Å |
| 180 | N | 75 | Confident | 74.2 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.4 | -85.5 | -69.8 | 0 | 0 | 0 | 111.2 | H176 R177 L178 F184 L222 | H176-N180 PolarHBondContact CD2-ND2 2.87Å; H176-N180 PolarHBondContact CE1-ND2 3.49Å; H176-N180 VanDerWaalsContact CE1-ND2 3.33Å; H176-N180 PolarHBondContact NE2-ND2 3.44Å; H176-N180 VanDerWaalsContact NE2-ND2 3.16Å; H176-N180 PolarHBondContact O-N 3.45Å; H176-N180 PolarHBondContact O-ND2 2.67Å; R177-N180 PolarHBondContact O-N 2.75Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.27Å; N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3Å; N180-L222 HydrophobicContact CB-CD1 3.99Å; N180-L222 VanDerWaalsContact CG-CD1 3.44Å; N180-L222 WeakPolarHBondContact OD1-CD1 3.42Å |
| 181 | Y | 72.8 | Confident | 73.9 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.3 | 177.5 | -101.5 | 0 | 0 | 0 | 112.4 | L100 S104 A109 T113 R177 L178 S179 F184 N185 | L100-Y181 HydrophobicContact CD1-CE2 4.22Å; S104-Y181 PolarHBondContact O-OH 3.47Å; A109-Y181 WeakPolarHBondContact CB-OH 3.32Å; T113-Y181 HydrophobicContact CG2-CD1 4.26Å; T113-Y181 HydrophobicContact CG2-CD2 4.2Å; T113-Y181 HydrophobicContact CG2-CG 3.86Å; R177-Y181 PolarHBondContact O-N 3.43Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.33Å; S179-Y181 VanDerWaalsContact C-N 3.32Å; S179-Y181 PolarHBondContact O-N 3.1Å; Y181-F184 PolarHBondContact O-N 2.98Å; Y181-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y181-N185 WeakPolarHBondContact CE2-ND2 2.98Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.33Å; Y181-N185 PolarHBondContact O-ND2 3.1Å; Y181-N185 PolarHBondContact OH-ND2 2.99Å |
| 182 | L | 77.2 | Confident | 73.4 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 40% | 0.403 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 178 | -68.7 | 173.8 | 0 | 0 | 0 | 111.2 | F110 L178 S179 F184 N185 E186 | F110-L182 HydrophobicContact CE2-CD2 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.86Å; S179-L182 PolarHBondContact O-N 2.9Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.17Å; L182-N185 PolarHBondContact O-N 2.99Å; L182-E186 WeakPolarHBondContact O-CG 3.44Å; L182-E186 PolarHBondContact O-N 3.23Å |
| 183 | M | 73 | Confident | 72.8 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 35% | 0.345 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 179.3 | -69.3 | -62.6 | 99.9 | 0 | 0 | 112.2 | S179 E186 A187 A218 L222 | S179-M183 VanDerWaalsContact O-CB 3.31Å; S179-M183 WeakPolarHBondContact O-CB 3.45Å; S179-M183 VanDerWaalsContact O-CG 3.22Å; S179-M183 WeakPolarHBondContact O-CG 3.15Å; S179-M183 PolarHBondContact O-N 3.46Å; M183-E186 PolarHBondContact O-N 2.78Å; M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 3.33Å; M183-A218 HydrophobicContact CB-CB 3.71Å; M183-L222 HydrophobicContact CB-CD1 4.48Å; M183-L222 HydrophobicContact CG-CD1 4.16Å |
| 184 | F | 72.7 | Confident | 72.2 | Confident | 36 Ų | 36 | 57 Ų | 57 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.9 | 178 | -100 | 0 | 0 | 0 | 111.5 | N180 Y181 L182 A187 L188 S214 N215 | N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3Å; Y181-F184 PolarHBondContact O-N 2.98Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.17Å; F184-A187 PolarHBondContact O-N 2.78Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 WeakPolarHBondContact O-CB 3.37Å; F184-L188 PolarHBondContact O-N 3.44Å; F184-S214 WeakPolarHBondContact CD2-OG 3.2Å; F184-S214 VanDerWaalsContact CE2-OG 3.27Å; F184-S214 WeakPolarHBondContact CE2-OG 3.46Å; F184-N215 HydrophobicContact CD2-CB 4.08Å; F184-N215 HydrophobicContact CE2-CB 4.19Å |
| 185 | N | 71.5 | Confident | 71.4 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 178.9 | -76.2 | -28.4 | 0 | 0 | 0 | 112.9 | Y181 L182 F189 | Y181-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y181-N185 WeakPolarHBondContact CE2-ND2 2.98Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.33Å; Y181-N185 PolarHBondContact O-ND2 3.1Å; Y181-N185 PolarHBondContact OH-ND2 2.99Å; L182-N185 PolarHBondContact O-N 2.99Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.45Å |
| 186 | E | 71.2 | Confident | 70.5 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.2 | -72.5 | -57.9 | 150.2 | 0 | 0 | 111.5 | L182 M183 L188 F189 S190 | L182-E186 WeakPolarHBondContact O-CG 3.44Å; L182-E186 PolarHBondContact O-N 3.23Å; M183-E186 PolarHBondContact O-N 2.78Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.16Å; E186-F189 WeakPolarHBondContact O-CB 3.29Å; E186-F189 PolarHBondContact O-N 3.24Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.91Å |
| 187 | A | 69.8 | Low | 69.3 | Low | 11 Ų | 11 | 76 Ų | 76 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | M183 F184 F189 S190 H191 S214 | M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 3.33Å; F184-A187 PolarHBondContact O-N 2.78Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-S190 PolarHBondContact O-N 3.21Å; A187-H191 WeakPolarHBondContact O-CB 3.21Å; A187-H191 PolarHBondContact O-CD2 2.92Å; A187-H191 PolarHBondContact O-N 2.86Å; A187-S214 VanDerWaalsContact CB-CB 3.44Å |
| 188 | L | 69.5 | Low | 68.3 | Low | 25 Ų | 25 | 83.5 Ų | 83.5 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 172.9 | -170.7 | 64.3 | 0 | 0 | 0 | 111.6 | V102 F184 E186 H191 A192 | V102-L188 HydrophobicContact CB-CD2 4.43Å; V102-L188 HydrophobicContact CG1-CD2 3.51Å; V102-L188 HydrophobicContact CG1-CG 4.48Å; V102-L188 HydrophobicContact CG2-CD2 4.22Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 WeakPolarHBondContact O-CB 3.37Å; F184-L188 PolarHBondContact O-N 3.44Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.16Å; L188-H191 PolarHBondContact O-N 3.03Å; L188-A192 WeakPolarHBondContact O-CB 3.12Å; L188-A192 PolarHBondContact O-N 3.27Å |
| 189 | F | 70.7 | Confident | 67.1 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.3 | -170.3 | -121.5 | 0 | 0 | 0 | 112.4 | R105 N185 E186 A187 H191 A192 M193 | R105-F189 VanDerWaalsContact NH1-CD2 3.34Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.45Å; E186-F189 WeakPolarHBondContact O-CB 3.29Å; E186-F189 PolarHBondContact O-N 3.24Å; A187-F189 VanDerWaalsContact C-N 3.35Å; F189-H191 VanDerWaalsContact C-N 3.29Å; F189-H191 PolarHBondContact O-N 3.31Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.18Å; F189-A192 VanDerWaalsContact O-N 3.1Å; F189-M193 PolarHBondContact O-N 2.85Å |
| 190 | S | 66.7 | Low | 65.9 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | E186 A187 A192 M193 L194 | E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.91Å; A187-S190 PolarHBondContact O-N 3.21Å; S190-A192 PolarHBondContact O-N 3.01Å; S190-M193 PolarHBondContact O-N 3.13Å; S190-L194 WeakPolarHBondContact O-CG 3.39Å; S190-L194 PolarHBondContact O-N 3.18Å; S190-L194 VanDerWaalsContact O-N 3.08Å |
| 191 | H | 67.3 | Low | 64.6 | Low | 46 Ų | 46 | 100.2 Ų | 100.2 | 21% | 0.213 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 174.1 | -80.7 | -58.1 | 0 | 0 | 0 | 113.5 | A187 L188 F189 R195 T210 T213 | A187-H191 WeakPolarHBondContact O-CB 3.21Å; A187-H191 PolarHBondContact O-CD2 2.92Å; A187-H191 PolarHBondContact O-N 2.86Å; L188-H191 PolarHBondContact O-N 3.03Å; F189-H191 VanDerWaalsContact C-N 3.29Å; F189-H191 PolarHBondContact O-N 3.31Å; H191-R195 VanDerWaalsContact O-CG 3.29Å; H191-R195 WeakPolarHBondContact O-CG 3.48Å; H191-R195 PolarHBondContact O-N 2.71Å; H191-T210 HydrophobicContact CB-CG2 3.7Å; H191-T213 PolarHBondContact CE1-OG1 3.29Å; H191-T213 VanDerWaalsContact CE1-OG1 3.3Å; H191-T213 PolarHBondContact NE2-OG1 3.43Å |
| 192 | A | 67.6 | Low | 63.6 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L188 F189 S190 R195 | L188-A192 WeakPolarHBondContact O-CB 3.12Å; L188-A192 PolarHBondContact O-N 3.27Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.18Å; F189-A192 VanDerWaalsContact O-N 3.1Å; S190-A192 PolarHBondContact O-N 3.01Å; A192-R195 WeakPolarHBondContact O-CB 3.47Å; A192-R195 PolarHBondContact O-N 3.37Å |
| 193 | M | 65.3 | Low | 62.6 | Low | 136 Ų | 136 | 104.1 Ų | 104.1 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 177.2 | -163 | -169.8 | -158.9 | 0 | 0 | 111.7 | F189 S190 R195 | F189-M193 PolarHBondContact O-N 2.85Å; S190-M193 PolarHBondContact O-N 3.13Å; M193-R195 PolarHBondContact O-N 3.36Å |
| 194 | L | 63.7 | Low | 62 | Low | 136 Ų | 136 | 107 Ų | 107 | 71% | 0.712 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.6 | -15.5 | 177.4 | -69.9 | 169.3 | 0 | 0 | 0 | 113.6 | S190 | S190-L194 WeakPolarHBondContact O-CG 3.39Å; S190-L194 PolarHBondContact O-N 3.18Å; S190-L194 VanDerWaalsContact O-N 3.08Å |
| 195 | R | 61 | Low | 61.6 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 31% | 0.306 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.9 | -176.4 | -84.1 | 172.7 | 173.8 | -152.8 | 5.7 | 116.1 | H191 A192 M193 Y197 R198 P206 T210 | H191-R195 VanDerWaalsContact O-CG 3.29Å; H191-R195 WeakPolarHBondContact O-CG 3.48Å; H191-R195 PolarHBondContact O-N 2.71Å; A192-R195 WeakPolarHBondContact O-CB 3.47Å; A192-R195 PolarHBondContact O-N 3.37Å; M193-R195 PolarHBondContact O-N 3.36Å; R195-Y197 PolarHBondContact O-N 2.98Å; R195-R198 PolarHBondContact O-N 3.44Å; R195-P206 PolarHBondContact NH2-O 3.15Å; R195-T210 VanDerWaalsContact NH2-CG2 3.3Å; R195-T210 PolarHBondContact NH2-OG1 3.39Å |
| 196 | R | 59.4 | Low | 61.4 | Low | 221 Ų | 221 | 107 Ų | 107 | 83% | 0.834 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -0.4 | -169.9 | -143.8 | 170.1 | -176.5 | 167.2 | -0.4 | 115.3 | ||
| 197 | Y | 53.8 | Low | 61.1 | Low | 224 Ų | 224 | 105.1 Ų | 105.1 | 88% | 0.878 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 20.6 | -173 | -79.6 | -81.8 | 0 | 0 | 0 | 116.2 | R195 | R195-Y197 PolarHBondContact O-N 2.98Š|
| 198 | R | 55 | Low | 61.1 | Low | 197 Ų | 197 | 104.9 Ų | 104.9 | 74% | 0.743 | 49% | 0.486 | S | S | * | . | trans | -116.9 | 151 | -175.1 | -107.5 | -172.8 | 158.7 | 123.3 | 0.8 | 116.2 | R195 D202 | R195-R198 PolarHBondContact O-N 3.44Å; R198-D202 HydrophobicContact CB-CB 3.96Å; R198-D202 WeakPolarHBondContact CB-OD2 3.36Å; R198-D202 WeakPolarHBondContact CD-OD2 3.02Å; R198-D202 HydrophobicContact CG-CB 4.34Å; R198-D202 WeakPolarHBondContact CG-OD2 3.14Å; R198-D202 IonicContact NE-OD1 2.89Å; R198-D202 IonicContact NE-OD2 2.97Å | ||
| 199 | S | 49.6 | Very low | 61.3 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | trans | -78.4 | 167 | -162.6 | -174.5 | 0 | 0 | 0 | 0 | 114 | F201 D202 | S199-F201 PolarHBondContact O-N 3.4Å; S199-F201 VanDerWaalsContact O-N 3.07Å; S199-D202 PolarHBondContact N-OD2 3.01Å; S199-D202 WeakPolarHBondContact O-CA 3.42Å; S199-D202 VanDerWaalsContact O-CB 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.44Å; S199-D202 PolarHBondContact O-N 3.43Å | ||
| 200 | K | 50.9 | Low | 61.4 | Low | 189 Ų | 189 | 103.5 Ų | 103.5 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.2 | -171.6 | -75 | -179.6 | 179.8 | 175.6 | 0 | 115.3 | ||
| 201 | F | 47.7 | Very low | 61.7 | Low | 164 Ų | 164 | 100.8 Ų | 100.8 | 72% | 0.719 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.6 | 175.1 | -161.1 | -101.3 | 0 | 0 | 0 | 112.9 | S199 K203 L302 | S199-F201 PolarHBondContact O-N 3.4Å; S199-F201 VanDerWaalsContact O-N 3.07Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.85Å; F201-L302 HydrophobicContact CZ-CD2 3.73Å |
| 202 | D | 52.7 | Low | 62.1 | Low | 56 Ų | 56 | 99 Ų | 99 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -86.4 | 32.5 | 176 | -63.4 | -58.4 | 0 | 0 | 0 | 112.8 | R198 S199 P206 | R198-D202 HydrophobicContact CB-CB 3.96Å; R198-D202 WeakPolarHBondContact CB-OD2 3.36Å; R198-D202 WeakPolarHBondContact CD-OD2 3.02Å; R198-D202 HydrophobicContact CG-CB 4.34Å; R198-D202 WeakPolarHBondContact CG-OD2 3.14Å; R198-D202 IonicContact NE-OD1 2.89Å; R198-D202 IonicContact NE-OD2 2.97Å; S199-D202 PolarHBondContact N-OD2 3.01Å; S199-D202 WeakPolarHBondContact O-CA 3.42Å; S199-D202 VanDerWaalsContact O-CB 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.44Å; S199-D202 PolarHBondContact O-N 3.43Å; D202-P206 VanDerWaalsContact C-CG 3.47Å; D202-P206 HydrophobicContact CB-CG 4.28Å; D202-P206 WeakPolarHBondContact O-CD 3.46Å; D202-P206 WeakPolarHBondContact O-CG 3.38Å |
| 203 | K | 56.3 | Low | 62.6 | Low | 148 Ų | 148 | 98 Ų | 98 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -94 | -52.5 | -179.7 | -75 | -172.5 | 178 | -175.8 | 0 | 113.2 | F201 | F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.85Å |
