| 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 | 38.3 | Very low | 60.8 | Low | 206 Ų | 206 | 100.2 Ų | 100.2 | 100% | 1.015 | 52% | 0.521 | S | S | * | . | 0 | -42.5 | 0 | -81.5 | -178.2 | 57.7 | 0 | 0 | 112.6 | S5 | M1-S5 PolarHBondContact O-N 3.5Š| |||
| 2 | S | 49.7 | Very low | 63.6 | Low | 86 Ų | 86 | 97.4 Ų | 97.4 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -48.6 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | E4 S5 D6 | S2-E4 VanDerWaalsContact C-N 3.32Å; S2-E4 PolarHBondContact O-N 2.95Å; S2-S5 WeakPolarHBondContact O-CB 3.4Å; S2-S5 PolarHBondContact O-N 3.09Å; S2-D6 PolarHBondContact O-N 3.34Å; S2-D6 VanDerWaalsContact O-N 3.09Å |
| 3 | E | 51.7 | Low | 65.8 | Low | 142 Ų | 142 | 103.2 Ų | 103.2 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -33.9 | -179 | -67.7 | 179.2 | 172.9 | 0 | 0 | 113.5 | D6 M7 | E3-D6 PolarHBondContact O-N 3.35Å; E3-M7 WeakPolarHBondContact O-CB 3.44Å; E3-M7 WeakPolarHBondContact O-CG 3.47Å; E3-M7 PolarHBondContact O-N 3.09Å |
| 4 | E | 51.6 | Low | 67.8 | Low | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 178 | -142.7 | 166.2 | -162.2 | 0 | 0 | 111 | S2 E8 | S2-E4 VanDerWaalsContact C-N 3.32Å; S2-E4 PolarHBondContact O-N 2.95Å; E4-E8 PolarHBondContact O-N 3.49Å |
| 5 | S | 54.2 | Low | 69.6 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 34% | 0.343 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 175.2 | 125.4 | 0 | 0 | 0 | 0 | 112.7 | M1 S2 M7 K9 | M1-S5 PolarHBondContact O-N 3.5Å; S2-S5 WeakPolarHBondContact O-CB 3.4Å; S2-S5 PolarHBondContact O-N 3.09Å; S5-M7 VanDerWaalsContact C-N 3.32Å; S5-K9 WeakPolarHBondContact O-CG 3.23Å; S5-K9 PolarHBondContact O-N 2.6Å; S5-K9 PolarHBondContact OG-NZ 3.17Å |
| 6 | D | 59.7 | Low | 71.2 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.3 | -24.7 | -178.2 | -65.1 | -25.8 | 0 | 0 | 0 | 112.2 | S2 E3 K9 A10 | S2-D6 PolarHBondContact O-N 3.34Å; S2-D6 VanDerWaalsContact O-N 3.09Å; E3-D6 PolarHBondContact O-N 3.35Å; D6-K9 PolarHBondContact O-N 3.06Å; D6-K9 IonicContact OD1-NZ 2.63Å; D6-K9 PolarHBondContact OD1-NZ 2.89Å; D6-A10 PolarHBondContact O-N 3.38Å |
| 7 | M | 63.3 | Low | 72.5 | Confident | 44 Ų | 44 | 90.7 Ų | 90.7 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -77.1 | -36.3 | 174.7 | -70.4 | -74.1 | -82.8 | 0 | 0 | 113.1 | E3 S5 K9 A10 R64 M67 | E3-M7 WeakPolarHBondContact O-CB 3.44Å; E3-M7 WeakPolarHBondContact O-CG 3.47Å; E3-M7 PolarHBondContact O-N 3.09Å; S5-M7 VanDerWaalsContact C-N 3.32Å; M7-K9 PolarHBondContact O-N 2.77Å; M7-A10 WeakPolarHBondContact O-CB 3.31Å; M7-A10 PolarHBondContact O-N 2.79Å; M7-A10 VanDerWaalsContact O-N 3.13Å; M7-R64 HydrophobicContact CE-CB 3.99Å; M7-R64 HydrophobicContact CE-CG 3.55Å; M7-M67 HydrophobicContact CE-CB 3.76Å; M7-M67 HydrophobicContact CE-CE 3.16Å; M7-M67 HydrophobicContact CE-CG 4.4Å; M7-M67 HydrophobicContact CE-SD 4.07Å; M7-M67 HydrophobicContact SD-CE 3.82Å; M7-M67 HydrophobicContact SD-SD 4.34Å |
| 8 | E | 63.3 | Low | 73.8 | Confident | 130 Ų | 130 | 92.5 Ų | 92.5 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -34.5 | 170.3 | -76.6 | -168.6 | 151.3 | 0 | 0 | 111.5 | E4 A10 I11 | E4-E8 PolarHBondContact O-N 3.49Å; E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.25Å; E8-I11 PolarHBondContact O-N 3.43Å |
| 9 | K | 63.6 | Low | 74.9 | Confident | 149 Ų | 149 | 90.4 Ų | 90.4 | 65% | 0.648 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.9 | -23.1 | 172.9 | -66.8 | 172.2 | -162.5 | 156.3 | 0 | 113.7 | S5 D6 M7 I11 | S5-K9 WeakPolarHBondContact O-CG 3.23Å; S5-K9 PolarHBondContact O-N 2.6Å; S5-K9 PolarHBondContact OG-NZ 3.17Å; D6-K9 PolarHBondContact O-N 3.06Å; D6-K9 IonicContact OD1-NZ 2.63Å; D6-K9 PolarHBondContact OD1-NZ 2.89Å; M7-K9 PolarHBondContact O-N 2.77Å; K9-I11 VanDerWaalsContact C-N 3.31Å |