| 204 | F | 59.5 | Low | 63.2 | Low | 132 Ų | 132 | 91.5 Ų | 91.5 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -78.6 | -53.2 | -172.2 | -175.1 | -98.5 | 0 | 0 | 0 | 113.6 | I9 E207 V208 | I9-F204 HydrophobicContact CD1-CD2 4.37Å; I9-F204 HydrophobicContact CD1-CE2 3.4Å; I9-F204 VanDerWaalsContact CD1-CE2 3.4Å; I9-F204 HydrophobicContact CD1-CZ 3.86Å; I9-F204 HydrophobicContact CG1-CE2 4.16Å; F204-E207 PolarHBondContact O-N 3.42Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F204-V208 HydrophobicContact CE1-CG2 4.42Å; F204-V208 HydrophobicContact CZ-CG2 4.5Å; F204-V208 PolarHBondContact O-N 3.3Å |
| 205 | F | 63.7 | Low | 64 | Low | 42 Ų | 42 | 85.9 Ų | 85.9 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | -174.7 | -173.8 | -100.3 | 0 | 0 | 0 | 114.3 | E207 F209 V294 H295 R298 | F205-E207 PolarHBondContact O-N 3.49Å; F205-F209 HydrophobicContact CE1-CB 4.37Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 3.3Å; F205-V294 HydrophobicContact CE2-CG1 4.06Å; F205-H295 AromaticContact CZ-CD2 3.7Å; F205-H295 AromaticContact CZ-CE1 3.62Å; F205-H295 AromaticContact CZ-NE2 3.36Å; F205-H295 WeakPolarHBondContact CZ-NE2 3.45Å; F205-R298 HydrophobicContact CD2-CG 4.33Å; F205-R298 VanDerWaalsContact CE1-NH1 3.25Å |
| 206 | P | 66.9 | Low | 65.1 | Low | 22 Ų | 22 | 84.7 Ų | 84.7 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.9 | -29.8 | 178.8 | 26.2 | -30.4 | 0 | 0 | 0 | 110 | R195 D202 F209 T210 | R195-P206 PolarHBondContact NH2-O 3.15Å; D202-P206 VanDerWaalsContact C-CG 3.47Å; D202-P206 HydrophobicContact CB-CG 4.28Å; D202-P206 WeakPolarHBondContact O-CD 3.46Å; D202-P206 WeakPolarHBondContact O-CG 3.38Å; P206-F209 CarbonylContact O-C 3.55Å; P206-F209 PolarHBondContact O-N 2.99Å; P206-T210 WeakPolarHBondContact O-CB 3.41Å; P206-T210 VanDerWaalsContact O-CG2 3.25Å; P206-T210 WeakPolarHBondContact O-CG2 3.41Å; P206-T210 PolarHBondContact O-N 3.33Å; P206-T210 PolarHBondContact O-OG1 3.07Å |
| 207 | E | 66.9 | Low | 66.4 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -50.7 | -177.3 | -170 | 171.3 | -170.5 | 0 | 0 | 111.8 | V7 F204 F205 F209 T210 A211 | V7-E207 HydrophobicContact CG1-CG 4.18Å; F204-E207 PolarHBondContact O-N 3.42Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F205-E207 PolarHBondContact O-N 3.49Å; E207-F209 VanDerWaalsContact C-N 3.35Å; E207-F209 PolarHBondContact O-N 2.95Å; E207-T210 PolarHBondContact O-N 3.36Å; E207-T210 PolarHBondContact O-OG1 3.46Å; E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.19Å; E207-A211 PolarHBondContact O-N 3.02Å |
| 208 | V | 68.9 | Low | 67.8 | Low | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | V7 F204 T210 A211 F212 V294 | V7-V208 HydrophobicContact CG1-CG2 4.01Å; F204-V208 HydrophobicContact CE1-CG2 4.42Å; F204-V208 HydrophobicContact CZ-CG2 4.5Å; F204-V208 PolarHBondContact O-N 3.3Å; V208-T210 PolarHBondContact O-N 2.72Å; V208-A211 PolarHBondContact O-N 3.21Å; V208-F212 HydrophobicContact CG1-CD2 3.55Å; V208-F212 HydrophobicContact CG1-CE2 3.37Å; V208-F212 WeakPolarHBondContact O-CD2 3.28Å; V208-F212 PolarHBondContact O-N 3.24Å; V208-V294 HydrophobicContact CG1-CG1 3.77Å; V208-V294 HydrophobicContact CG1-CG2 4.11Å |
| 209 | F | 73.4 | Confident | 69.3 | Low | 79 Ų | 79 | 59.6 Ų | 59.6 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | -178.7 | -176.6 | -99.5 | 0 | 0 | 0 | 113.4 | F205 P206 E207 F212 T213 L291 | F205-F209 HydrophobicContact CE1-CB 4.37Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 3.3Å; P206-F209 CarbonylContact O-C 3.55Å; P206-F209 PolarHBondContact O-N 2.99Å; E207-F209 VanDerWaalsContact C-N 3.35Å; E207-F209 PolarHBondContact O-N 2.95Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 3.41Å; F209-T213 HydrophobicContact CD1-CG2 4.14Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 HydrophobicContact CE2-CG2 4.19Å; F209-T213 HydrophobicContact CZ-CG2 3.72Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.03Å; F209-T213 PolarHBondContact O-OG1 3.18Å; F209-L291 HydrophobicContact CD2-CD1 3.8Å; F209-L291 HydrophobicContact CE2-CD1 4.06Å; F209-L291 HydrophobicContact CE2-CD2 4.4Å |
| 210 | T | 72.5 | Confident | 71.2 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | H191 R195 P206 E207 V208 F212 T213 S214 | H191-T210 HydrophobicContact CB-CG2 3.7Å; R195-T210 VanDerWaalsContact NH2-CG2 3.3Å; R195-T210 PolarHBondContact NH2-OG1 3.39Å; P206-T210 WeakPolarHBondContact O-CB 3.41Å; P206-T210 VanDerWaalsContact O-CG2 3.25Å; P206-T210 WeakPolarHBondContact O-CG2 3.41Å; P206-T210 PolarHBondContact O-N 3.33Å; P206-T210 PolarHBondContact O-OG1 3.07Å; E207-T210 PolarHBondContact O-N 3.36Å; E207-T210 PolarHBondContact O-OG1 3.46Å; V208-T210 PolarHBondContact O-N 2.72Å; T210-F212 VanDerWaalsContact C-N 3.32Å; T210-T213 WeakPolarHBondContact CA-OG1 3.22Å; T210-T213 PolarHBondContact O-OG1 2.99Å; T210-S214 WeakPolarHBondContact O-CB 3.25Å; T210-S214 PolarHBondContact O-N 3.16Å; T210-S214 PolarHBondContact O-OG 3.14Å |
| 211 | A | 73.6 | Confident | 73.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | V7 E207 V208 S214 N215 | V7-A211 HydrophobicContact CG2-CB 4.28Å; E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.19Å; E207-A211 PolarHBondContact O-N 3.02Å; V208-A211 PolarHBondContact O-N 3.21Å; A211-S214 WeakPolarHBondContact CA-OG 3.17Å; A211-S214 PolarHBondContact O-OG 3.46Å; A211-N215 WeakPolarHBondContact O-CB 2.99Å; A211-N215 PolarHBondContact O-N 3.34Å |
| 212 | F | 76.5 | Confident | 75 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -48.3 | 173.7 | -87.1 | -69.9 | 0 | 0 | 0 | 112.2 | V2 F4 V208 F209 T210 N215 L216 Y287 H290 V294 | V2-F212 HydrophobicContact CB-CD1 4.31Å; V2-F212 HydrophobicContact CB-CE1 3.93Å; V2-F212 HydrophobicContact CG1-CD1 4.01Å; V2-F212 HydrophobicContact CG1-CE1 3.71Å; V2-F212 HydrophobicContact CG1-CE2 4.49Å; V2-F212 HydrophobicContact CG1-CZ 3.96Å; V2-F212 HydrophobicContact CG2-CD1 3.74Å; V2-F212 HydrophobicContact CG2-CE1 3.78Å; F4-F212 HydrophobicContact CE1-CE2 4.44Å; F4-F212 HydrophobicContact CE2-CE2 4.46Å; F4-F212 AromaticContact CE2-CZ 3.75Å; F4-F212 HydrophobicContact CE2-CZ 3.75Å; F4-F212 AromaticContact CZ-CE2 3.92Å; F4-F212 HydrophobicContact CZ-CE2 3.92Å; F4-F212 AromaticContact CZ-CZ 3.63Å; F4-F212 HydrophobicContact CZ-CZ 3.63Å; V208-F212 HydrophobicContact CG1-CD2 3.55Å; V208-F212 HydrophobicContact CG1-CE2 3.37Å; V208-F212 WeakPolarHBondContact O-CD2 3.28Å; V208-F212 PolarHBondContact O-N 3.24Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 3.41Å; T210-F212 VanDerWaalsContact C-N 3.32Å; F212-N215 PolarHBondContact O-N 2.81Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 PolarHBondContact O-N 3.4Å; F212-Y287 HydrophobicContact CD1-CD1 4.05Å; F212-Y287 HydrophobicContact CD1-CE1 4.13Å; F212-H290 HydrophobicContact CE1-CB 3.8Å; F212-H290 AromaticContact CE1-ND1 3.85Å; F212-H290 HydrophobicContact CZ-CB 4.17Å; F212-V294 HydrophobicContact CE2-CG2 3.88Å; F212-V294 HydrophobicContact CZ-CG2 4.34Å |
| 213 | T | 78 | Confident | 76.9 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | -179.4 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | H191 F209 T210 L216 L217 | H191-T213 PolarHBondContact CE1-OG1 3.29Å; H191-T213 VanDerWaalsContact CE1-OG1 3.3Å; H191-T213 PolarHBondContact NE2-OG1 3.43Å; F209-T213 HydrophobicContact CD1-CG2 4.14Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 HydrophobicContact CE2-CG2 4.19Å; F209-T213 HydrophobicContact CZ-CG2 3.72Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.03Å; F209-T213 PolarHBondContact O-OG1 3.18Å; T210-T213 WeakPolarHBondContact CA-OG1 3.22Å; T210-T213 PolarHBondContact O-OG1 2.99Å; T213-L216 PolarHBondContact O-N 3.47Å; T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 2.94Å; T213-L217 PolarHBondContact O-N 2.89Å |
| 214 | S | 78.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.5 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | F184 A187 T210 A211 L217 A218 | F184-S214 WeakPolarHBondContact CD2-OG 3.2Å; F184-S214 VanDerWaalsContact CE2-OG 3.27Å; F184-S214 WeakPolarHBondContact CE2-OG 3.46Å; A187-S214 VanDerWaalsContact CB-CB 3.44Å; T210-S214 WeakPolarHBondContact O-CB 3.25Å; T210-S214 PolarHBondContact O-N 3.16Å; T210-S214 PolarHBondContact O-OG 3.14Å; A211-S214 WeakPolarHBondContact CA-OG 3.17Å; A211-S214 PolarHBondContact O-OG 3.46Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-A218 WeakPolarHBondContact O-CB 3.34Å; S214-A218 PolarHBondContact O-N 3.18Å |
| 215 | N | 80.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.1 | -36.6 | 179.8 | -163.7 | 67.8 | 0 | 0 | 0 | 112.2 | V2 F184 A211 F212 E219 Y287 | V2-N215 HydrophobicContact CG2-CB 3.91Å; V2-N215 VanDerWaalsContact CG2-ND2 3.26Å; V2-N215 WeakPolarHBondContact CG2-ND2 3.45Å; F184-N215 HydrophobicContact CD2-CB 4.08Å; F184-N215 HydrophobicContact CE2-CB 4.19Å; A211-N215 WeakPolarHBondContact O-CB 2.99Å; A211-N215 PolarHBondContact O-N 3.34Å; F212-N215 PolarHBondContact O-N 2.81Å; N215-E219 PolarHBondContact ND2-OE1 3.34Å; N215-E219 WeakPolarHBondContact O-CB 3.37Å; N215-E219 WeakPolarHBondContact O-CG 3.24Å; N215-E219 PolarHBondContact O-N 3.46Å; N215-Y287 PolarHBondContact ND2-OH 2.81Å |
| 216 | L | 84.6 | Confident | 81.2 | Confident | 55 Ų | 55 | 31.7 Ų | 31.7 | 29% | 0.288 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 173.2 | 179.4 | 59.4 | 0 | 0 | 0 | 111.2 | F212 T213 E219 A220 L283 Y287 | F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 PolarHBondContact O-N 3.4Å; T213-L216 PolarHBondContact O-N 3.47Å; L216-E219 PolarHBondContact O-N 2.87Å; L216-A220 VanDerWaalsContact O-CB 3.25Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 3.39Å; L216-L283 HydrophobicContact CD1-CG 4.32Å; L216-Y287 HydrophobicContact CB-CD1 3.77Å; L216-Y287 HydrophobicContact CB-CE1 3.64Å; L216-Y287 HydrophobicContact CB-CG 4.43Å; L216-Y287 HydrophobicContact CD1-CD1 4.07Å; L216-Y287 HydrophobicContact CD1-CD2 3.93Å; L216-Y287 HydrophobicContact CD1-CE1 4.29Å; L216-Y287 HydrophobicContact CD1-CE2 4.18Å; L216-Y287 HydrophobicContact CD1-CG 3.85Å; L216-Y287 HydrophobicContact CD2-CD1 4.36Å; L216-Y287 HydrophobicContact CD2-CG 4.49Å; L216-Y287 HydrophobicContact CG-CD1 4.28Å; L216-Y287 HydrophobicContact CG-CE1 4.49Å; L216-Y287 HydrophobicContact CG-CG 4.48Å |
| 217 | L | 85 | Confident | 82.4 | Confident | 93 Ų | 93 | 30.6 Ų | 30.6 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 178.9 | -178.5 | 61 | 0 | 0 | 0 | 111.1 | T213 S214 A220 I221 | T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 2.94Å; T213-L217 PolarHBondContact O-N 2.89Å; S214-L217 PolarHBondContact O-N 3.25Å; L217-A220 PolarHBondContact O-N 3.3Å; L217-I221 HydrophobicContact CD1-CD1 3.98Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.97Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 2.97Å |
| 218 | A | 84.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M183 S214 A220 I221 L222 | M183-A218 HydrophobicContact CB-CB 3.71Å; S214-A218 WeakPolarHBondContact O-CB 3.34Å; S214-A218 PolarHBondContact O-N 3.18Å; A218-A220 VanDerWaalsContact C-N 3.3Å; A218-A220 PolarHBondContact O-N 3.26Å; A218-I221 PolarHBondContact O-N 3.02Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.11Å; A218-L222 PolarHBondContact O-N 3.41Å |
| 219 | E | 85.4 | Confident | 84.4 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -32.3 | 177.4 | -76.8 | -169.1 | -154.6 | 0 | 0 | 112.5 | M1 R34 N215 L216 Y223 L283 Y287 | M1-E219 PolarHBondContact N-OE1 3.1Å; R34-E219 IonicContact NH1-OE2 3.68Å; R34-E219 PolarHBondContact NH1-OE2 2.97Å; N215-E219 PolarHBondContact ND2-OE1 3.34Å; N215-E219 WeakPolarHBondContact O-CB 3.37Å; N215-E219 WeakPolarHBondContact O-CG 3.24Å; N215-E219 PolarHBondContact O-N 3.46Å; L216-E219 PolarHBondContact O-N 2.87Å; E219-Y223 WeakPolarHBondContact O-CA 3.49Å; E219-Y223 WeakPolarHBondContact O-CB 3.31Å; E219-Y223 PolarHBondContact O-N 3.03Å; E219-L283 HydrophobicContact CB-CD2 4.24Å; E219-L283 WeakPolarHBondContact OE2-CD1 3.3Å; E219-Y287 VanDerWaalsContact CD-OH 3.26Å; E219-Y287 PolarHBondContact OE1-OH 2.9Å; E219-Y287 VanDerWaalsContact OE1-OH 3.11Å |
| 220 | A | 89.9 | Confident | 85 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.2 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L216 L217 A218 Y223 F280 | L216-A220 VanDerWaalsContact O-CB 3.25Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 3.39Å; L217-A220 PolarHBondContact O-N 3.3Å; A218-A220 VanDerWaalsContact C-N 3.3Å; A218-A220 PolarHBondContact O-N 3.26Å; A220-Y223 WeakPolarHBondContact O-CB 3.46Å; A220-Y223 PolarHBondContact O-N 3.25Å; A220-F280 HydrophobicContact CB-CE2 3.95Å; A220-F280 HydrophobicContact CB-CZ 4.03Å |
| 221 | I | 89.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 24.2 Ų | 24.2 | 47% | 0.472 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.9 | -67.8 | 169 | 0 | 0 | 0 | 110.1 | L217 A218 Y223 P224 | L217-I221 HydrophobicContact CD1-CD1 3.98Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.97Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 2.97Å; A218-I221 PolarHBondContact O-N 3.02Å; I221-Y223 VanDerWaalsContact C-N 3.29Å; I221-Y223 PolarHBondContact O-N 3.37Å; I221-P224 WeakPolarHBondContact O-CD 3.31Å |
| 222 | L | 89.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.6 | -177 | -64.8 | 167.2 | 0 | 0 | 0 | 113.9 | S179 N180 M183 A218 V225 G226 | S179-L222 VanDerWaalsContact CB-CD2 3.49Å; N180-L222 HydrophobicContact CB-CD1 3.99Å; N180-L222 VanDerWaalsContact CG-CD1 3.44Å; N180-L222 WeakPolarHBondContact OD1-CD1 3.42Å; M183-L222 HydrophobicContact CB-CD1 4.48Å; M183-L222 HydrophobicContact CG-CD1 4.16Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.11Å; A218-L222 PolarHBondContact O-N 3.41Å; L222-V225 PolarHBondContact O-N 3.24Å; L222-G226 PolarHBondContact O-N 3.23Å |
| 223 | Y | 91.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | -179.3 | -159.6 | -87.2 | 0 | 0 | 0 | 112.9 | R34 Q38 E219 A220 I221 V225 G226 T227 F276 Y277 K278 G279 F280 L283 | R34-Y223 HydrophobicContact CG-CE2 4.49Å; R34-Y223 WeakPolarHBondContact CG-OH 2.82Å; Q38-Y223 HydrophobicContact CG-CE1 4.38Å; Q38-Y223 PolarHBondContact NE2-OH 3.42Å; E219-Y223 WeakPolarHBondContact O-CA 3.49Å; E219-Y223 WeakPolarHBondContact O-CB 3.31Å; E219-Y223 PolarHBondContact O-N 3.03Å; A220-Y223 WeakPolarHBondContact O-CB 3.46Å; A220-Y223 PolarHBondContact O-N 3.25Å; I221-Y223 VanDerWaalsContact C-N 3.29Å; I221-Y223 PolarHBondContact O-N 3.37Å; Y223-V225 PolarHBondContact O-N 2.85Å; Y223-G226 PolarHBondContact O-N 2.84Å; Y223-T227 PolarHBondContact O-N 3.25Å; Y223-T227 PolarHBondContact O-OG1 2.85Å; Y223-F276 WeakPolarHBondContact CD1-O 3.33Å; Y223-F276 WeakPolarHBondContact CE1-O 3.32Å; Y223-Y277 AromaticContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CE1 4.46Å; Y223-Y277 HydrophobicContact CD1-CG 4.38Å; Y223-Y277 HydrophobicContact CG-CD1 4.24Å; Y223-K278 WeakPolarHBondContact CE1-O 3.41Å; Y223-K278 PolarHBondContact OH-O 3.49Å; Y223-G279 PolarHBondContact OH-O 2.99Å; Y223-F280 HydrophobicContact CD1-CD2 4.27Å; Y223-F280 AromaticContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CE2 4.17Å; Y223-F280 HydrophobicContact CE1-CB 4.35Å; Y223-F280 HydrophobicContact CE1-CD2 4.45Å; Y223-F280 HydrophobicContact CE2-CB 4.46Å; Y223-F280 AromaticContact CE2-CD2 3.81Å; Y223-F280 HydrophobicContact CE2-CD2 3.81Å; Y223-F280 AromaticContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CE2 4.43Å; Y223-F280 PolarHBondContact OH-N 3.46Å; Y223-L283 HydrophobicContact CD2-CD2 3.7Å; Y223-L283 HydrophobicContact CE2-CB 4.31Å; Y223-L283 HydrophobicContact CE2-CD2 3.84Å |
| 224 | P | 93 | Very high | 86.6 | Confident | 29 Ų | 29 | 22 Ų | 22 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.9 | -26.4 | 37.8 | 0 | 0 | 0 | 113.3 | I221 G226 T227 V228 F276 Y277 | I221-P224 WeakPolarHBondContact O-CD 3.31Å; P224-G226 VanDerWaalsContact C-N 3.32Å; P224-G226 PolarHBondContact O-N 3.04Å; P224-T227 PolarHBondContact O-N 2.82Å; P224-V228 WeakPolarHBondContact O-CG2 3.37Å; P224-V228 PolarHBondContact O-N 3.4Å; P224-V228 VanDerWaalsContact O-N 3.12Å; P224-F276 HydrophobicContact CB-CB 3.89Å; P224-F276 HydrophobicContact CB-CD1 4.02Å; P224-F276 HydrophobicContact CB-CG 4.19Å; P224-F276 HydrophobicContact CG-CB 4.28Å; P224-Y277 HydrophobicContact CG-CE1 4.28Å; P224-Y277 HydrophobicContact CG-CE2 3.81Å; P224-Y277 WeakPolarHBondContact CG-OH 3.45Å |
| 225 | V | 90.6 | Very high | 86.8 | Confident | 64 Ų | 64 | 22.7 Ų | 22.7 | 39% | 0.388 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | H176 L222 Y223 T227 V228 V229 | H176-V225 HydrophobicContact CB-CG1 4.06Å; L222-V225 PolarHBondContact O-N 3.24Å; Y223-V225 PolarHBondContact O-N 2.85Å; V225-T227 PolarHBondContact O-N 3.21Å; V225-V228 PolarHBondContact O-N 3.3Å; V225-V229 HydrophobicContact CG1-CG2 4.5Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.17Å; V225-V229 PolarHBondContact O-N 2.81Å |
| 226 | G | 87.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L222 Y223 P224 V228 V229 Y230 | L222-G226 PolarHBondContact O-N 3.23Å; Y223-G226 PolarHBondContact O-N 2.84Å; P224-G226 VanDerWaalsContact C-N 3.32Å; P224-G226 PolarHBondContact O-N 3.04Å; G226-V228 VanDerWaalsContact C-N 3.32Å; G226-V228 PolarHBondContact O-N 3.33Å; G226-V229 WeakPolarHBondContact O-CB 3.3Å; G226-V229 PolarHBondContact O-N 3.04Å; G226-V229 VanDerWaalsContact O-N 3.11Å; G226-Y230 WeakPolarHBondContact O-CD2 3.14Å; G226-Y230 WeakPolarHBondContact O-CE2 3.36Å; G226-Y230 PolarHBondContact O-N 3.19Å |
| 227 | T | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.6 | -43.7 | -179.8 | -61 | 0 | 0 | 0 | 0 | 112.6 | Q38 Y223 P224 V225 Y230 R231 F276 | Q38-T227 HydrophobicContact CB-CG2 4.38Å; Q38-T227 PolarHBondContact NE2-OG1 3.3Å; Y223-T227 PolarHBondContact O-N 3.25Å; Y223-T227 PolarHBondContact O-OG1 2.85Å; P224-T227 PolarHBondContact O-N 2.82Å; V225-T227 PolarHBondContact O-N 3.21Å; T227-Y230 PolarHBondContact O-N 3.23Å; T227-R231 WeakPolarHBondContact O-CG 3.5Å; T227-R231 PolarHBondContact O-N 2.94Å; T227-R231 VanDerWaalsContact O-N 3.16Å; T227-F276 WeakPolarHBondContact CB-O 3.3Å; T227-F276 PolarHBondContact OG1-O 3.37Å |
| 228 | V | 91.1 | Very high | 85.2 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | P224 V225 G226 Y230 R231 L232 V260 C263 V264 I267 F276 | P224-V228 WeakPolarHBondContact O-CG2 3.37Å; P224-V228 PolarHBondContact O-N 3.4Å; P224-V228 VanDerWaalsContact O-N 3.12Å; V225-V228 PolarHBondContact O-N 3.3Å; G226-V228 VanDerWaalsContact C-N 3.32Å; G226-V228 PolarHBondContact O-N 3.33Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.11Å; V228-R231 PolarHBondContact O-N 3.5Å; V228-L232 HydrophobicContact CG1-CD1 4.01Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 2.91Å; V228-L232 VanDerWaalsContact O-N 3.07Å; V228-V260 HydrophobicContact CG1-CG1 3.96Å; V228-C263 HydrophobicContact CG1-CB 4.19Å; V228-V264 HydrophobicContact CG1-CG2 4.15Å; V228-V264 HydrophobicContact CG2-CG2 3.71Å; V228-I267 HydrophobicContact CG2-CD1 3.85Å; V228-F276 HydrophobicContact CG2-CD1 4.25Å; V228-F276 HydrophobicContact CG2-CE1 3.93Å |
| 229 | V | 86.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 179.5 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | P172 V225 G226 R231 L232 Y233 | P172-V229 HydrophobicContact CB-CG2 3.75Å; V225-V229 HydrophobicContact CG1-CG2 4.5Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.17Å; V225-V229 PolarHBondContact O-N 2.81Å; G226-V229 WeakPolarHBondContact O-CB 3.3Å; G226-V229 PolarHBondContact O-N 3.04Å; G226-V229 VanDerWaalsContact O-N 3.11Å; V229-R231 PolarHBondContact O-N 3.43Å; V229-L232 PolarHBondContact O-N 3.44Å; V229-Y233 HydrophobicContact CG1-CD2 3.85Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 VanDerWaalsContact O-CD2 3.29Å; V229-Y233 WeakPolarHBondContact O-CD2 3.26Å; V229-Y233 PolarHBondContact O-N 3.42Å |
| 230 | Y | 86.5 | Confident | 84.8 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 9% | 0.09 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -31.8 | -179.7 | -55.5 | -45.2 | 0 | 0 | 0 | 113.7 | R35 F128 G226 T227 V228 Y233 L234 | R35-Y230 VanDerWaalsContact NH1-CD2 3.35Å; R35-Y230 PolarHBondContact NH1-OH 3.2Å; R35-Y230 PolarHBondContact NH2-OH 2.94Å; F128-Y230 AromaticContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CE1 4.01Å; F128-Y230 HydrophobicContact CE1-CG 4.23Å; F128-Y230 AromaticContact CE2-CD1 3.65Å; F128-Y230 HydrophobicContact CE2-CD1 3.65Å; F128-Y230 AromaticContact CE2-CE1 3.87Å; F128-Y230 HydrophobicContact CE2-CE1 3.87Å; F128-Y230 AromaticContact CZ-CD1 3.07Å; F128-Y230 HydrophobicContact CZ-CD1 3.07Å; F128-Y230 AromaticContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CG 4.15Å; G226-Y230 WeakPolarHBondContact O-CD2 3.14Å; G226-Y230 WeakPolarHBondContact O-CE2 3.36Å; G226-Y230 PolarHBondContact O-N 3.19Å; T227-Y230 PolarHBondContact O-N 3.23Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.11Å; Y230-Y233 AromaticContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CE2 4.2Å; Y230-Y233 HydrophobicContact CE1-CE2 4.43Å; Y230-L234 PolarHBondContact O-N 3.49Å |
| 231 | R | 88.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.5 | -37.9 | 172.8 | -72.5 | -177.9 | 179.5 | -151.7 | 8.9 | 112.2 | Q38 T227 V228 V229 L234 Q235 Y257 E271 | Q38-R231 PolarHBondContact O-NE 3.13Å; Q38-R231 PolarHBondContact O-NH2 3.48Å; T227-R231 WeakPolarHBondContact O-CG 3.5Å; T227-R231 PolarHBondContact O-N 2.94Å; T227-R231 VanDerWaalsContact O-N 3.16Å; V228-R231 PolarHBondContact O-N 3.5Å; V229-R231 PolarHBondContact O-N 3.43Å; R231-L234 PolarHBondContact O-N 2.99Å; R231-Q235 PolarHBondContact O-N 3.39Å; R231-Y257 HydrophobicContact CB-CE2 3.94Å; R231-Y257 PolarHBondContact NH1-OH 2.74Å; R231-E271 IonicContact CZ-OE1 3.14Å; R231-E271 IonicContact CZ-OE2 3.78Å; R231-E271 IonicContact NH1-OE1 2.64Å; R231-E271 PolarHBondContact NH1-OE1 2.94Å; R231-E271 IonicContact NH1-OE2 3.94Å; R231-E271 IonicContact NH2-OE1 2.8Å; R231-E271 PolarHBondContact NH2-OE1 3.15Å; R231-E271 IonicContact NH2-OE2 2.78Å; R231-E271 PolarHBondContact NH2-OE2 3.09Å |
| 232 | L | 85.5 | Confident | 84.7 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 175.5 | -65.5 | 170.4 | 0 | 0 | 0 | 111.9 | F164 L169 V228 V229 L234 Q235 Y257 V260 C263 | F164-L232 HydrophobicContact CD2-CD2 3.97Å; F164-L232 HydrophobicContact CE2-CD2 3.43Å; F164-L232 VanDerWaalsContact CE2-CD2 3.43Å; F164-L232 HydrophobicContact CZ-CD2 4.02Å; L169-L232 HydrophobicContact CD1-CB 3.51Å; L169-L232 HydrophobicContact CD1-CD1 4.24Å; V228-L232 HydrophobicContact CG1-CD1 4.01Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 2.91Å; V228-L232 VanDerWaalsContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 3.44Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.76Å; L232-Q235 WeakPolarHBondContact O-CB 3.47Å; L232-Q235 PolarHBondContact O-N 2.89Å; L232-Y257 HydrophobicContact CD2-CD2 4.27Å; L232-V260 HydrophobicContact CD1-CB 4.47Å; L232-V260 HydrophobicContact CD1-CG2 3.9Å; L232-C263 HydrophobicContact CD2-CB 4.03Å; L232-C263 HydrophobicContact CG-CB 4.46Å |
| 233 | Y | 80.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -35.8 | 175 | -75.2 | -52.9 | 0 | 0 | 0 | 113.7 | V121 Q124 L125 F128 L169 S173 V229 Y230 Q235 | V121-Y233 HydrophobicContact CG1-CE1 4.04Å; Q124-Y233 HydrophobicContact CB-CE1 4.4Å; Q124-Y233 HydrophobicContact CB-CE2 4.3Å; Q124-Y233 PolarHBondContact OE1-OH 2.87Å; L125-Y233 HydrophobicContact CD1-CD1 4.28Å; L125-Y233 WeakPolarHBondContact CD1-O 3.43Å; F128-Y233 AromaticContact CD2-CD2 3.34Å; F128-Y233 HydrophobicContact CD2-CD2 3.34Å; F128-Y233 AromaticContact CD2-CE2 3.92Å; F128-Y233 HydrophobicContact CD2-CE2 3.92Å; F128-Y233 AromaticContact CD2-CG 3.72Å; F128-Y233 HydrophobicContact CD2-CG 3.72Å; F128-Y233 AromaticContact CE2-CD2 3.3Å; F128-Y233 HydrophobicContact CE2-CD2 3.3Å; F128-Y233 AromaticContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CE2 3.5Å; F128-Y233 VanDerWaalsContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CG 4.16Å; F128-Y233 HydrophobicContact CG-CD2 4.34Å; F128-Y233 HydrophobicContact CZ-CD2 4.25Å; F128-Y233 HydrophobicContact CZ-CE2 4.46Å; L169-Y233 HydrophobicContact CD1-CD1 4.37Å; L169-Y233 HydrophobicContact CD1-CE1 4.29Å; L169-Y233 HydrophobicContact CD2-CD1 3.16Å; L169-Y233 HydrophobicContact CD2-CE1 3.45Å; L169-Y233 VanDerWaalsContact CD2-CE1 3.45Å; L169-Y233 HydrophobicContact CD2-CG 4.1Å; L169-Y233 HydrophobicContact CG-CD1 3.84Å; L169-Y233 HydrophobicContact CG-CE1 3.61Å; S173-Y233 VanDerWaalsContact CB-OH 3.3Å; S173-Y233 WeakPolarHBondContact CB-OH 2.93Å; S173-Y233 PolarHBondContact OG-OH 2.98Å; V229-Y233 HydrophobicContact CG1-CD2 3.85Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 VanDerWaalsContact O-CD2 3.29Å; V229-Y233 WeakPolarHBondContact O-CD2 3.26Å; V229-Y233 PolarHBondContact O-N 3.42Å; Y230-Y233 AromaticContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CE2 4.2Å; Y230-Y233 HydrophobicContact CE1-CE2 4.43Å; Y233-Q235 VanDerWaalsContact C-N 3.35Å |