| 10 | A | 81.4 | Confident | 76 | Confident | 50 Ų | 50 | 85.9 Ų | 85.9 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -78.4 | -15.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D6 M7 E8 | D6-A10 PolarHBondContact O-N 3.38Å; M7-A10 WeakPolarHBondContact O-CB 3.31Å; M7-A10 PolarHBondContact O-N 2.79Å; M7-A10 VanDerWaalsContact O-N 3.13Å; E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.25Å |
| 11 | I | 92.2 | Very high | 77 | Confident | 25 Ų | 25 | 84.8 Ų | 84.8 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.2 | 177.7 | -58.9 | 175.4 | 0 | 0 | 0 | 109 | E8 K9 V81 A83 | E8-I11 PolarHBondContact O-N 3.43Å; K9-I11 VanDerWaalsContact C-N 3.31Å; I11-V81 HydrophobicContact CG1-CB 4.42Å; I11-V81 HydrophobicContact CG1-CG1 4.16Å; I11-V81 HydrophobicContact CG2-CG1 4.32Å; I11-A83 HydrophobicContact CG2-CB 3.57Å |
| 12 | K | 94.3 | Very high | 79.6 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 29% | 0.291 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 132.8 | 178.2 | -67 | -179.2 | 167.2 | -166.7 | 0 | 111.4 | E19 E80 V81 F82 A83 | K12-E19 VanDerWaalsContact NZ-CD 3.31Å; K12-E19 IonicContact NZ-OE1 2.6Å; K12-E19 PolarHBondContact NZ-OE1 3.13Å; K12-E19 IonicContact NZ-OE2 2.89Å; K12-E19 PolarHBondContact NZ-OE2 3.27Å; K12-E80 VanDerWaalsContact CE-OE1 3.23Å; K12-E80 WeakPolarHBondContact CE-OE1 3.49Å; K12-E80 IonicContact NZ-OE1 3.43Å; K12-E80 PolarHBondContact NZ-OE1 3Å; K12-V81 PolarHBondContact N-O 2.85Å; K12-F82 HydrophobicContact CB-CD1 3.54Å; K12-F82 HydrophobicContact CB-CE1 3.87Å; K12-F82 HydrophobicContact CB-CG 4.14Å; K12-F82 HydrophobicContact CD-CD1 3.95Å; K12-F82 HydrophobicContact CD-CE1 3.37Å; K12-F82 HydrophobicContact CD-CE2 4.45Å; K12-F82 HydrophobicContact CD-CZ 3.65Å; K12-F82 HydrophobicContact CG-CD1 4.39Å; K12-F82 HydrophobicContact CG-CE1 4.27Å; K12-F82 CarbonylContact O-C 3.49Å; K12-F82 VanDerWaalsContact O-CA 3.23Å; K12-F82 WeakPolarHBondContact O-CA 3.44Å; K12-A83 PolarHBondContact O-N 3.19Å |
| 13 | E | 92.6 | Very high | 81.5 | Confident | 172 Ų | 172 | 74.7 Ų | 74.7 | 80% | 0.804 | 39% | 0.385 | S | S | * | . | trans | -93.7 | -12.7 | 172.1 | -62.3 | -169.7 | 163.7 | 0 | 0 | 112.9 | N84 | E13-N84 PolarHBondContact O-ND2 3.39Š| ||
| 14 | T | 93.8 | Very high | 83.1 | Confident | 66 Ų | 66 | 71.9 Ų | 71.9 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -60.4 | 154.3 | 172.9 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | I16 N84 | T14-I16 PolarHBondContact O-N 3.45Å; T14-N84 PolarHBondContact O-ND2 3.49Å; T14-N84 PolarHBondContact O-OD1 3.35Å |
| 15 | S | 93.8 | Very high | 84.5 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | trans | -67.2 | 124.2 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 110 | L17 E18 | S15-L17 PolarHBondContact O-N 3.33Å; S15-L17 PolarHBondContact OG-N 2.81Å; S15-E18 WeakPolarHBondContact CB-OE1 3.46Å; S15-E18 PolarHBondContact N-OE1 3.17Å; S15-E18 VanDerWaalsContact O-CB 3.31Å; S15-E18 WeakPolarHBondContact O-CB 3.36Å; S15-E18 PolarHBondContact O-N 3.28Å | ||
| 16 | I | 95.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -53.6 | -29.1 | 173 | -169 | 166.7 | 0 | 0 | 0 | 111.8 | T14 E18 E19 Y20 I22 L50 F82 N84 L99 V101 | T14-I16 PolarHBondContact O-N 3.45Å; I16-E18 PolarHBondContact O-N 3.42Å; I16-E19 PolarHBondContact O-N 3.33Å; I16-E19 VanDerWaalsContact O-N 3.17Å; I16-Y20 HydrophobicContact CG1-CD2 4Å; I16-Y20 HydrophobicContact CG1-CG 4.35Å; I16-Y20 PolarHBondContact O-N 2.81Å; I16-I22 HydrophobicContact CD1-CD1 4.5Å; I16-I22 HydrophobicContact CG2-CD1 3.86Å; I16-L50 HydrophobicContact CD1-CD1 3.71Å; I16-L50 HydrophobicContact CD1-CD2 4.26Å; I16-F82 HydrophobicContact CB-CB 4.31Å; I16-F82 HydrophobicContact CB-CD1 4.06Å; I16-F82 HydrophobicContact CB-CD2 4.17Å; I16-F82 HydrophobicContact CB-CE1 4.43Å; I16-F82 HydrophobicContact CB-CG 3.93Å; I16-F82 HydrophobicContact CD1-CD2 3.76Å; I16-F82 HydrophobicContact CD1-CE2 4.11Å; I16-F82 HydrophobicContact CD1-CG 4.32Å; I16-F82 HydrophobicContact CG1-CD1 4.46Å; I16-F82 HydrophobicContact CG1-CD2 3.84Å; I16-F82 HydrophobicContact CG1-CE2 3.93Å; I16-F82 HydrophobicContact CG1-CG 4.14Å; I16-F82 HydrophobicContact CG1-CZ 4.28Å; I16-N84 PolarHBondContact N-OD1 2.96Å; I16-L99 HydrophobicContact CB-CD1 4Å; I16-L99 HydrophobicContact CD1-CB 3.95Å; I16-L99 HydrophobicContact CD1-CD1 4.12Å; I16-L99 HydrophobicContact CG2-CD1 3.52Å; I16-V101 HydrophobicContact CD1-CG2 3.98Å |
| 17 | L | 93.9 | Very high | 87 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.1 | -11.9 | -178.5 | -61.2 | 178.9 | 0 | 0 | 0 | 112.5 | S15 I22 K42 | S15-L17 PolarHBondContact O-N 3.33Å; S15-L17 PolarHBondContact OG-N 2.81Å; L17-I22 HydrophobicContact CD2-CD1 3.73Å; L17-I22 HydrophobicContact CD2-CG1 4.13Å; L17-K42 WeakPolarHBondContact O-CE 3.39Å; L17-K42 PolarHBondContact O-NZ 3.04Å |
| 18 | E | 95.2 | Very high | 87.9 | Confident | 123 Ų | 123 | 76 Ų | 76 | 58% | 0.575 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.4 | -43.6 | 170.4 | -68.6 | 165.9 | -146.1 | 0 | 0 | 109.9 | S15 I16 K42 | S15-E18 WeakPolarHBondContact CB-OE1 3.46Å; S15-E18 PolarHBondContact N-OE1 3.17Å; S15-E18 VanDerWaalsContact O-CB 3.31Å; S15-E18 WeakPolarHBondContact O-CB 3.36Å; S15-E18 PolarHBondContact O-N 3.28Å; I16-E18 PolarHBondContact O-N 3.42Å; E18-K42 WeakPolarHBondContact O-CD 3.09Å; E18-K42 PolarHBondContact O-NZ 3.24Å; E18-K42 VanDerWaalsContact O-NZ 3.09Å |
| 19 | E | 96.5 | Very high | 88.2 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -97.9 | -27.6 | -172.4 | -62.3 | -174.3 | -124.4 | 0 | 0 | 114.1 | K12 I16 K42 | K12-E19 VanDerWaalsContact NZ-CD 3.31Å; K12-E19 IonicContact NZ-OE1 2.6Å; K12-E19 PolarHBondContact NZ-OE1 3.13Å; K12-E19 IonicContact NZ-OE2 2.89Å; K12-E19 PolarHBondContact NZ-OE2 3.27Å; I16-E19 PolarHBondContact O-N 3.33Å; I16-E19 VanDerWaalsContact O-N 3.17Å; E19-K42 WeakPolarHBondContact O-CG 3.45Å; E19-K42 PolarHBondContact O-N 3.38Å |
| 20 | Y | 96.9 | Very high | 88 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.7 | -172.9 | -68.2 | -95.4 | 0 | 0 | 0 | 112.9 | I16 C39 V40 K41 F48 E80 F82 V101 | I16-Y20 HydrophobicContact CG1-CD2 4Å; I16-Y20 HydrophobicContact CG1-CG 4.35Å; I16-Y20 PolarHBondContact O-N 2.81Å; Y20-C39 HydrophobicContact CD1-CB 4.4Å; Y20-V40 CarbonylContact C-O 3.56Å; Y20-V40 WeakPolarHBondContact CA-O 3.39Å; Y20-K41 HydrophobicContact CD1-CB 3.92Å; Y20-K41 HydrophobicContact CD1-CG 4.42Å; Y20-K41 HydrophobicContact CE1-CB 3.53Å; Y20-K41 HydrophobicContact CE1-CD 4.22Å; Y20-K41 HydrophobicContact CE1-CG 3.9Å; Y20-F48 HydrophobicContact CD1-CD2 4.45Å; Y20-F48 AromaticContact CE1-CD2 3.73Å; Y20-F48 HydrophobicContact CE1-CD2 3.73Å; Y20-F48 HydrophobicContact CE1-CE2 4.16Å; Y20-F48 HydrophobicContact CE1-CG 4.36Å; Y20-E80 PolarHBondContact OH-OE2 3.45Å; Y20-F82 HydrophobicContact CD2-CE2 4.31Å; Y20-F82 HydrophobicContact CD2-CZ 4.21Å; Y20-F82 HydrophobicContact CE2-CE2 4.05Å; Y20-F82 AromaticContact CE2-CZ 3.98Å; Y20-F82 HydrophobicContact CE2-CZ 3.98Å; Y20-V101 HydrophobicContact CE1-CG1 3.83Å; Y20-V101 HydrophobicContact CE1-CG2 4.47Å; Y20-V101 HydrophobicContact CE2-CG2 4.31Å |