| 234 | L | 79.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.5 | -12.8 | -178.4 | -81.7 | -172.3 | 0 | 0 | 0 | 114 | V39 F132 Y230 R231 L232 G236 S237 V239 I253 | V39-L234 HydrophobicContact CB-CD1 3.57Å; V39-L234 HydrophobicContact CG1-CD1 3.53Å; V39-L234 HydrophobicContact CG1-CG 4.36Å; V39-L234 HydrophobicContact CG2-CD1 3.68Å; F132-L234 HydrophobicContact CD1-CD1 4.5Å; F132-L234 HydrophobicContact CD2-CD1 3.64Å; F132-L234 HydrophobicContact CD2-CD2 3.65Å; F132-L234 HydrophobicContact CD2-CG 3.96Å; F132-L234 HydrophobicContact CE1-CD1 4.43Å; F132-L234 HydrophobicContact CE2-CD1 3.58Å; F132-L234 HydrophobicContact CE2-CD2 4.12Å; F132-L234 HydrophobicContact CE2-CG 3.93Å; F132-L234 HydrophobicContact CG-CD1 4.13Å; F132-L234 HydrophobicContact CG-CD2 4.42Å; F132-L234 HydrophobicContact CZ-CD1 3.99Å; Y230-L234 PolarHBondContact O-N 3.49Å; R231-L234 PolarHBondContact O-N 2.99Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.76Å; L234-G236 PolarHBondContact O-N 2.97Å; L234-S237 WeakPolarHBondContact O-CB 3.48Å; L234-S237 PolarHBondContact O-N 2.78Å; L234-S237 PolarHBondContact O-OG 3.4Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; L234-V239 HydrophobicContact CD2-CG2 4.39Å; L234-I253 HydrophobicContact CB-CG2 4.43Å; L234-I253 HydrophobicContact CD1-CG1 4.21Å |
| 235 | Q | 80.7 | Confident | 84.5 | Confident | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.065 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136.8 | -179.1 | -175 | 161.6 | -41.5 | 0 | 0 | 111.9 | F164 R231 L232 Y233 S237 Y257 | F164-Q235 HydrophobicContact CD2-CB 4.32Å; F164-Q235 HydrophobicContact CD2-CG 4.29Å; F164-Q235 VanDerWaalsContact CE2-OE1 3.23Å; R231-Q235 PolarHBondContact O-N 3.39Å; L232-Q235 WeakPolarHBondContact O-CB 3.47Å; L232-Q235 PolarHBondContact O-N 2.89Å; Y233-Q235 VanDerWaalsContact C-N 3.35Å; Q235-S237 PolarHBondContact O-N 2.8Å; Q235-S237 VanDerWaalsContact O-N 3.15Å; Q235-Y257 PolarHBondContact NE2-O 3.43Å; Q235-Y257 VanDerWaalsContact OE1-CD2 3.3Å; Q235-Y257 PolarHBondContact OE1-O 3.34Å |
| 236 | G | 71.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 24.6 Ų | 24.6 | 26% | 0.258 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 4.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R163 L234 | R163-G236 PolarHBondContact NE-O 2.63Å; R163-G236 PolarHBondContact NH2-O 2.91Å; L234-G236 PolarHBondContact O-N 2.97Å |
| 237 | S | 71.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | trans | -93.3 | 119.4 | 168.4 | -42.3 | 0 | 0 | 0 | 0 | 108.5 | R150 L234 Q235 V239 | R150-S237 VanDerWaalsContact CZ-OG 3.24Å; R150-S237 PolarHBondContact NH1-OG 2.64Å; R150-S237 VanDerWaalsContact NH2-CB 3.26Å; R150-S237 PolarHBondContact NH2-OG 3.35Å; L234-S237 WeakPolarHBondContact O-CB 3.48Å; L234-S237 PolarHBondContact O-N 2.78Å; L234-S237 PolarHBondContact O-OG 3.4Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; Q235-S237 PolarHBondContact O-N 2.8Å; Q235-S237 VanDerWaalsContact O-N 3.15Å; S237-V239 PolarHBondContact O-N 2.91Å | ||
| 238 | R | 72.9 | Confident | 84.2 | Confident | 240 Ų | 240 | 28.7 Ų | 28.7 | 91% | 0.906 | 14% | 0.143 | S | C | * | . | trans | -76.4 | 54.5 | 175.6 | -62.5 | -175.2 | -173.8 | 175.5 | 3.2 | 111.2 | ||||
| 239 | V | 78.9 | Confident | 84 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -91.1 | 138.6 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | F132 L234 S237 I253 | F132-V239 HydrophobicContact CB-CG1 3.44Å; F132-V239 VanDerWaalsContact CB-CG1 3.44Å; F132-V239 WeakPolarHBondContact O-CG1 3.31Å; L234-V239 HydrophobicContact CD2-CG2 4.39Å; S237-V239 PolarHBondContact O-N 2.91Å; V239-I253 PolarHBondContact O-N 3.38Å; V239-I253 VanDerWaalsContact O-N 3.09Å |
| 240 | I | 84.5 | Confident | 84.1 | Confident | 48 Ų | 48 | 33 Ų | 33 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.7 | 176.1 | -63.4 | 172.5 | 0 | 0 | 0 | 106.9 | V134 R135 V250 | V134-I240 WeakPolarHBondContact CB-O 3.33Å; V134-I240 WeakPolarHBondContact CG2-O 3.4Å; V134-I240 PolarHBondContact N-O 2.91Å; R135-I240 HydrophobicContact CB-CD1 4.44Å; I240-V250 HydrophobicContact CG2-CB 3.49Å; I240-V250 VanDerWaalsContact CG2-CB 3.49Å; I240-V250 HydrophobicContact CG2-CG1 4.34Å; I240-V250 HydrophobicContact CG2-CG2 3.59Å |
| 241 | I | 87.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 163.4 | -178.6 | 59.2 | 150.1 | 0 | 0 | 0 | 111.7 | Q36 V39 N40 F132 V250 V251 I253 | Q36-I241 VanDerWaalsContact OE1-CB 3.23Å; V39-I241 HydrophobicContact CG2-CD1 4.3Å; V39-I241 HydrophobicContact CG2-CG2 4.04Å; N40-I241 HydrophobicContact CB-CD1 3.52Å; F132-I241 HydrophobicContact CB-CG2 4.14Å; F132-I241 HydrophobicContact CD1-CG2 3.69Å; F132-I241 HydrophobicContact CE1-CG2 4.4Å; F132-I241 HydrophobicContact CG-CG2 4.19Å; I241-V250 CarbonylContact O-C 3.51Å; I241-V250 VanDerWaalsContact O-CA 3.25Å; I241-V250 WeakPolarHBondContact O-CA 3.31Å; I241-V250 WeakPolarHBondContact O-CB 3.35Å; I241-V251 HydrophobicContact CD1-CB 4.43Å; I241-V251 HydrophobicContact CG1-CB 4.08Å; I241-V251 WeakPolarHBondContact CG1-O 3.45Å; I241-V251 PolarHBondContact N-O 3.11Å; I241-V251 PolarHBondContact O-N 3.41Å; I241-I253 HydrophobicContact CB-CD1 4.48Å; I241-I253 HydrophobicContact CD1-CD1 3.59Å; I241-I253 HydrophobicContact CG1-CD1 3.71Å; I241-I253 HydrophobicContact CG1-CG1 4.16Å; I241-I253 HydrophobicContact CG2-CD1 3.97Å; I241-I253 HydrophobicContact CG2-CG1 3.76Å |
| 242 | D | 88.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 136.4 | 173.5 | -67.5 | -50.6 | 0 | 0 | 0 | 110 | L60 Q64 K71 V134 M244 | L60-D242 HydrophobicContact CD2-CB 4.07Å; Q64-D242 PolarHBondContact NE2-OD1 3.05Å; Q64-D242 PolarHBondContact OE1-OD1 3.31Å; K71-D242 IonicContact NZ-OD1 2.63Å; K71-D242 PolarHBondContact NZ-OD1 3.12Å; K71-D242 IonicContact NZ-OD2 3.57Å; K71-D242 PolarHBondContact NZ-OD2 2.97Å; V134-D242 WeakPolarHBondContact CG1-OD1 3.44Å; V134-D242 WeakPolarHBondContact CG2-OD1 3.25Å; D242-M244 PolarHBondContact O-N 3.48Å |
| 243 | N | 90.1 | Very high | 84.2 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -73.4 | 99.7 | 177.6 | -171.8 | -4.2 | 0 | 0 | 0 | 110.8 | D245 N246 G247 S249 V251 | N243-D245 PolarHBondContact O-N 3.36Å; N243-D245 WeakPolarHBondContact OD1-CB 3.38Å; N243-D245 PolarHBondContact OD1-N 3.24Å; N243-N246 PolarHBondContact O-N 3.18Å; N243-G247 WeakPolarHBondContact O-CA 3.26Å; N243-G247 PolarHBondContact O-N 2.95Å; N243-S249 WeakPolarHBondContact CB-O 3.06Å; N243-S249 VanDerWaalsContact CB-OG 3.32Å; N243-S249 WeakPolarHBondContact CB-OG 3.07Å; N243-S249 PolarHBondContact N-O 3.13Å; N243-S249 PolarHBondContact ND2-OG 3.02Å; N243-V251 HydrophobicContact CB-CG2 3.87Å | ||
| 244 | M | 90.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -2.8 | 178.3 | -64 | -55.3 | -61.1 | 0 | 0 | 114.6 | L33 Q36 H47 L53 I56 L60 D242 | L33-M244 HydrophobicContact CD2-CE 3.64Å; L33-M244 HydrophobicContact CD2-SD 4.42Å; Q36-M244 HydrophobicContact CB-CG 3.69Å; Q36-M244 HydrophobicContact CB-SD 3.84Å; H47-M244 PolarHBondContact NE2-O 3.01Å; L53-M244 HydrophobicContact CD2-CE 4.11Å; I56-M244 WeakPolarHBondContact CD1-O 3.28Å; I56-M244 HydrophobicContact CG2-CE 3.64Å; I56-M244 HydrophobicContact CG2-SD 4.2Å; L60-M244 HydrophobicContact CD1-CE 4.39Å; L60-M244 HydrophobicContact CD1-SD 4.07Å; D242-M244 PolarHBondContact O-N 3.48Å |
| 245 | D | 90.7 | Very high | 84.4 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -45.1 | 173.4 | -71.9 | -30.4 | 0 | 0 | 0 | 111.8 | A43 I44 R45 N243 | A43-D245 WeakPolarHBondContact CA-OD2 3.17Å; I44-D245 PolarHBondContact N-OD1 3.47Å; I44-D245 PolarHBondContact N-OD2 3.47Å; R45-D245 WeakPolarHBondContact CA-OD1 3.04Å; R45-D245 VanDerWaalsContact CB-OD1 3.29Å; R45-D245 WeakPolarHBondContact CB-OD1 3.34Å; R45-D245 PolarHBondContact N-OD1 3.49Å; R45-D245 PolarHBondContact NH1-O 2.98Å; N243-D245 PolarHBondContact O-N 3.36Å; N243-D245 WeakPolarHBondContact OD1-CB 3.38Å; N243-D245 PolarHBondContact OD1-N 3.24Å |
| 246 | N | 89 | Confident | 84.6 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -25.6 | -173.2 | -64.7 | 0.1 | 0 | 0 | 0 | 113.6 | N59 N243 T248 | N59-N246 WeakPolarHBondContact CB-O 2.81Å; N59-N246 PolarHBondContact ND2-O 2.98Å; N243-N246 PolarHBondContact O-N 3.18Å; N246-T248 VanDerWaalsContact C-N 3.28Å; N246-T248 PolarHBondContact O-N 2.83Å |
| 247 | G | 87.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 73.3 | 13.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N59 N63 N243 | N59-G247 CarbonylContact C-O 3.56Å; N63-G247 PolarHBondContact ND2-O 3.49Å; N243-G247 WeakPolarHBondContact O-CA 3.26Å; N243-G247 PolarHBondContact O-N 2.95Å |
| 248 | T | 86.1 | Confident | 85.9 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -117.5 | -21.4 | -174.2 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | N63 N246 | N63-T248 WeakPolarHBondContact ND2-CA 3.38Å; N63-T248 WeakPolarHBondContact ND2-CG2 2.93Å; N246-T248 VanDerWaalsContact C-N 3.28Å; N246-T248 PolarHBondContact O-N 2.83Å |
| 249 | S | 88.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -121.5 | 174.2 | -178.2 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | N243 | N243-S249 WeakPolarHBondContact CB-O 3.06Å; N243-S249 VanDerWaalsContact CB-OG 3.32Å; N243-S249 WeakPolarHBondContact CB-OG 3.07Å; N243-S249 PolarHBondContact N-O 3.13Å; N243-S249 PolarHBondContact ND2-OG 3.02Å |
| 250 | V | 88.4 | Confident | 87 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.7 | 177 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | V134 I240 I241 | V134-V250 HydrophobicContact CB-CG1 4.48Å; V134-V250 HydrophobicContact CG1-CG1 3.65Å; I240-V250 HydrophobicContact CG2-CB 3.49Å; I240-V250 VanDerWaalsContact CG2-CB 3.49Å; I240-V250 HydrophobicContact CG2-CG1 4.34Å; I240-V250 HydrophobicContact CG2-CG2 3.59Å; I241-V250 CarbonylContact O-C 3.51Å; I241-V250 VanDerWaalsContact O-CA 3.25Å; I241-V250 WeakPolarHBondContact O-CA 3.31Å; I241-V250 WeakPolarHBondContact O-CB 3.35Å |
| 251 | V | 89 | Confident | 87.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.4 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | I241 N243 | I241-V251 HydrophobicContact CD1-CB 4.43Å; I241-V251 HydrophobicContact CG1-CB 4.08Å; I241-V251 WeakPolarHBondContact CG1-O 3.45Å; I241-V251 PolarHBondContact N-O 3.11Å; I241-V251 PolarHBondContact O-N 3.41Å; N243-V251 HydrophobicContact CB-CG2 3.87Å |
| 252 | P | 87.7 | Confident | 87.6 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.7 | 172.8 | 31 | -33.1 | 0 | 0 | 0 | 110.9 | N254 | P252-N254 PolarHBondContact O-N 2.97Å |
| 253 | I | 84.7 | Confident | 87.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | trans | -81.3 | 113.2 | 170.9 | -59.2 | -61.7 | 0 | 0 | 0 | 108.8 | V39 L234 V239 I241 | V39-I253 HydrophobicContact CB-CD1 4.43Å; V39-I253 HydrophobicContact CG2-CD1 4.15Å; V39-I253 WeakPolarHBondContact O-CD1 2.94Å; L234-I253 HydrophobicContact CB-CG2 4.43Å; L234-I253 HydrophobicContact CD1-CG1 4.21Å; V239-I253 PolarHBondContact O-N 3.38Å; V239-I253 VanDerWaalsContact O-N 3.09Å; I241-I253 HydrophobicContact CB-CD1 4.48Å; I241-I253 HydrophobicContact CD1-CD1 3.59Å; I241-I253 HydrophobicContact CG1-CD1 3.71Å; I241-I253 HydrophobicContact CG1-CG1 4.16Å; I241-I253 HydrophobicContact CG2-CD1 3.97Å; I241-I253 HydrophobicContact CG2-CG1 3.76Å | ||
| 254 | N | 81.9 | Confident | 88 | Confident | 155 Ų | 155 | 54.3 Ų | 54.3 | 83% | 0.829 | 31% | 0.309 | S | S | * | . | trans | -124.1 | 32.6 | 178.8 | -165.5 | 32 | 0 | 0 | 0 | 112.6 | P252 | P252-N254 PolarHBondContact O-N 2.97Š| ||
| 255 | T | 82.4 | Confident | 88.3 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | trans | -84.2 | 135.8 | 178.8 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | A41 Y257 | A41-T255 HydrophobicContact CB-CG2 3.75Å; T255-Y257 HydrophobicContact CG2-CE2 4.41Å; T255-Y257 WeakPolarHBondContact CG2-OH 3.04Å | ||
| 256 | C | 84.6 | Confident | 88.4 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 51% | 0.507 | 34% | 0.343 | S | S | . | . | trans | -127.3 | 117 | 173.4 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 257 | Y | 86.9 | Confident | 88.6 | Confident | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | trans | -112.2 | 146.4 | 174.1 | -50 | -72 | 0 | 0 | 0 | 108.6 | F164 R231 L232 Q235 T255 D262 C263 T266 | F164-Y257 WeakPolarHBondContact CE2-O 3.27Å; F164-Y257 WeakPolarHBondContact CZ-O 3.32Å; R231-Y257 HydrophobicContact CB-CE2 3.94Å; R231-Y257 PolarHBondContact NH1-OH 2.74Å; L232-Y257 HydrophobicContact CD2-CD2 4.27Å; Q235-Y257 PolarHBondContact NE2-O 3.43Å; Q235-Y257 VanDerWaalsContact OE1-CD2 3.3Å; Q235-Y257 PolarHBondContact OE1-O 3.34Å; T255-Y257 HydrophobicContact CG2-CE2 4.41Å; T255-Y257 WeakPolarHBondContact CG2-OH 3.04Å; Y257-D262 WeakPolarHBondContact CA-OD2 3.48Å; Y257-C263 VanDerWaalsContact CD1-CA 3.43Å; Y257-C263 HydrophobicContact CD1-CB 3.8Å; Y257-C263 HydrophobicContact CD2-CB 4.13Å; Y257-C263 HydrophobicContact CE1-CB 4.3Å; Y257-C263 HydrophobicContact CG-CB 3.67Å; Y257-T266 HydrophobicContact CD1-CG2 4.33Å; Y257-T266 HydrophobicContact CE1-CG2 3.77Å | ||