| 21 | S | 95.7 | Very high | 86.8 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 166.7 | -64.5 | 0 | 0 | 0 | 0 | 109.3 | C39 V40 | S21-C39 CarbonylContact O-C 3.56Å; S21-C39 VanDerWaalsContact O-CA 3.23Å; S21-C39 WeakPolarHBondContact O-CA 3.42Å; S21-V40 PolarHBondContact N-O 2.86Å; S21-V40 PolarHBondContact O-N 2.87Å |
| 22 | I | 92.8 | Very high | 84.9 | Confident | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128 | -175.3 | -56.2 | 172.6 | 0 | 0 | 0 | 110.2 | I16 L17 W24 C39 L50 | I16-I22 HydrophobicContact CD1-CD1 4.5Å; I16-I22 HydrophobicContact CG2-CD1 3.86Å; L17-I22 HydrophobicContact CD2-CD1 3.73Å; L17-I22 HydrophobicContact CD2-CG1 4.13Å; I22-W24 HydrophobicContact CB-CD2 4.48Å; I22-W24 HydrophobicContact CB-CZ2 4.02Å; I22-W24 HydrophobicContact CD1-CH2 4.03Å; I22-W24 HydrophobicContact CD1-CZ2 3.6Å; I22-W24 HydrophobicContact CG1-CZ2 4.41Å; I22-W24 HydrophobicContact CG2-CD2 3.8Å; I22-W24 HydrophobicContact CG2-CE3 4.14Å; I22-W24 HydrophobicContact CG2-CG 4.3Å; I22-W24 HydrophobicContact CG2-CH2 4.11Å; I22-W24 HydrophobicContact CG2-CZ2 3.8Å; I22-W24 HydrophobicContact CG2-CZ3 4.29Å; I22-W24 PolarHBondContact O-N 2.87Å; I22-C39 HydrophobicContact CG1-CB 4.25Å; I22-L50 HydrophobicContact CB-CD2 4.49Å; I22-L50 HydrophobicContact CD1-CD2 3.57Å; I22-L50 HydrophobicContact CG1-CD2 3.82Å; I22-L50 HydrophobicContact CG2-CD2 3.86Å |
| 23 | N | 90 | Very high | 83.4 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 96.9 | 170.9 | -171 | -24 | 0 | 0 | 0 | 110.2 | T25 Q26 V38 | N23-T25 VanDerWaalsContact C-N 3.3Å; N23-T25 PolarHBondContact O-N 2.86Å; N23-T25 PolarHBondContact OD1-N 2.53Å; N23-T25 VanDerWaalsContact OD1-N 3.14Å; N23-T25 PolarHBondContact OD1-OG1 2.62Å; N23-Q26 HydrophobicContact CB-CB 4.31Å; N23-Q26 WeakPolarHBondContact ND2-CB 3.31Å; N23-Q26 PolarHBondContact ND2-OE1 2.79Å; N23-Q26 PolarHBondContact OD1-N 3Å; N23-V38 HydrophobicContact CB-CB 4.32Å; N23-V38 WeakPolarHBondContact CB-O 3.35Å; N23-V38 PolarHBondContact N-O 3.29Å |
| 24 | W | 84.6 | Confident | 82.5 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -14 | -178.2 | -63.3 | 105.6 | 0 | 0 | 0 | 114.6 | I22 R37 I52 V86 F88 | I22-W24 HydrophobicContact CB-CD2 4.48Å; I22-W24 HydrophobicContact CB-CZ2 4.02Å; I22-W24 HydrophobicContact CD1-CH2 4.03Å; I22-W24 HydrophobicContact CD1-CZ2 3.6Å; I22-W24 HydrophobicContact CG1-CZ2 4.41Å; I22-W24 HydrophobicContact CG2-CD2 3.8Å; I22-W24 HydrophobicContact CG2-CE3 4.14Å; I22-W24 HydrophobicContact CG2-CG 4.3Å; I22-W24 HydrophobicContact CG2-CH2 4.11Å; I22-W24 HydrophobicContact CG2-CZ2 3.8Å; I22-W24 HydrophobicContact CG2-CZ3 4.29Å; I22-W24 PolarHBondContact O-N 2.87Å; W24-R37 PolarHBondContact O-NH1 3.02Å; W24-R37 PolarHBondContact O-NH2 3.43Å; W24-I52 HydrophobicContact CH2-CD1 4.19Å; W24-I52 HydrophobicContact CZ3-CD1 3.72Å; W24-V86 HydrophobicContact CH2-CG1 3.78Å; W24-V86 HydrophobicContact CZ2-CG1 4.21Å; W24-F88 HydrophobicContact CZ3-CE1 4.12Å; W24-F88 HydrophobicContact CZ3-CE2 4.46Å; W24-F88 HydrophobicContact CZ3-CZ 4.03Å |
| 25 | T | 82.7 | Confident | 82.2 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 77% | 0.767 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -41.1 | -179.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | N23 K27 R37 | N23-T25 VanDerWaalsContact C-N 3.3Å; N23-T25 PolarHBondContact O-N 2.86Å; N23-T25 PolarHBondContact OD1-N 2.53Å; N23-T25 VanDerWaalsContact OD1-N 3.14Å; N23-T25 PolarHBondContact OD1-OG1 2.62Å; T25-K27 PolarHBondContact O-N 2.84Å; T25-R37 VanDerWaalsContact C-NH1 3.33Å; T25-R37 PolarHBondContact O-NH1 3.34Å |