| 258 | Q | 84.8 | Confident | 89 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -89.3 | -20.2 | 177.5 | -63.6 | -60.3 | -33.8 | 0 | 0 | 113 | F164 D262 | F164-Q258 WeakPolarHBondContact CE1-O 3.38Å; Q258-D262 HydrophobicContact CB-CB 4.16Å; Q258-D262 PolarHBondContact N-OD2 3.44Å |
| 259 | G | 85.1 | Confident | 89.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -169.4 | -172 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D262 C263 | G259-D262 PolarHBondContact O-N 3.19Å; G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.87Å |
| 260 | V | 89.4 | Confident | 89.7 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 175.8 | -177 | 0 | 0 | 0 | 0 | 110.7 | Y168 P172 V228 L232 D262 C263 V264 | Y168-V260 HydrophobicContact CE1-CG2 4.1Å; P172-V260 HydrophobicContact CB-CG2 4.47Å; P172-V260 HydrophobicContact CG-CG2 3.44Å; P172-V260 VanDerWaalsContact CG-CG2 3.44Å; V228-V260 HydrophobicContact CG1-CG1 3.96Å; L232-V260 HydrophobicContact CD1-CB 4.47Å; L232-V260 HydrophobicContact CD1-CG2 3.9Å; V260-D262 VanDerWaalsContact C-N 3.34Å; V260-C263 WeakPolarHBondContact O-CB 3.32Å; V260-C263 PolarHBondContact O-N 2.97Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.3Å |
| 261 | I | 92 | Very high | 89.8 | Confident | 140 Ų | 140 | 70.7 Ų | 70.7 | 72% | 0.718 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | -179.7 | -60.5 | 173.6 | 0 | 0 | 0 | 110.2 | C263 V264 R265 | I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.83Å; I261-V264 PolarHBondContact O-N 2.86Å; I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 PolarHBondContact O-N 2.59Å |
| 262 | D | 92.8 | Very high | 90 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.9 | -172.9 | 51.8 | 0 | 0 | 0 | 111.9 | Y257 Q258 G259 V260 R265 T266 | Y257-D262 WeakPolarHBondContact CA-OD2 3.48Å; Q258-D262 HydrophobicContact CB-CB 4.16Å; Q258-D262 PolarHBondContact N-OD2 3.44Å; G259-D262 PolarHBondContact O-N 3.19Å; V260-D262 VanDerWaalsContact C-N 3.34Å; D262-R265 PolarHBondContact O-N 2.73Å; D262-T266 VanDerWaalsContact O-CB 3.28Å; D262-T266 WeakPolarHBondContact O-CB 2.99Å; D262-T266 PolarHBondContact O-N 3.26Å; D262-T266 PolarHBondContact O-OG1 2.84Å |
| 263 | C | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | V228 L232 Y257 G259 V260 I261 R265 T266 I267 | V228-C263 HydrophobicContact CG1-CB 4.19Å; L232-C263 HydrophobicContact CD2-CB 4.03Å; L232-C263 HydrophobicContact CG-CB 4.46Å; Y257-C263 VanDerWaalsContact CD1-CA 3.43Å; Y257-C263 HydrophobicContact CD1-CB 3.8Å; Y257-C263 HydrophobicContact CD2-CB 4.13Å; Y257-C263 HydrophobicContact CE1-CB 4.3Å; Y257-C263 HydrophobicContact CG-CB 3.67Å; G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.87Å; V260-C263 WeakPolarHBondContact O-CB 3.32Å; V260-C263 PolarHBondContact O-N 2.97Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.83Å; C263-R265 PolarHBondContact O-N 3.49Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-I267 WeakPolarHBondContact O-CD1 3.12Å; C263-I267 WeakPolarHBondContact O-CG1 3.07Å; C263-I267 PolarHBondContact O-N 3.25Å |
| 264 | V | 94.4 | Very high | 90.6 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | V228 V260 I261 I267 Y268 F276 | V228-V264 HydrophobicContact CG1-CG2 4.15Å; V228-V264 HydrophobicContact CG2-CG2 3.71Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.3Å; I261-V264 PolarHBondContact O-N 2.86Å; V264-I267 PolarHBondContact O-N 3.47Å; V264-Y268 WeakPolarHBondContact O-CB 3.47Å; V264-Y268 PolarHBondContact O-N 2.9Å; V264-F276 HydrophobicContact CG1-CE1 4.34Å; V264-F276 HydrophobicContact CG1-CZ 4.06Å; V264-F276 WeakPolarHBondContact O-CZ 3.41Å |
| 265 | R | 96.1 | Very high | 91 | Very high | 172 Ų | 172 | 68.3 Ų | 68.3 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | -179.1 | -144.8 | 179.9 | -162.9 | 170.5 | 3.7 | 111.2 | I261 D262 C263 I267 Y268 D269 | I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 PolarHBondContact O-N 2.59Å; D262-R265 PolarHBondContact O-N 2.73Å; C263-R265 PolarHBondContact O-N 3.49Å; R265-I267 PolarHBondContact O-N 3.38Å; R265-Y268 PolarHBondContact O-N 3.08Å; R265-Y268 VanDerWaalsContact O-N 3.13Å; R265-D269 WeakPolarHBondContact O-CB 3.22Å; R265-D269 VanDerWaalsContact O-CG 3.26Å; R265-D269 PolarHBondContact O-N 2.9Å |
| 266 | T | 94.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.172 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178 | -57.7 | 0 | 0 | 0 | 0 | 112 | Y257 D262 C263 Y268 D269 Q270 | Y257-T266 HydrophobicContact CD1-CG2 4.33Å; Y257-T266 HydrophobicContact CE1-CG2 3.77Å; D262-T266 VanDerWaalsContact O-CB 3.28Å; D262-T266 WeakPolarHBondContact O-CB 2.99Å; D262-T266 PolarHBondContact O-N 3.26Å; D262-T266 PolarHBondContact O-OG1 2.84Å; C263-T266 PolarHBondContact O-N 2.87Å; T266-Y268 VanDerWaalsContact C-N 3.35Å; T266-D269 PolarHBondContact O-N 3.15Å; T266-Q270 HydrophobicContact CG2-CG 4.2Å; T266-Q270 VanDerWaalsContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CG 3.19Å; T266-Q270 PolarHBondContact O-N 2.8Å |
| 267 | I | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.1 | -65.9 | 160.6 | 0 | 0 | 0 | 110.3 | V228 C263 V264 R265 E271 G272 F276 | V228-I267 HydrophobicContact CG2-CD1 3.85Å; C263-I267 WeakPolarHBondContact O-CD1 3.12Å; C263-I267 WeakPolarHBondContact O-CG1 3.07Å; C263-I267 PolarHBondContact O-N 3.25Å; V264-I267 PolarHBondContact O-N 3.47Å; R265-I267 PolarHBondContact O-N 3.38Å; I267-E271 WeakPolarHBondContact O-CA 3.05Å; I267-E271 WeakPolarHBondContact O-CB 3.25Å; I267-E271 PolarHBondContact O-N 3.08Å; I267-G272 PolarHBondContact O-N 3.31Å; I267-F276 HydrophobicContact CB-CE1 3.94Å; I267-F276 HydrophobicContact CB-CE2 4.24Å; I267-F276 HydrophobicContact CB-CZ 3.75Å; I267-F276 HydrophobicContact CD1-CD1 4.28Å; I267-F276 HydrophobicContact CD1-CE1 3.85Å; I267-F276 HydrophobicContact CG2-CD1 3.92Å; I267-F276 HydrophobicContact CG2-CD2 3.84Å; I267-F276 HydrophobicContact CG2-CE1 3.73Å; I267-F276 HydrophobicContact CG2-CE2 3.64Å; I267-F276 HydrophobicContact CG2-CG 3.98Å; I267-F276 HydrophobicContact CG2-CZ 3.59Å |
| 268 | Y | 95.4 | Very high | 92.3 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | -179 | -176.5 | -94.6 | 0 | 0 | 0 | 111.9 | V264 R265 T266 G272 V273 F276 | V264-Y268 WeakPolarHBondContact O-CB 3.47Å; V264-Y268 PolarHBondContact O-N 2.9Å; R265-Y268 PolarHBondContact O-N 3.08Å; R265-Y268 VanDerWaalsContact O-N 3.13Å; T266-Y268 VanDerWaalsContact C-N 3.35Å; Y268-G272 WeakPolarHBondContact O-CA 3.48Å; Y268-G272 PolarHBondContact O-N 2.93Å; Y268-V273 HydrophobicContact CD2-CG2 4.19Å; Y268-V273 HydrophobicContact CE2-CG2 3.79Å; Y268-F276 HydrophobicContact CD2-CE2 4.49Å |
| 269 | D | 94.6 | Very high | 92.7 | Very high | 116 Ų | 116 | 61 Ų | 61 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -73.8 | -38.4 | -176.3 | -65.6 | -20.9 | 0 | 0 | 0 | 112.3 | R265 T266 | R265-D269 WeakPolarHBondContact O-CB 3.22Å; R265-D269 VanDerWaalsContact O-CG 3.26Å; R265-D269 PolarHBondContact O-N 2.9Å; T266-D269 PolarHBondContact O-N 3.15Å |
| 270 | Q | 92.7 | Very high | 93.1 | Very high | 143 Ų | 143 | 62.7 Ų | 62.7 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -89.8 | -33.5 | -176.3 | -63.4 | -176.6 | -1.2 | 0 | 0 | 113.9 | T266 | T266-Q270 HydrophobicContact CG2-CG 4.2Å; T266-Q270 VanDerWaalsContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CG 3.19Å; T266-Q270 PolarHBondContact O-N 2.8Å |
| 271 | E | 92 | Very high | 93.3 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -121.2 | -11.5 | -171.5 | -56.9 | 175.3 | -146.4 | 0 | 0 | 113.3 | A41 R231 I267 G275 K278 | A41-E271 VanDerWaalsContact CA-OE1 3.31Å; A41-E271 WeakPolarHBondContact CA-OE1 3.23Å; R231-E271 IonicContact CZ-OE1 3.14Å; R231-E271 IonicContact CZ-OE2 3.78Å; R231-E271 IonicContact NH1-OE1 2.64Å; R231-E271 PolarHBondContact NH1-OE1 2.94Å; R231-E271 IonicContact NH1-OE2 3.94Å; R231-E271 IonicContact NH2-OE1 2.8Å; R231-E271 PolarHBondContact NH2-OE1 3.15Å; R231-E271 IonicContact NH2-OE2 2.78Å; R231-E271 PolarHBondContact NH2-OE2 3.09Å; I267-E271 WeakPolarHBondContact O-CA 3.05Å; I267-E271 WeakPolarHBondContact O-CB 3.25Å; I267-E271 PolarHBondContact O-N 3.08Å; E271-G275 VanDerWaalsContact OE2-CA 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.4Å; E271-K278 IonicContact OE1-NZ 3.27Å; E271-K278 VanDerWaalsContact OE2-CD 3.32Å; E271-K278 WeakPolarHBondContact OE2-CD 3.31Å; E271-K278 WeakPolarHBondContact OE2-CE 3.44Å; E271-K278 IonicContact OE2-NZ 3.29Å; E271-K278 PolarHBondContact OE2-NZ 2.89Å |
| 272 | G | 92.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | trans | 67.4 | -171.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I267 Y268 K274 G275 | I267-G272 PolarHBondContact O-N 3.31Å; Y268-G272 WeakPolarHBondContact O-CA 3.48Å; Y268-G272 PolarHBondContact O-N 2.93Å; G272-K274 PolarHBondContact O-N 3.29Å; G272-K274 VanDerWaalsContact O-N 3.07Å; G272-G275 PolarHBondContact O-N 2.78Å | ||
| 273 | V | 92.4 | Very high | 93.3 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58 | -27 | 178.8 | -177 | 0 | 0 | 0 | 0 | 112.4 | Y268 G275 F276 | Y268-V273 HydrophobicContact CD2-CG2 4.19Å; Y268-V273 HydrophobicContact CE2-CG2 3.79Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.21Å; V273-F276 PolarHBondContact O-N 3.5Å |
| 274 | K | 91.9 | Very high | 93.3 | Very high | 122 Ų | 122 | 53.4 Ų | 53.4 | 53% | 0.53 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -28.8 | 178.8 | -63.8 | 176.5 | -174.1 | 167.3 | 0 | 112.4 | G272 F276 Y277 K278 | G272-K274 PolarHBondContact O-N 3.29Å; G272-K274 VanDerWaalsContact O-N 3.07Å; K274-F276 VanDerWaalsContact C-N 3.27Å; K274-F276 PolarHBondContact O-N 3.46Å; K274-Y277 PolarHBondContact O-N 3.14Å; K274-Y277 VanDerWaalsContact O-N 3.15Å; K274-K278 PolarHBondContact O-N 2.83Å |
| 275 | G | 91.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E271 G272 V273 Y277 K278 | E271-G275 VanDerWaalsContact OE2-CA 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.4Å; G272-G275 PolarHBondContact O-N 2.78Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.21Å; G275-Y277 VanDerWaalsContact C-N 3.26Å; G275-Y277 PolarHBondContact O-N 3.4Å; G275-K278 WeakPolarHBondContact O-CB 3.38Å; G275-K278 WeakPolarHBondContact O-CG 3.34Å; G275-K278 PolarHBondContact O-N 3.39Å |
| 276 | F | 93.6 | Very high | 93 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -29.3 | 178.2 | -66.2 | -78.4 | 0 | 0 | 0 | 113.4 | Y223 P224 T227 V228 V264 I267 Y268 V273 K274 | Y223-F276 WeakPolarHBondContact CD1-O 3.33Å; Y223-F276 WeakPolarHBondContact CE1-O 3.32Å; P224-F276 HydrophobicContact CB-CB 3.89Å; P224-F276 HydrophobicContact CB-CD1 4.02Å; P224-F276 HydrophobicContact CB-CG 4.19Å; P224-F276 HydrophobicContact CG-CB 4.28Å; T227-F276 WeakPolarHBondContact CB-O 3.3Å; T227-F276 PolarHBondContact OG1-O 3.37Å; V228-F276 HydrophobicContact CG2-CD1 4.25Å; V228-F276 HydrophobicContact CG2-CE1 3.93Å; V264-F276 HydrophobicContact CG1-CE1 4.34Å; V264-F276 HydrophobicContact CG1-CZ 4.06Å; V264-F276 WeakPolarHBondContact O-CZ 3.41Å; I267-F276 HydrophobicContact CB-CE1 3.94Å; I267-F276 HydrophobicContact CB-CE2 4.24Å; I267-F276 HydrophobicContact CB-CZ 3.75Å; I267-F276 HydrophobicContact CD1-CD1 4.28Å; I267-F276 HydrophobicContact CD1-CE1 3.85Å; I267-F276 HydrophobicContact CG2-CD1 3.92Å; I267-F276 HydrophobicContact CG2-CD2 3.84Å; I267-F276 HydrophobicContact CG2-CE1 3.73Å; I267-F276 HydrophobicContact CG2-CE2 3.64Å; I267-F276 HydrophobicContact CG2-CG 3.98Å; I267-F276 HydrophobicContact CG2-CZ 3.59Å; Y268-F276 HydrophobicContact CD2-CE2 4.49Å; V273-F276 PolarHBondContact O-N 3.5Å; K274-F276 VanDerWaalsContact C-N 3.27Å; K274-F276 PolarHBondContact O-N 3.46Å |