| 26 | Q | 83.2 | Confident | 82 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 113.1 | 179.6 | -170.1 | 174 | 2.6 | 0 | 0 | 111.4 | N23 R37 V38 | N23-Q26 HydrophobicContact CB-CB 4.31Å; N23-Q26 WeakPolarHBondContact ND2-CB 3.31Å; N23-Q26 PolarHBondContact ND2-OE1 2.79Å; N23-Q26 PolarHBondContact OD1-N 3Å; Q26-R37 WeakPolarHBondContact O-CD 3.49Å; Q26-R37 PolarHBondContact O-NH1 3.36Å; Q26-V38 HydrophobicContact CG-CG2 4.05Å |
| 27 | K | 83.3 | Confident | 81.8 | Confident | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.2 | 176.2 | -169.8 | 178.5 | 179.5 | -175.7 | 0 | 109 | T25 G29 | T25-K27 PolarHBondContact O-N 2.84Å; K27-G29 WeakPolarHBondContact CE-O 3.33Å; K27-G29 WeakPolarHBondContact CG-O 3.24Å |
| 28 | L | 81.2 | Confident | 81.9 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 40% | 0.403 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -34.4 | 174 | -65.9 | 178.3 | 0 | 0 | 0 | 111.3 | V36 V38 A49 M104 | L28-V36 HydrophobicContact CB-CB 4.37Å; L28-V36 HydrophobicContact CB-CG1 4.16Å; L28-V36 HydrophobicContact CD1-CG1 4.24Å; L28-V36 PolarHBondContact N-O 3.37Å; L28-V38 HydrophobicContact CD1-CG2 3.81Å; L28-V38 HydrophobicContact CD2-CG2 3.57Å; L28-V38 HydrophobicContact CG-CG2 3.7Å; L28-A49 HydrophobicContact CD1-CB 4.08Å; L28-M104 HydrophobicContact CD1-CE 3.9Å; L28-M104 HydrophobicContact CD1-SD 3.84Å; L28-M104 HydrophobicContact CD2-CE 4.31Å |
| 29 | G | 70.2 | Confident | 81.9 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 163.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K27 V36 | K27-G29 WeakPolarHBondContact CE-O 3.33Å; K27-G29 WeakPolarHBondContact CG-O 3.24Å; G29-V36 PolarHBondContact O-N 2.93Å |
| 30 | A | 59.2 | Low | 81.9 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 98.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 31 | G | 55.1 | Low | 81.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | trans | -85.7 | 173 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S33 G34 | G31-S33 PolarHBondContact O-N 3.17Å; G31-G34 PolarHBondContact O-N 3.26Å | ||
| 32 | I | 53.1 | Low | 82 | Confident | 134 Ų | 134 | 54.8 Ų | 54.8 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -57.1 | -28.3 | 170.8 | -64.8 | 165.3 | 0 | 0 | 0 | 111.1 | F172 | I32-F172 HydrophobicContact CD1-CZ 4.45Å; I32-F172 HydrophobicContact CG2-CE2 4.36Å; I32-F172 HydrophobicContact CG2-CZ 4.03Å |
| 33 | S | 62.5 | Low | 82.2 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -75.5 | -35.5 | -176.4 | -43.6 | 0 | 0 | 0 | 0 | 111.8 | G31 K51 L53 D169 | G31-S33 PolarHBondContact O-N 3.17Å; S33-K51 VanDerWaalsContact CB-CE 3.45Å; S33-L53 WeakPolarHBondContact O-CD2 3.05Å; S33-D169 WeakPolarHBondContact CB-OD1 3.39Å; S33-D169 VanDerWaalsContact OG-CG 3.28Å; S33-D169 PolarHBondContact OG-OD1 3.29Å; S33-D169 PolarHBondContact OG-OD2 3.37Å |
| 34 | G | 73.9 | Confident | 82.5 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | trans | 155.6 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | G31 | G31-G34 PolarHBondContact O-N 3.26Š| ||
| 35 | P | 86.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.7 | 177.4 | 28.6 | -34.1 | 0 | 0 | 0 | 111.7 | I52 F88 | P35-I52 WeakPolarHBondContact CD-O 3.48Å; P35-I52 HydrophobicContact CG-CB 4.39Å; P35-I52 PolarHBondContact O-N 2.9Å; P35-I52 VanDerWaalsContact O-N 3.13Å; P35-F88 HydrophobicContact CG-CE1 4.03Å; P35-F88 HydrophobicContact CG-CZ 4.04Å |
| 36 | V | 90.1 | Very high | 83.8 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.5 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | L28 G29 A49 L50 K51 | L28-V36 HydrophobicContact CB-CB 4.37Å; L28-V36 HydrophobicContact CB-CG1 4.16Å; L28-V36 HydrophobicContact CD1-CG1 4.24Å; L28-V36 PolarHBondContact N-O 3.37Å; G29-V36 PolarHBondContact O-N 2.93Å; V36-A49 HydrophobicContact CG1-CB 4.21Å; V36-L50 CarbonylContact C-O 3.51Å; V36-L50 VanDerWaalsContact CA-O 3.3Å; V36-L50 WeakPolarHBondContact CA-O 3.38Å; V36-K51 HydrophobicContact CG2-CB 4.26Å; V36-K51 HydrophobicContact CG2-CG 4.24Å |
| 37 | R | 91.7 | Very high | 84.4 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 162.8 | -176.1 | -61.1 | -61.8 | -171.8 | 162.4 | 6.7 | 111 | W24 T25 Q26 L50 I52 | W24-R37 PolarHBondContact O-NH1 3.02Å; W24-R37 PolarHBondContact O-NH2 3.43Å; T25-R37 VanDerWaalsContact C-NH1 3.33Å; T25-R37 PolarHBondContact O-NH1 3.34Å; Q26-R37 WeakPolarHBondContact O-CD 3.49Å; Q26-R37 PolarHBondContact O-NH1 3.36Å; R37-L50 HydrophobicContact CB-CB 4.47Å; R37-L50 PolarHBondContact N-O 2.71Å; R37-L50 PolarHBondContact O-N 2.97Å; R37-I52 HydrophobicContact CG-CD1 4.17Å |
| 38 | V | 94.3 | Very high | 85 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.6 | 166.4 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | N23 Q26 L28 M104 | N23-V38 HydrophobicContact CB-CB 4.32Å; N23-V38 WeakPolarHBondContact CB-O 3.35Å; N23-V38 PolarHBondContact N-O 3.29Å; Q26-V38 HydrophobicContact CG-CG2 4.05Å; L28-V38 HydrophobicContact CD1-CG2 3.81Å; L28-V38 HydrophobicContact CD2-CG2 3.57Å; L28-V38 HydrophobicContact CG-CG2 3.7Å; V38-M104 HydrophobicContact CG2-CE 4.31Å |
| 39 | C | 95.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 161.6 | 162.8 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | Y20 S21 I22 R47 F48 L50 | Y20-C39 HydrophobicContact CD1-CB 4.4Å; S21-C39 CarbonylContact O-C 3.56Å; S21-C39 VanDerWaalsContact O-CA 3.23Å; S21-C39 WeakPolarHBondContact O-CA 3.42Å; I22-C39 HydrophobicContact CG1-CB 4.25Å; C39-R47 WeakPolarHBondContact O-CA 3.11Å; C39-F48 PolarHBondContact N-O 3.32Å; C39-F48 PolarHBondContact O-N 2.92Å; C39-L50 HydrophobicContact CB-CB 4.23Å |
| 40 | V | 97.3 | Very high | 86.8 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 22% | 0.218 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | Y20 S21 K42 Q45 E46 R47 | Y20-V40 CarbonylContact C-O 3.56Å; Y20-V40 WeakPolarHBondContact CA-O 3.39Å; S21-V40 PolarHBondContact N-O 2.86Å; S21-V40 PolarHBondContact O-N 2.87Å; V40-K42 PolarHBondContact O-N 3.47Å; V40-Q45 WeakPolarHBondContact CG1-O 3.23Å; V40-E46 CarbonylContact C-O 3.59Å; V40-E46 VanDerWaalsContact CA-O 3.3Å; V40-E46 WeakPolarHBondContact CA-O 3.32Å; V40-R47 HydrophobicContact CG2-CG 4.13Å |
| 41 | K | 97.6 | Very high | 88.5 | Confident | 46 Ų | 46 | 50 Ų | 50 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124.6 | 176 | -169.3 | 167.8 | -168.9 | 150.5 | 0 | 109.1 | Y20 S43 T44 Q45 E46 F48 E80 | Y20-K41 HydrophobicContact CD1-CB 3.92Å; Y20-K41 HydrophobicContact CD1-CG 4.42Å; Y20-K41 HydrophobicContact CE1-CB 3.53Å; Y20-K41 HydrophobicContact CE1-CD 4.22Å; Y20-K41 HydrophobicContact CE1-CG 3.9Å; K41-S43 VanDerWaalsContact C-N 3.33Å; K41-S43 PolarHBondContact O-N 2.81Å; K41-T44 PolarHBondContact O-N 2.73Å; K41-Q45 VanDerWaalsContact O-CA 3.24Å; K41-Q45 WeakPolarHBondContact O-CA 3.44Å; K41-Q45 PolarHBondContact O-N 3.5Å; K41-E46 PolarHBondContact N-O 2.87Å; K41-F48 HydrophobicContact CB-CD2 4.13Å; K41-F48 HydrophobicContact CB-CE2 3.66Å; K41-F48 HydrophobicContact CD-CE2 4.38Å; K41-E80 IonicContact NZ-OE2 2.95Å; K41-E80 PolarHBondContact NZ-OE2 2.85Å |