| 277 | Y | 94 | Very high | 92.7 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 19.5 | -178.3 | -69.5 | -87.6 | 0 | 0 | 0 | 113.2 | Y223 P224 K274 G275 G279 F280 | Y223-Y277 AromaticContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CE1 4.46Å; Y223-Y277 HydrophobicContact CD1-CG 4.38Å; Y223-Y277 HydrophobicContact CG-CD1 4.24Å; P224-Y277 HydrophobicContact CG-CE1 4.28Å; P224-Y277 HydrophobicContact CG-CE2 3.81Å; P224-Y277 WeakPolarHBondContact CG-OH 3.45Å; K274-Y277 PolarHBondContact O-N 3.14Å; K274-Y277 VanDerWaalsContact O-N 3.15Å; G275-Y277 VanDerWaalsContact C-N 3.26Å; G275-Y277 PolarHBondContact O-N 3.4Å; Y277-G279 PolarHBondContact O-N 3.21Å; Y277-F280 HydrophobicContact CD1-CD2 4.03Å; Y277-F280 HydrophobicContact CD1-CG 4.4Å; Y277-F280 VanDerWaalsContact O-CB 3.28Å; Y277-F280 WeakPolarHBondContact O-CB 3.47Å; Y277-F280 PolarHBondContact O-N 3.41Å |
| 278 | K | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 129.4 | 173.9 | -81 | -179.1 | 169 | 178.6 | 0 | 111 | C37 Q38 N40 A41 A43 C46 Y223 E271 K274 G275 F280 | C37-K278 WeakPolarHBondContact O-CB 3.1Å; Q38-K278 WeakPolarHBondContact CG-O 3.33Å; N40-K278 PolarHBondContact O-NZ 3.41Å; A41-K278 PolarHBondContact O-NZ 3.17Å; A43-K278 PolarHBondContact O-NZ 3.3Å; C46-K278 HydrophobicContact CB-CG 3.97Å; C46-K278 CarbonylContact O-C 3.51Å; C46-K278 WeakPolarHBondContact O-CA 3.28Å; Y223-K278 WeakPolarHBondContact CE1-O 3.41Å; Y223-K278 PolarHBondContact OH-O 3.49Å; E271-K278 IonicContact OE1-NZ 3.27Å; E271-K278 VanDerWaalsContact OE2-CD 3.32Å; E271-K278 WeakPolarHBondContact OE2-CD 3.31Å; E271-K278 WeakPolarHBondContact OE2-CE 3.44Å; E271-K278 IonicContact OE2-NZ 3.29Å; E271-K278 PolarHBondContact OE2-NZ 2.89Å; K274-K278 PolarHBondContact O-N 2.83Å; G275-K278 WeakPolarHBondContact O-CB 3.38Å; G275-K278 WeakPolarHBondContact O-CG 3.34Å; G275-K278 PolarHBondContact O-N 3.39Å; K278-F280 VanDerWaalsContact C-N 3.31Å; K278-F280 PolarHBondContact O-N 2.99Å |
| 279 | G | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 6.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C46 H47 Y223 Y277 G281 A282 | C46-G279 PolarHBondContact O-N 3.46Å; H47-G279 CarbonylContact O-C 3.57Å; Y223-G279 PolarHBondContact OH-O 2.99Å; Y277-G279 PolarHBondContact O-N 3.21Å; G279-G281 PolarHBondContact O-N 3.31Å; G279-G281 VanDerWaalsContact O-N 3.14Å; G279-A282 WeakPolarHBondContact O-CB 3.46Å; G279-A282 PolarHBondContact O-N 3.42Å |
| 280 | F | 94 | Very high | 91.7 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.2 | -29.3 | -179.7 | -172.8 | -97.6 | 0 | 0 | 0 | 112.5 | H47 A220 Y223 Y277 K278 A282 L283 V284 | H47-F280 PolarHBondContact O-N 2.82Å; A220-F280 HydrophobicContact CB-CE2 3.95Å; A220-F280 HydrophobicContact CB-CZ 4.03Å; Y223-F280 HydrophobicContact CD1-CD2 4.27Å; Y223-F280 AromaticContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CE2 4.17Å; Y223-F280 HydrophobicContact CE1-CB 4.35Å; Y223-F280 HydrophobicContact CE1-CD2 4.45Å; Y223-F280 HydrophobicContact CE2-CB 4.46Å; Y223-F280 AromaticContact CE2-CD2 3.81Å; Y223-F280 HydrophobicContact CE2-CD2 3.81Å; Y223-F280 AromaticContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CE2 4.43Å; Y223-F280 PolarHBondContact OH-N 3.46Å; Y277-F280 HydrophobicContact CD1-CD2 4.03Å; Y277-F280 HydrophobicContact CD1-CG 4.4Å; Y277-F280 VanDerWaalsContact O-CB 3.28Å; Y277-F280 WeakPolarHBondContact O-CB 3.47Å; Y277-F280 PolarHBondContact O-N 3.41Å; K278-F280 VanDerWaalsContact C-N 3.31Å; K278-F280 PolarHBondContact O-N 2.99Å; F280-A282 PolarHBondContact O-N 2.89Å; F280-L283 HydrophobicContact CD2-CD2 3.98Å; F280-L283 HydrophobicContact CE2-CD2 3.72Å; F280-L283 WeakPolarHBondContact O-CB 3.28Å; F280-L283 PolarHBondContact O-N 3.15Å; F280-L283 VanDerWaalsContact O-N 3.11Å; F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CE1-CG2 3.44Å; F280-V284 VanDerWaalsContact CE1-CG2 3.44Å; F280-V284 HydrophobicContact CZ-CG2 4.17Å; F280-V284 PolarHBondContact O-N 2.95Å |
| 281 | G | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -32.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H47 R48 G279 V284 L285 | H47-G281 WeakPolarHBondContact O-CA 3.34Å; H47-G281 PolarHBondContact O-N 2.76Å; R48-G281 WeakPolarHBondContact O-CA 3.41Å; R48-G281 PolarHBondContact O-N 2.84Å; G279-G281 PolarHBondContact O-N 3.31Å; G279-G281 VanDerWaalsContact O-N 3.14Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 PolarHBondContact O-N 3.49Å |
| 282 | A | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.7 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L33 R34 L53 G279 F280 L285 Q286 | L33-A282 HydrophobicContact CB-CB 4.21Å; R34-A282 HydrophobicContact CB-CB 3.83Å; L53-A282 HydrophobicContact CD1-CB 3.64Å; G279-A282 WeakPolarHBondContact O-CB 3.46Å; G279-A282 PolarHBondContact O-N 3.42Å; F280-A282 PolarHBondContact O-N 2.89Å; A282-L285 PolarHBondContact O-N 3.38Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 PolarHBondContact O-N 3.39Å |
| 283 | L | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -50 | 171.4 | 171.2 | 61.7 | 0 | 0 | 0 | 110.6 | L216 E219 Y223 F280 L285 Q286 Y287 | L216-L283 HydrophobicContact CD1-CG 4.32Å; E219-L283 HydrophobicContact CB-CD2 4.24Å; E219-L283 WeakPolarHBondContact OE2-CD1 3.3Å; Y223-L283 HydrophobicContact CD2-CD2 3.7Å; Y223-L283 HydrophobicContact CE2-CB 4.31Å; Y223-L283 HydrophobicContact CE2-CD2 3.84Å; F280-L283 HydrophobicContact CD2-CD2 3.98Å; F280-L283 HydrophobicContact CE2-CD2 3.72Å; F280-L283 WeakPolarHBondContact O-CB 3.28Å; F280-L283 PolarHBondContact O-N 3.15Å; F280-L283 VanDerWaalsContact O-N 3.11Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.47Å; L283-Q286 WeakPolarHBondContact O-CB 3.45Å; L283-Q286 PolarHBondContact O-N 3.26Å; L283-Y287 HydrophobicContact CD1-CD2 3.63Å; L283-Y287 HydrophobicContact CD1-CE2 3.28Å; L283-Y287 HydrophobicContact CG-CD2 4.44Å; L283-Y287 HydrophobicContact CG-CE2 4.41Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.45Å |
| 284 | V | 92.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 24% | 0.242 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | P50 F280 G281 Q286 Y287 M288 | P50-V284 HydrophobicContact CG-CG1 4.31Å; F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CE1-CG2 3.44Å; F280-V284 VanDerWaalsContact CE1-CG2 3.44Å; F280-V284 HydrophobicContact CZ-CG2 4.17Å; F280-V284 PolarHBondContact O-N 2.95Å; G281-V284 PolarHBondContact O-N 2.91Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.16Å; V284-Y287 PolarHBondContact O-N 3.23Å; V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 VanDerWaalsContact O-CG 3.26Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.45Å |
| 285 | L | 92.2 | Very high | 89.7 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59 | -44 | 178.6 | -173.3 | 57.8 | 0 | 0 | 0 | 112.4 | F30 P50 G281 A282 L283 Y287 M288 I289 | F30-L285 HydrophobicContact CD1-CB 4.27Å; F30-L285 HydrophobicContact CD1-CD2 4.01Å; F30-L285 HydrophobicContact CD1-CG 4.01Å; F30-L285 HydrophobicContact CE1-CB 4.4Å; F30-L285 HydrophobicContact CE1-CD2 3.66Å; F30-L285 HydrophobicContact CE1-CG 3.66Å; P50-L285 HydrophobicContact CB-CB 3.92Å; P50-L285 HydrophobicContact CB-CD1 4.19Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 PolarHBondContact O-N 3.49Å; A282-L285 PolarHBondContact O-N 3.38Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.47Å; L285-Y287 VanDerWaalsContact C-N 3.35Å; L285-Y287 PolarHBondContact O-N 3.34Å; L285-M288 PolarHBondContact O-N 2.99Å; L285-I289 HydrophobicContact CD1-CD1 4.07Å; L285-I289 HydrophobicContact CG-CD1 4.06Å; L285-I289 WeakPolarHBondContact O-CG1 3.25Å; L285-I289 PolarHBondContact O-N 3.39Å |
| 286 | Q | 91.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.2 | -50.4 | 175.7 | -175.2 | -176.2 | -11.1 | 0 | 0 | 111.3 | F30 A282 L283 V284 I289 H290 | F30-Q286 HydrophobicContact CB-CB 3.69Å; F30-Q286 HydrophobicContact CB-CG 4.05Å; F30-Q286 HydrophobicContact CD1-CB 4.43Å; F30-Q286 HydrophobicContact CD2-CB 4.04Å; F30-Q286 HydrophobicContact CD2-CG 3.98Å; F30-Q286 HydrophobicContact CG-CB 3.76Å; F30-Q286 HydrophobicContact CG-CG 4.16Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 PolarHBondContact O-N 3.39Å; L283-Q286 WeakPolarHBondContact O-CB 3.45Å; L283-Q286 PolarHBondContact O-N 3.26Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.16Å; Q286-I289 PolarHBondContact O-N 3.33Å; Q286-H290 PolarHBondContact O-CD2 3.35Å; Q286-H290 PolarHBondContact O-N 3.28Å |
| 287 | Y | 88.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.7 | -35.9 | -177.8 | -83.5 | -104.9 | 0 | 0 | 0 | 112.4 | V2 F212 N215 L216 E219 L283 V284 L285 I289 H290 L291 | V2-Y287 HydrophobicContact CG2-CE1 3.75Å; F212-Y287 HydrophobicContact CD1-CD1 4.05Å; F212-Y287 HydrophobicContact CD1-CE1 4.13Å; N215-Y287 PolarHBondContact ND2-OH 2.81Å; L216-Y287 HydrophobicContact CB-CD1 3.77Å; L216-Y287 HydrophobicContact CB-CE1 3.64Å; L216-Y287 HydrophobicContact CB-CG 4.43Å; L216-Y287 HydrophobicContact CD1-CD1 4.07Å; L216-Y287 HydrophobicContact CD1-CD2 3.93Å; L216-Y287 HydrophobicContact CD1-CE1 4.29Å; L216-Y287 HydrophobicContact CD1-CE2 4.18Å; L216-Y287 HydrophobicContact CD1-CG 3.85Å; L216-Y287 HydrophobicContact CD2-CD1 4.36Å; L216-Y287 HydrophobicContact CD2-CG 4.49Å; L216-Y287 HydrophobicContact CG-CD1 4.28Å; L216-Y287 HydrophobicContact CG-CE1 4.49Å; L216-Y287 HydrophobicContact CG-CG 4.48Å; E219-Y287 VanDerWaalsContact CD-OH 3.26Å; E219-Y287 PolarHBondContact OE1-OH 2.9Å; E219-Y287 VanDerWaalsContact OE1-OH 3.11Å; L283-Y287 HydrophobicContact CD1-CD2 3.63Å; L283-Y287 HydrophobicContact CD1-CE2 3.28Å; L283-Y287 HydrophobicContact CG-CD2 4.44Å; L283-Y287 HydrophobicContact CG-CE2 4.41Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.45Å; V284-Y287 PolarHBondContact O-N 3.23Å; L285-Y287 VanDerWaalsContact C-N 3.35Å; L285-Y287 PolarHBondContact O-N 3.34Å; Y287-I289 VanDerWaalsContact C-N 3.3Å; Y287-I289 PolarHBondContact O-N 2.85Å; Y287-H290 PolarHBondContact O-N 3.38Å; Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 2.89Å |
| 288 | M | 89.8 | Confident | 87.9 | Confident | 115 Ų | 115 | 41.6 Ų | 41.6 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.7 | -42.5 | 173.7 | -71.5 | -62.3 | -68.4 | 0 | 0 | 111.3 | V284 L285 A292 | V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 VanDerWaalsContact O-CG 3.26Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.45Å; L285-M288 PolarHBondContact O-N 2.99Å; M288-A292 VanDerWaalsContact O-CB 3.28Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.99Å |
| 289 | I | 90.1 | Very high | 87.3 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.4 | -44.5 | 178.4 | -70.3 | 167.3 | 0 | 0 | 0 | 111.3 | F30 L285 Q286 Y287 L291 A292 L293 | F30-I289 HydrophobicContact CE1-CD1 3.62Å; F30-I289 HydrophobicContact CE2-CD1 4.03Å; F30-I289 HydrophobicContact CZ-CD1 3.18Å; F30-I289 HydrophobicContact CZ-CG1 4.5Å; L285-I289 HydrophobicContact CD1-CD1 4.07Å; L285-I289 HydrophobicContact CG-CD1 4.06Å; L285-I289 WeakPolarHBondContact O-CG1 3.25Å; L285-I289 PolarHBondContact O-N 3.39Å; Q286-I289 PolarHBondContact O-N 3.33Å; Y287-I289 VanDerWaalsContact C-N 3.3Å; Y287-I289 PolarHBondContact O-N 2.85Å; I289-L291 VanDerWaalsContact C-N 3.29Å; I289-L291 PolarHBondContact O-N 2.89Å; I289-A292 PolarHBondContact O-N 3.37Å; I289-L293 WeakPolarHBondContact O-CB 3.37Å; I289-L293 PolarHBondContact O-N 3.25Å |
| 290 | H | 83.3 | Confident | 86.9 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.4 | -77.4 | -144 | 0 | 0 | 0 | 111 | F212 Q286 Y287 L293 V294 | F212-H290 HydrophobicContact CE1-CB 3.8Å; F212-H290 AromaticContact CE1-ND1 3.85Å; F212-H290 HydrophobicContact CZ-CB 4.17Å; Q286-H290 PolarHBondContact O-CD2 3.35Å; Q286-H290 PolarHBondContact O-N 3.28Å; Y287-H290 PolarHBondContact O-N 3.38Å; H290-L293 PolarHBondContact O-N 2.61Å; H290-V294 VanDerWaalsContact O-CG2 3.3Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 2.85Å |
| 291 | L | 84.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.9 | -171.9 | 62.8 | 0 | 0 | 0 | 111.5 | F209 Y287 I289 L293 V294 H295 | F209-L291 HydrophobicContact CD2-CD1 3.8Å; F209-L291 HydrophobicContact CE2-CD1 4.06Å; F209-L291 HydrophobicContact CE2-CD2 4.4Å; Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 2.89Å; I289-L291 VanDerWaalsContact C-N 3.29Å; I289-L291 PolarHBondContact O-N 2.89Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L291-V294 PolarHBondContact O-N 2.6Å; L291-H295 WeakPolarHBondContact CD1-CE1 3.37Å; L291-H295 VanDerWaalsContact CG-CE1 3.48Å; L291-H295 WeakPolarHBondContact CG-CE1 3.14Å; L291-H295 WeakPolarHBondContact O-CB 3.15Å; L291-H295 PolarHBondContact O-N 2.81Å; L291-H295 PolarHBondContact O-ND1 3.45Å |