| 42 | K | 97.4 | Very high | 90.2 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -35.7 | -171.3 | -67.3 | -177.4 | -170.4 | 169.4 | 0 | 113.2 | L17 E18 E19 V40 Q45 | L17-K42 WeakPolarHBondContact O-CE 3.39Å; L17-K42 PolarHBondContact O-NZ 3.04Å; E18-K42 WeakPolarHBondContact O-CD 3.09Å; E18-K42 PolarHBondContact O-NZ 3.24Å; E18-K42 VanDerWaalsContact O-NZ 3.09Å; E19-K42 WeakPolarHBondContact O-CG 3.45Å; E19-K42 PolarHBondContact O-N 3.38Å; V40-K42 PolarHBondContact O-N 3.47Å; K42-Q45 PolarHBondContact O-NE2 3.11Å |
| 43 | S | 97.1 | Very high | 92 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 69% | 0.692 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -35.7 | -177.5 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | K41 | K41-S43 VanDerWaalsContact C-N 3.33Å; K41-S43 PolarHBondContact O-N 2.81Å |
| 44 | T | 96.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 43.8 Ų | 43.8 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -13.3 | -175 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | K41 E46 | K41-T44 PolarHBondContact O-N 2.73Å; T44-E46 PolarHBondContact O-N 2.77Å; T44-E46 VanDerWaalsContact O-N 3.17Å; T44-E46 VanDerWaalsContact OG1-CB 3.31Å; T44-E46 WeakPolarHBondContact OG1-CB 3.4Å; T44-E46 PolarHBondContact OG1-N 2.74Å |
| 45 | Q | 96.6 | Very high | 94.3 | Very high | 136 Ų | 136 | 44.9 Ų | 44.9 | 64% | 0.636 | 23% | 0.23 | S | C | * | . | trans | 58.9 | 15 | -169 | -59.3 | -62.9 | -56.4 | 0 | 0 | 114.1 | V40 K41 K42 | V40-Q45 WeakPolarHBondContact CG1-O 3.23Å; K41-Q45 VanDerWaalsContact O-CA 3.24Å; K41-Q45 WeakPolarHBondContact O-CA 3.44Å; K41-Q45 PolarHBondContact O-N 3.5Å; K42-Q45 PolarHBondContact O-NE2 3.11Å | ||
| 46 | E | 96.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 50.2 Ų | 50.2 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | trans | -76.6 | 142 | 179.2 | -173.2 | 178.1 | -176.5 | 0 | 0 | 111.2 | V40 K41 T44 F48 | V40-E46 CarbonylContact C-O 3.59Å; V40-E46 VanDerWaalsContact CA-O 3.3Å; V40-E46 WeakPolarHBondContact CA-O 3.32Å; K41-E46 PolarHBondContact N-O 2.87Å; T44-E46 PolarHBondContact O-N 2.77Å; T44-E46 VanDerWaalsContact O-N 3.17Å; T44-E46 VanDerWaalsContact OG1-CB 3.31Å; T44-E46 WeakPolarHBondContact OG1-CB 3.4Å; T44-E46 PolarHBondContact OG1-N 2.74Å; E46-F48 HydrophobicContact CB-CE2 3.68Å; E46-F48 HydrophobicContact CB-CZ 3.96Å; E46-F48 HydrophobicContact CG-CE1 4.35Å; E46-F48 HydrophobicContact CG-CE2 3.76Å; E46-F48 HydrophobicContact CG-CZ 3.63Å; E46-F48 VanDerWaalsContact O-CD2 3.27Å; E46-F48 WeakPolarHBondContact O-CD2 3.42Å; E46-F48 WeakPolarHBondContact O-CE2 3.42Å; E46-F48 WeakPolarHBondContact OE2-CZ 3.39Å | ||
| 47 | R | 95.9 | Very high | 94.4 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.5 | -177.4 | -66 | 173 | 66.2 | -141.7 | -6.3 | 110.7 | C39 V40 M104 E106 | C39-R47 WeakPolarHBondContact O-CA 3.11Å; V40-R47 HydrophobicContact CG2-CG 4.13Å; R47-M104 VanDerWaalsContact C-CG 3.43Å; R47-M104 HydrophobicContact CB-CG 4.14Å; R47-M104 WeakPolarHBondContact O-CG 3.49Å; R47-E106 IonicContact CZ-OE1 3.29Å; R47-E106 IonicContact NH1-OE1 3.46Å; R47-E106 PolarHBondContact NH1-OE1 3.16Å; R47-E106 IonicContact NH2-OE1 2.75Å |
| 48 | F | 96.7 | Very high | 94.1 | Very high | 10 Ų | 10 | 59 Ų | 59 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160.1 | -178.8 | -63.8 | -80.2 | 0 | 0 | 0 | 111.5 | Y20 C39 K41 E46 I79 V101 M102 M104 | Y20-F48 HydrophobicContact CD1-CD2 4.45Å; Y20-F48 AromaticContact CE1-CD2 3.73Å; Y20-F48 HydrophobicContact CE1-CD2 3.73Å; Y20-F48 HydrophobicContact CE1-CE2 4.16Å; Y20-F48 HydrophobicContact CE1-CG 4.36Å; C39-F48 PolarHBondContact N-O 3.32Å; C39-F48 PolarHBondContact O-N 2.92Å; K41-F48 HydrophobicContact CB-CD2 4.13Å; K41-F48 HydrophobicContact CB-CE2 3.66Å; K41-F48 HydrophobicContact CD-CE2 4.38Å; E46-F48 HydrophobicContact CB-CE2 3.68Å; E46-F48 HydrophobicContact CB-CZ 