| 292 | A | 88.1 | Confident | 85.5 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M288 I289 H295 G296 | M288-A292 VanDerWaalsContact O-CB 3.28Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.99Å; I289-A292 PolarHBondContact O-N 3.37Å; A292-H295 PolarHBondContact O-N 3.28Å; A292-G296 PolarHBondContact O-N 3.07Å |
| 293 | L | 85.7 | Confident | 85.1 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.8 | -176.8 | 68.4 | 0 | 0 | 0 | 111.1 | L26 I289 H290 L291 H295 G296 L297 | L26-L293 HydrophobicContact CD1-CD2 4.29Å; I289-L293 WeakPolarHBondContact O-CB 3.37Å; I289-L293 PolarHBondContact O-N 3.25Å; H290-L293 PolarHBondContact O-N 2.61Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L293-H295 PolarHBondContact O-N 3.4Å; L293-G296 PolarHBondContact O-N 3.3Å; L293-L297 HydrophobicContact CG-CD1 4.14Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.8Å |
| 294 | V | 77.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | F4 F205 V208 F212 H290 L291 G296 R298 | F4-V294 HydrophobicContact CZ-CG2 4.11Å; F205-V294 HydrophobicContact CE2-CG1 4.06Å; V208-V294 HydrophobicContact CG1-CG1 3.77Å; V208-V294 HydrophobicContact CG1-CG2 4.11Å; F212-V294 HydrophobicContact CE2-CG2 3.88Å; F212-V294 HydrophobicContact CZ-CG2 4.34Å; H290-V294 VanDerWaalsContact O-CG2 3.3Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 2.85Å; L291-V294 PolarHBondContact O-N 2.6Å; V294-G296 VanDerWaalsContact C-N 3.35Å; V294-R298 WeakPolarHBondContact O-CB 3.15Å; V294-R298 PolarHBondContact O-N 3.05Å |
| 295 | H | 82.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.6 | -79.2 | 89.2 | 0 | 0 | 0 | 112.4 | F205 L291 A292 L293 R298 K299 | F205-H295 AromaticContact CZ-CD2 3.7Å; F205-H295 AromaticContact CZ-CE1 3.62Å; F205-H295 AromaticContact CZ-NE2 3.36Å; F205-H295 WeakPolarHBondContact CZ-NE2 3.45Å; L291-H295 WeakPolarHBondContact CD1-CE1 3.37Å; L291-H295 VanDerWaalsContact CG-CE1 3.48Å; L291-H295 WeakPolarHBondContact CG-CE1 3.14Å; L291-H295 WeakPolarHBondContact O-CB 3.15Å; L291-H295 PolarHBondContact O-N 2.81Å; L291-H295 PolarHBondContact O-ND1 3.45Å; A292-H295 PolarHBondContact O-N 3.28Å; L293-H295 PolarHBondContact O-N 3.4Å; H295-R298 PolarHBondContact O-N 3.37Å; H295-K299 WeakPolarHBondContact O-CG 3.4Å; H295-K299 PolarHBondContact O-N 3.08Å |
| 296 | G | 83.4 | Confident | 83.9 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -51.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A292 L293 V294 R298 K299 I300 | A292-G296 PolarHBondContact O-N 3.07Å; L293-G296 PolarHBondContact O-N 3.3Å; V294-G296 VanDerWaalsContact C-N 3.35Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 3.41Å; G296-K299 PolarHBondContact O-N 3.26Å; G296-K299 VanDerWaalsContact O-N 3.1Å; G296-I300 WeakPolarHBondContact O-CG1 3.1Å; G296-I300 PolarHBondContact O-N 2.77Å |
| 297 | L | 81.1 | Confident | 83.5 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 174.9 | -70.9 | 172.7 | 0 | 0 | 0 | 111.6 | L293 I300 F301 | L293-L297 HydrophobicContact CG-CD1 4.14Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.8Å; L297-I300 PolarHBondContact O-N 3.17Å; L297-F301 WeakPolarHBondContact O-CB 3.46Å; L297-F301 PolarHBondContact O-N 3.47Å |
| 298 | R | 76.7 | Confident | 83.2 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 38% | 0.381 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 174.4 | -173 | -173.9 | 90.6 | 174.4 | 6.5 | 112.2 | F205 V294 H295 G296 I300 F301 L302 | F205-R298 HydrophobicContact CD2-CG 4.33Å; F205-R298 VanDerWaalsContact CE1-NH1 3.25Å; V294-R298 WeakPolarHBondContact O-CB 3.15Å; V294-R298 PolarHBondContact O-N 3.05Å; H295-R298 PolarHBondContact O-N 3.37Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 3.41Å; R298-I300 VanDerWaalsContact C-N 3.29Å; R298-I300 PolarHBondContact O-N 3.04Å; R298-F301 PolarHBondContact O-N 3.25Å; R298-L302 HydrophobicContact CG-CD1 3.98Å; R298-L302 HydrophobicContact CG-CG 4.4Å; R298-L302 WeakPolarHBondContact O-CB 3.38Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.23Å; R298-L302 PolarHBondContact O-N 2.76Å |
| 299 | K | 80.8 | Confident | 82.8 | Confident | 155 Ų | 155 | 86.1 Ų | 86.1 | 67% | 0.674 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 179 | -77.4 | -175.6 | 177.1 | -175.7 | 0 | 111.2 | H295 G296 H303 | H295-K299 WeakPolarHBondContact O-CG 3.4Å; H295-K299 PolarHBondContact O-N 3.08Å; G296-K299 PolarHBondContact O-N 3.26Å; G296-K299 VanDerWaalsContact O-N 3.1Å; K299-H303 WeakPolarHBondContact O-CB 3.43Å; K299-H303 PolarHBondContact O-N 3.44Å |
| 300 | I | 83.8 | Confident | 82.4 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 177.5 | -66.1 | 165.2 | 0 | 0 | 0 | 110.4 | G296 L297 R298 L302 H303 L304 | G296-I300 WeakPolarHBondContact O-CG1 3.1Å; G296-I300 PolarHBondContact O-N 2.77Å; L297-I300 PolarHBondContact O-N 3.17Å; R298-I300 VanDerWaalsContact C-N 3.29Å; R298-I300 PolarHBondContact O-N 3.04Å; I300-L302 PolarHBondContact O-N 3.2Å; I300-H303 WeakPolarHBondContact O-CB 3.48Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.13Å; I300-L304 HydrophobicContact CG2-CD1 4.05Å; I300-L304 HydrophobicContact CG2-CG 4.42Å; I300-L304 WeakPolarHBondContact O-CG 2.93Å; I300-L304 PolarHBondContact O-N 3.29Å |
| 301 | F | 80.6 | Confident | 82.2 | Confident | 131 Ų | 131 | 89.3 Ų | 89.3 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.3 | -47.2 | 179.6 | -176.5 | -92.1 | 0 | 0 | 0 | 112.2 | L297 R298 H303 L304 E305 | L297-F301 WeakPolarHBondContact O-CB 3.46Å; L297-F301 PolarHBondContact O-N 3.47Å; R298-F301 PolarHBondContact O-N 3.25Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 2.84Å; F301-L304 PolarHBondContact O-N 2.94Å; F301-E305 WeakPolarHBondContact O-CB 3.35Å; F301-E305 PolarHBondContact O-N 3.5Å |
| 302 | L | 78.7 | Confident | 81.9 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.2 | -32 | 177.6 | -68.4 | 175.2 | 0 | 0 | 0 | 112.7 | F201 R298 I300 R306 | F201-L302 HydrophobicContact CZ-CD2 3.73Å; R298-L302 HydrophobicContact CG-CD1 3.98Å; R298-L302 HydrophobicContact CG-CG 4.4Å; R298-L302 WeakPolarHBondContact O-CB 3.38Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.23Å; R298-L302 PolarHBondContact O-N 2.76Å; I300-L302 PolarHBondContact O-N 3.2Å; L302-R306 VanDerWaalsContact O-CB 3.28Å; L302-R306 WeakPolarHBondContact O-CB 3.16Å; L302-R306 PolarHBondContact O-N 3.29Å |
| 303 | H | 84.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 47% | 0.468 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 174.4 | -171.4 | 71.1 | 0 | 0 | 0 | 111.2 | K299 I300 F301 R306 N307 | K299-H303 WeakPolarHBondContact O-CB 3.43Å; K299-H303 PolarHBondContact O-N 3.44Å; I300-H303 WeakPolarHBondContact O-CB 3.48Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.13Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 2.84Å; H303-R306 PolarHBondContact O-N 3.46Å; H303-N307 PolarHBondContact CD2-ND2 3.37Å; H303-N307 PolarHBondContact NE2-ND2 2.89Å; H303-N307 WeakPolarHBondContact O-CB 3.42Å; H303-N307 PolarHBondContact O-N 3.24Å; H303-N307 PolarHBondContact O-ND2 3.23Å; H303-N307 PolarHBondContact O-OD1 2.91Å |
| 304 | L | 84.5 | Confident | 81.3 | Confident | 106 Ų | 106 | 91.6 Ų | 91.6 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 176 | -67.1 | 174 | 0 | 0 | 0 | 112.4 | I300 F301 N307 K308 | I300-L304 HydrophobicContact CG2-CD1 4.05Å; I300-L304 HydrophobicContact CG2-CG 4.42Å; I300-L304 WeakPolarHBondContact O-CG 2.93Å; I300-L304 PolarHBondContact O-N 3.29Å; F301-L304 PolarHBondContact O-N 2.94Å; L304-N307 PolarHBondContact O-N 3.25Å; L304-K308 PolarHBondContact O-N 2.95Å |
| 305 | E | 82 | Confident | 81.4 | Confident | 106 Ų | 106 | 96.8 Ų | 96.8 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 177.5 | -173.7 | 172.1 | -158.4 | 0 | 0 | 111.6 | F301 K308 S309 | F301-E305 WeakPolarHBondContact O-CB 3.35Å; F301-E305 PolarHBondContact O-N 3.5Å; E305-K308 PolarHBondContact O-N 3.35Å; E305-S309 PolarHBondContact O-N 2.87Å |
| 306 | R | 84.3 | Confident | 81.3 | Confident | 161 Ų | 161 | 97.3 Ų | 97.3 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 173.7 | -172.7 | -176 | -59.7 | 155.4 | 1.8 | 111.6 | L302 H303 K308 S309 S310 | L302-R306 VanDerWaalsContact O-CB 3.28Å; L302-R306 WeakPolarHBondContact O-CB 3.16Å; L302-R306 PolarHBondContact O-N 3.29Å; H303-R306 PolarHBondContact O-N 3.46Å; R306-K308 VanDerWaalsContact C-N 3.34Å; R306-K308 PolarHBondContact O-N 2.95Å; R306-S309 PolarHBondContact O-N 3.3Å; R306-S310 PolarHBondContact O-N 2.88Å; R306-S310 PolarHBondContact O-OG 2.81Å |
| 307 | N | 84.2 | Confident | 81.2 | Confident | 62 Ų | 62 | 100 Ų | 100 | 33% | 0.332 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 179.6 | -67.6 | -7.4 | 0 | 0 | 0 | 111.8 | H303 L304 S310 N311 | H303-N307 PolarHBondContact CD2-ND2 3.37Å; H303-N307 PolarHBondContact NE2-ND2 2.89Å; H303-N307 WeakPolarHBondContact O-CB 3.42Å; H303-N307 PolarHBondContact O-N 3.24Å; H303-N307 PolarHBondContact O-ND2 3.23Å; H303-N307 PolarHBondContact O-OD1 2.91Å; L304-N307 PolarHBondContact O-N 3.25Å; N307-S310 PolarHBondContact O-N 3.45Å; N307-N311 WeakPolarHBondContact O-CB 3.49Å; N307-N311 VanDerWaalsContact O-CG 3.28Å; N307-N311 PolarHBondContact O-N 3.26Å; N307-N311 PolarHBondContact O-OD1 2.83Å |
| 308 | K | 82.5 | Confident | 81.3 | Confident | 167 Ų | 167 | 102.9 Ų | 102.9 | 73% | 0.726 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 174.9 | -171.1 | 176.7 | -178.9 | 179.8 | 0 | 111.9 | L304 E305 R306 N311 S312 | L304-K308 PolarHBondContact O-N 2.95Å; E305-K308 PolarHBondContact O-N 3.35Å; R306-K308 VanDerWaalsContact C-N 3.34Å; R306-K308 PolarHBondContact O-N 2.95Å; K308-N311 PolarHBondContact O-N 2.97Å; K308-S312 PolarHBondContact O-N 3.28Å; K308-S312 VanDerWaalsContact O-N 3.07Å; K308-S312 PolarHBondContact O-OG 2.8Å |
| 309 | S | 81.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 112 | E305 R306 S312 V313 | E305-S309 PolarHBondContact O-N 2.87Å; R306-S309 PolarHBondContact O-N 3.3Å; S309-S312 WeakPolarHBondContact CA-OG 3.35Å; S309-S312 PolarHBondContact O-N 3.4Å; S309-S312 PolarHBondContact O-OG 3.48Å; S309-V313 WeakPolarHBondContact O-CG2 3.19Å; S309-V313 PolarHBondContact O-N 2.93Å |
| 310 | S | 80.8 | Confident | 81.5 | Confident | 60 Ų | 60 | 99 Ų | 99 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.1 | -69 | 0 | 0 | 0 | 0 | 111.9 | R306 N307 S312 V313 E314 | R306-S310 PolarHBondContact O-N 2.88Å; R306-S310 PolarHBondContact O-OG 2.81Å; N307-S310 PolarHBondContact O-N 3.45Å; S310-S312 PolarHBondContact O-N 2.75Å; S310-V313 PolarHBondContact O-N 3.44Å; S310-E314 PolarHBondContact O-N 2.95Å |
| 311 | N | 79 | Confident | 81.4 | Confident | 99 Ų | 99 | 102 Ų | 102 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 178.2 | -71.1 | -4.5 | 0 | 0 | 0 | 112.2 | N307 K308 V313 E314 E315 | N307-N311 WeakPolarHBondContact O-CB 3.49Å; N307-N311 VanDerWaalsContact O-CG 3.28Å; N307-N311 PolarHBondContact O-N 3.26Å; N307-N311 PolarHBondContact O-OD1 2.83Å; K308-N311 PolarHBondContact O-N 2.97Å; N311-V313 VanDerWaalsContact C-N 3.32Å; N311-V313 PolarHBondContact O-N 2.75Å; N311-E314 PolarHBondContact O-N 3.02Å; N311-E315 WeakPolarHBondContact O-CB 3.42Å; N311-E315 PolarHBondContact O-N 3.41Å |
| 312 | S | 79.1 | Confident | 81.5 | Confident | 63 Ų | 63 | 98.5 Ų | 98.5 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -31.9 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | K308 S309 S310 S316 | K308-S312 PolarHBondContact O-N 3.28Å; K308-S312 VanDerWaalsContact O-N 3.07Å; K308-S312 PolarHBondContact O-OG 2.8Å; S309-S312 WeakPolarHBondContact CA-OG 3.35Å; S309-S312 PolarHBondContact O-N 3.4Å; S309-S312 PolarHBondContact O-OG 3.48Å; S310-S312 PolarHBondContact O-N 2.75Å; S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.06Å; S312-S316 VanDerWaalsContact O-N 3.13Å |
| 313 | V | 79.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 99 Ų | 99 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.6 | -41 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | S309 S310 N311 T317 | S309-V313 WeakPolarHBondContact O-CG2 3.19Å; S309-V313 PolarHBondContact O-N 2.93Å; S310-V313 PolarHBondContact O-N 3.44Å; N311-V313 VanDerWaalsContact C-N 3.32Å; N311-V313 PolarHBondContact O-N 2.75Å; V313-T317 WeakPolarHBondContact O-CB 3.08Å; V313-T317 PolarHBondContact O-N 3.25Å; V313-T317 PolarHBondContact O-OG1 2.91Å |
| 314 | E | 81.3 | Confident | 80.9 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.5 | -77.1 | -170.4 | -176.6 | 0 | 0 | 112.1 | S310 N311 T317 R318 | S310-E314 PolarHBondContact O-N 2.95Å; N311-E314 PolarHBondContact O-N 3.02Å; E314-T317 PolarHBondContact O-N 3.15Å; E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 IonicContact OE2-NH2 3.2Å; E314-R318 PolarHBondContact OE2-NH2 3.39Å |
| 315 | E | 80 | Confident | 80.7 | Confident | 128 Ų | 128 | 99.6 Ų | 99.6 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -48.9 | 178.2 | -164.8 | 164.7 | -152.7 | 0 | 0 | 111 | N311 T317 R318 D319 | N311-E315 WeakPolarHBondContact O-CB 3.42Å; N311-E315 PolarHBondContact O-N 3.41Å; E315-T317 VanDerWaalsContact C-N 3.3Å; E315-T317 PolarHBondContact O-N 3.45Å; E315-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact O-N 3.15Å; E315-D319 PolarHBondContact O-N 3.2Å |
| 316 | S | 79.7 | Confident | 80.7 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | S312 D319 V320 | S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.06Å; S312-S316 VanDerWaalsContact O-N 3.13Å; S316-D319 PolarHBondContact O-N 3.48Å; S316-V320 WeakPolarHBondContact O-CG2 3.35Å; S316-V320 PolarHBondContact O-N 3.23Å; S316-V320 VanDerWaalsContact O-N 3.1Å |
| 317 | T | 81.6 | Confident | 80.1 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | V313 E314 E315 F321 | V313-T317 WeakPolarHBondContact O-CB 3.08Å; V313-T317 PolarHBondContact O-N 3.25Å; V313-T317 PolarHBondContact O-OG1 2.91Å; E314-T317 PolarHBondContact O-N 3.15Å; E315-T317 VanDerWaalsContact C-N 3.3Å; E315-T317 PolarHBondContact O-N 3.45Å; T317-F321 PolarHBondContact O-N 3.34Å |
| 318 | R | 83.7 | Confident | 79.5 | Confident | 165 Ų | 165 | 100.9 Ų | 100.9 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 174.9 | -74.4 | 178.4 | -170 | 147.3 | 13.7 | 111.5 | E314 E315 F321 S322 | E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 IonicContact OE2-NH2 3.2Å; E314-R318 PolarHBondContact OE2-NH2 3.39Å; E315-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact O-N 3.15Å; R318-F321 PolarHBondContact O-N 2.76Å; R318-S322 WeakPolarHBondContact O-CB 3.46Å; R318-S322 PolarHBondContact O-N 2.78Å; R318-S322 PolarHBondContact O-OG 3.46Å |
| 319 | D | 82 | Confident | 79.1 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 177.2 | -67.9 | -18.2 | 0 | 0 | 0 | 111.4 | E315 S316 F321 S322 A323 | E315-D319 PolarHBondContact O-N 3.2Å; S316-D319 PolarHBondContact O-N 3.48Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.43Å; D319-S322 PolarHBondContact O-N 2.84Å; D319-S322 PolarHBondContact O-OG 3.2Å; D319-A323 PolarHBondContact O-N 2.74Å |
| 320 | V | 78.2 | Confident | 78.3 | Confident | 78 Ų | 78 | 98.2 Ų | 98.2 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.3 | 176 | 0 | 0 | 0 | 0 | 111.1 | S316 S322 A323 F324 | S316-V320 WeakPolarHBondContact O-CG2 3.35Å; S316-V320 PolarHBondContact O-N 3.23Å; S316-V320 VanDerWaalsContact O-N 3.1Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.93Å; V320-A323 PolarHBondContact O-N 3.26Å; V320-F324 HydrophobicContact CG1-CD2 3.75Å; V320-F324 HydrophobicContact CG1-CE2 3.87Å; V320-F324 WeakPolarHBondContact O-CD2 3.32Å; V320-F324 PolarHBondContact O-N 3.45Å |
| 321 | F | 81.6 | Confident | 77.2 | Confident | 162 Ų | 162 | 101.5 Ų | 101.5 | 71% | 0.711 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | -179.6 | -151.6 | -89.7 | 0 | 0 | 0 | 112.4 | T317 R318 D319 F324 S325 | T317-F321 PolarHBondContact O-N 3.34Å; R318-F321 PolarHBondContact O-N 2.76Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.43Å; F321-F324 PolarHBondContact O-N 2.99Å; F321-S325 WeakPolarHBondContact O-CB 3.48Å; F321-S325 PolarHBondContact O-N 3.26Å |
| 322 | S | 82.8 | Confident | 76.1 | Confident | 57 Ų | 57 | 100.5 Ų | 100.5 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 174.9 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | R318 D319 V320 F324 S325 D326 | R318-S322 WeakPolarHBondContact O-CB 3.46Å; R318-S322 PolarHBondContact O-N 2.78Å; R318-S322 PolarHBondContact O-OG 3.46Å; D319-S322 PolarHBondContact O-N 2.84Å; D319-S322 PolarHBondContact O-OG 3.2Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.93Å; S322-F324 VanDerWaalsContact C-N 3.33Å; S322-F324 PolarHBondContact O-N 3.23Å; S322-S325 WeakPolarHBondContact O-CB 3.22Å; S322-S325 PolarHBondContact O-N 3.32Å; S322-S325 VanDerWaalsContact O-N 3.12Å; S322-D326 PolarHBondContact O-N 3.26Å |
| 323 | A | 77.9 | Confident | 75 | Confident | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D319 V320 A327 | D319-A323 PolarHBondContact O-N 2.74Å; V320-A323 PolarHBondContact O-N 3.26Å; A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.4Å |
| 324 | F | 73.8 | Confident | 73.7 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 174 | -95.6 | -79.5 | 0 | 0 | 0 | 112.7 | V320 F321 S322 R328 | V320-F324 HydrophobicContact CG1-CD2 3.75Å; V320-F324 HydrophobicContact CG1-CE2 3.87Å; V320-F324 WeakPolarHBondContact O-CD2 3.32Å; V320-F324 PolarHBondContact O-N 3.45Å; F321-F324 PolarHBondContact O-N 2.99Å; S322-F324 VanDerWaalsContact C-N 3.33Å; S322-F324 PolarHBondContact O-N 3.23Å; F324-R328 WeakPolarHBondContact O-CB 3.18Å; F324-R328 PolarHBondContact O-N 3.03Å; F324-R328 VanDerWaalsContact O-N 3.12Å |
| 325 | S | 80.4 | Confident | 72.2 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -44.7 | 176.2 | -174 | 0 | 0 | 0 | 0 | 111.5 | F321 S322 R328 S329 | F321-S325 WeakPolarHBondContact O-CB 3.48Å; F321-S325 PolarHBondContact O-N 3.26Å; S322-S325 WeakPolarHBondContact O-CB 3.22Å; S322-S325 PolarHBondContact O-N 3.32Å; S322-S325 VanDerWaalsContact O-N 3.12Å; S325-R328 PolarHBondContact O-N 3.43Å; S325-S329 PolarHBondContact O-N 3.47Å |
| 326 | D | 81.4 | Confident | 70.8 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -44.3 | 178.7 | -70.8 | -11.6 | 0 | 0 | 0 | 111.4 | S322 R328 S329 L330 | S322-D326 PolarHBondContact O-N 3.26Å; D326-R328 VanDerWaalsContact C-N 3.31Å; D326-R328 PolarHBondContact O-N 3.14Å; D326-S329 PolarHBondContact O-N 3.28Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.78Å; D326-L330 PolarHBondContact O-N 3.03Å |
| 327 | A | 71.5 | Confident | 69.3 | Low | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A323 L330 Q331 | A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.4Å; A327-L330 PolarHBondContact O-N 3.25Å; A327-Q331 PolarHBondContact O-N 2.75Å; A327-Q331 VanDerWaalsContact O-N 3.1Å |
| 328 | R | 73 | Confident | 67.8 | Low | 201 Ų | 201 | 113.3 Ų | 113.3 | 76% | 0.758 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.4 | -37 | 176.6 | -168.2 | 179.5 | -74 | -178.1 | -2.7 | 111.8 | F324 S325 D326 Q331 S332 | F324-R328 WeakPolarHBondContact O-CB 3.18Å; F324-R328 PolarHBondContact O-N 3.03Å; F324-R328 VanDerWaalsContact O-N 3.12Å; S325-R328 PolarHBondContact O-N 3.43Å; D326-R328 VanDerWaalsContact C-N 3.31Å; D326-R328 PolarHBondContact O-N 3.14Å; R328-Q331 PolarHBondContact O-N 2.82Å; R328-S332 PolarHBondContact O-N 2.83Å; R328-S332 VanDerWaalsContact O-N 3.09Å |
| 329 | S | 73 | Confident | 66.1 | Low | 62 Ų | 62 | 112.1 Ų | 112.1 | 43% | 0.434 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.3 | -36.4 | 176.8 | 79 | 0 | 0 | 0 | 0 | 113.1 | S325 D326 S333 | S325-S329 PolarHBondContact O-N 3.47Å; D326-S329 PolarHBondContact O-N 3.28Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.78Å; S329-S333 PolarHBondContact O-N 2.75Å; S329-S333 VanDerWaalsContact O-N 3.1Å; S329-S333 PolarHBondContact O-OG 2.77Å |
| 330 | L | 64.4 | Low | 64.4 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 63% | 0.628 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -40.5 | 175.8 | -72.8 | 171.5 | 0 | 0 | 0 | 111.9 | D326 A327 S332 S333 S334 | D326-L330 PolarHBondContact O-N 3.03Å; A327-L330 PolarHBondContact O-N 3.25Å; L330-S332 VanDerWaalsContact C-N 3.34Å; L330-S333 PolarHBondContact O-N 2.84Å; L330-S333 VanDerWaalsContact O-N 3.16Å; L330-S334 PolarHBondContact O-N 3.44Å; L330-S334 PolarHBondContact O-OG 3.35Å |
| 331 | Q | 57.2 | Low | 63 | Low | 129 Ų | 129 | 119.5 Ų | 119.5 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.4 | -35 | 177.1 | -164.7 | 165.2 | -5.7 | 0 | 0 | 112.1 | A327 R328 S333 S334 H335 | A327-Q331 PolarHBondContact O-N 2.75Å; A327-Q331 VanDerWaalsContact O-N 3.1Å; R328-Q331 PolarHBondContact O-N 2.82Å; Q331-S333 VanDerWaalsContact C-N 3.32Å; Q331-S334 WeakPolarHBondContact CA-OG 3.36Å; Q331-S334 PolarHBondContact O-OG 3.49Å; Q331-S334 VanDerWaalsContact O-OG 3.08Å; Q331-H335 PolarHBondContact O-CD2 3.06Å; Q331-H335 VanDerWaalsContact O-CD2 3.3Å; Q331-H335 PolarHBondContact O-N 2.96Å |
| 332 | S | 56.9 | Low | 61.7 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.7 | -32.5 | 171.2 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | R328 L330 | R328-S332 PolarHBondContact O-N 2.83Å; R328-S332 VanDerWaalsContact O-N 3.09Å; L330-S332 VanDerWaalsContact C-N 3.34Å |
| 333 | S | 56.4 | Low | 60.3 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -80.2 | -34.4 | 179.8 | -63 | 0 | 0 | 0 | 0 | 112.5 | S329 L330 Q331 H336 F337 | S329-S333 PolarHBondContact O-N 2.75Å; S329-S333 VanDerWaalsContact O-N 3.1Å; S329-S333 PolarHBondContact O-OG 2.77Å; L330-S333 PolarHBondContact O-N 2.84Å; L330-S333 VanDerWaalsContact O-N 3.16Å; Q331-S333 VanDerWaalsContact C-N 3.32Å; S333-H336 PolarHBondContact O-N 3.37Å; S333-H336 VanDerWaalsContact O-N 3.16Å; S333-F337 PolarHBondContact O-N 3.31Å |
| 334 | S | 51.5 | Low | 58.9 | Low | 66 Ų | 66 | 125 Ų | 125 | 46% | 0.462 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70 | -31.6 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | L330 Q331 H336 F337 | L330-S334 PolarHBondContact O-N 3.44Å; L330-S334 PolarHBondContact O-OG 3.35Å; Q331-S334 WeakPolarHBondContact CA-OG 3.36Å; Q331-S334 PolarHBondContact O-OG 3.49Å; Q331-S334 VanDerWaalsContact O-OG 3.08Å; S334-H336 PolarHBondContact O-N 3.07Å; S334-F337 PolarHBondContact O-N 2.96Å |
| 335 | H | 50.2 | Low | 57.3 | Low | 139 Ų | 139 | 131 Ų | 131 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.4 | -23.1 | 170.7 | -85.6 | -72.1 | 0 | 0 | 0 | 113.4 | Q331 | Q331-H335 PolarHBondContact O-CD2 3.06Å; Q331-H335 VanDerWaalsContact O-CD2 3.3Å; Q331-H335 PolarHBondContact O-N 2.96Å |
| 336 | H | 50.1 | Low | 56.2 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88.5 | -14.4 | 174.9 | -101.4 | -64.3 | 0 | 0 | 0 | 114.3 | S333 S334 | S333-H336 PolarHBondContact O-N 3.37Å; S333-H336 VanDerWaalsContact O-N 3.16Å; S334-H336 PolarHBondContact O-N 3.07Å |
| 337 | F | 48.1 | Very low | 54.8 | Low | 165 Ų | 165 | 135.6 Ų | 135.6 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -88.8 | -20.7 | -177.1 | -163 | -99.5 | 0 | 0 | 0 | 113.6 | S333 S334 | S333-F337 PolarHBondContact O-N 3.31Å; S334-F337 PolarHBondContact O-N 2.96Å |
| 338 | F | 49.1 | Very low | 53.9 | Low | 194 Ų | 194 | 140.2 Ų | 140.2 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -6.1 | -179.5 | -110.9 | -87 | 0 | 0 | 0 | 115.2 | ||
| 339 | D | 48.4 | Very low | 52.8 | Low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 17.1 | 179.3 | -92.6 | -19.7 | 0 | 0 | 0 | 114.3 | P341 | D339-P341 VanDerWaalsContact O-CD 3.3Å; D339-P341 WeakPolarHBondContact O-CD 3.25Å |
| 340 | R | 47.4 | Very low | 51.5 | Low | 216 Ų | 216 | 141.3 Ų | 141.3 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | -94.1 | 110 | 169 | -81.3 | -166.2 | -174 | -153 | 3.1 | 111 | A342 | R340-A342 PolarHBondContact O-N 3.38Š| ||
| 341 | P | 49 | Very low | 50.7 | Low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -66.6 | 119.2 | 171.1 | 26.4 | -31.4 | 0 | 0 | 0 | 109.5 | D339 V343 | D339-P341 VanDerWaalsContact O-CD 3.3Å; D339-P341 WeakPolarHBondContact O-CD 3.25Å; P341-V343 PolarHBondContact O-N 3.05Å; P341-V343 VanDerWaalsContact O-N 3.1Å | ||
| 342 | A | 53.3 | Low | 50.2 | Low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -68.8 | 102.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R340 L344 | R340-A342 PolarHBondContact O-N 3.38Å; A342-L344 PolarHBondContact O-N 3.4Å | ||
| 343 | V | 53.7 | Low | 49.7 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -76.7 | 101.1 | 166.3 | 178 | 0 | 0 | 0 | 0 | 107.2 | P341 | P341-V343 PolarHBondContact O-N 3.05Å; P341-V343 VanDerWaalsContact O-N 3.1Å | ||
| 344 | L | 47.3 | Very low | 49.1 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -84.5 | 125.6 | 164.7 | -84 | 161.2 | 0 | 0 | 0 | 108.6 | A342 | A342-L344 PolarHBondContact O-N 3.4Š| ||
| 345 | K | 41.4 | Very low | 48.9 | Very low | 270 Ų | 270 | 162.6 Ų | 162.6 | 100% | 1.174 | 81% | 0.808 | S | S | * | * | trans | -124.5 | 0 | 168.7 | -133.4 | -172 | -169.7 | -175.8 | 0 | 108.2 |
Retrieved 345 of 345 residues in 851.6 ms
(Link to these results)