3.96Å; E46-F48 HydrophobicContact CG-CE1 4.35Å; E46-F48 HydrophobicContact CG-CE2 3.76Å; E46-F48 HydrophobicContact CG-CZ 3.63Å; E46-F48 VanDerWaalsContact O-CD2 3.27Å; E46-F48 WeakPolarHBondContact O-CD2 3.42Å; E46-F48 WeakPolarHBondContact O-CE2 3.42Å; E46-F48 WeakPolarHBondContact OE2-CZ 3.39Å; F48-I79 HydrophobicContact CD1-CG1 3.86Å; F48-I79 HydrophobicContact CE1-CD1 4.35Å; F48-I79 HydrophobicContact CE1-CG1 3.88Å; F48-I79 HydrophobicContact CE1-CG2 4.33Å; F48-V101 HydrophobicContact CB-CG1 3.64Å; F48-V101 HydrophobicContact CD1-CG1 4.2Å; F48-V101 HydrophobicContact CG-CG1 3.88Å; F48-M102 WeakPolarHBondContact CB-O 3.23Å; F48-M104 VanDerWaalsContact CA-CG 3.48Å |
| 49 | A | 95.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L28 V36 M102 M104 | L28-A49 HydrophobicContact CD1-CB 4.08Å; V36-A49 HydrophobicContact CG1-CB 4.21Å; A49-M102 HydrophobicContact CB-CB 4.41Å; A49-M102 HydrophobicContact CB-CE 4.37Å; A49-M102 PolarHBondContact N-O 3.44Å; A49-M102 PolarHBondContact O-N 3.05Å; A49-M104 HydrophobicContact CB-SD 3.8Å; A49-M104 PolarHBondContact N-SD 2.96Å |
| 50 | L | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 108.7 | 179.7 | -179.9 | 63.6 | 0 | 0 | 0 | 110.3 | I16 I22 V36 R37 C39 I52 L99 I100 V101 | I16-L50 HydrophobicContact CD1-CD1 3.71Å; I16-L50 HydrophobicContact CD1-CD2 4.26Å; I22-L50 HydrophobicContact CB-CD2 4.49Å; I22-L50 HydrophobicContact CD1-CD2 3.57Å; I22-L50 HydrophobicContact CG1-CD2 3.82Å; I22-L50 HydrophobicContact CG2-CD2 3.86Å; V36-L50 CarbonylContact C-O 3.51Å; V36-L50 VanDerWaalsContact CA-O 3.3Å; V36-L50 WeakPolarHBondContact CA-O 3.38Å; R37-L50 HydrophobicContact CB-CB 4.47Å; R37-L50 PolarHBondContact N-O 2.71Å; R37-L50 PolarHBondContact O-N 2.97Å; C39-L50 HydrophobicContact CB-CB 4.23Å; L50-I52 HydrophobicContact CD2-CD1 4.07Å; L50-I52 HydrophobicContact CD2-CG1 4.19Å; L50-I52 HydrophobicContact CG-CD1 4.26Å; L50-I52 HydrophobicContact CG-CG1 3.91Å; L50-L99 HydrophobicContact CD1-CB 4.05Å; L50-I100 WeakPolarHBondContact CA-O 3.27Å; L50-V101 HydrophobicContact CD1-CG2 4.09Å |
| 51 | K | 92.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.7 | 170.9 | -175.4 | 178.7 | -163.4 | 179.2 | 0 | 110.1 | S33 V36 L53 E62 I100 M102 D169 | S33-K51 VanDerWaalsContact CB-CE 3.45Å; V36-K51 HydrophobicContact CG2-CB 4.26Å; V36-K51 HydrophobicContact CG2-CG 4.24Å; K51-L53 HydrophobicContact CD-CD2 4.45Å; K51-L53 HydrophobicContact CG-CD2 4.22Å; K51-L53 HydrophobicContact CG-CG 4.45Å; K51-E62 WeakPolarHBondContact CE-OE1 3.3Å; K51-E62 IonicContact NZ-OE1 3.63Å; K51-E62 PolarHBondContact NZ-OE1 2.8Å; K51-I100 HydrophobicContact CB-CB 4.3Å; K51-I100 HydrophobicContact CB-CD1 4.39Å; K51-I100 HydrophobicContact CD-CD1 4.21Å; K51-I100 HydrophobicContact CG-CD1 4.36Å; K51-I100 PolarHBondContact N-O 2.84Å; K51-I100 PolarHBondContact O-N 3.43Å; K51-M102 HydrophobicContact CB-CE 3.66Å; K51-M102 HydrophobicContact CD-CE 4.44Å; K51-D169 IonicContact NZ-OD1 2.71Å; K51-D169 PolarHBondContact NZ-OD1 3.06Å |
| 52 | I | 91.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115 | -172.5 | -53.3 | 169.7 | 0 | 0 | 0 | 110 | W24 P35 R37 L50 F88 R97 L99 | W24-I52 HydrophobicContact CH2-CD1 4.19Å; W24-I52 HydrophobicContact CZ3-CD1 3.72Å; P35-I52 WeakPolarHBondContact CD-O 3.48Å; P35-I52 HydrophobicContact CG-CB 4.39Å; P35-I52 PolarHBondContact O-N 2.9Å; P35-I52 VanDerWaalsContact O-N 3.13Å; R37-I52 HydrophobicContact CG-CD1 4.17Å; L50-I52 HydrophobicContact CD2-CD1 4.07Å; L50-I52 HydrophobicContact CD2-CG1 4.19Å; L50-I52 HydrophobicContact CG-CD1 4.26Å; L50-I52 HydrophobicContact CG-CG1 3.91Å; I52-F88 HydrophobicContact CB-CZ 4Å; I52-F88 HydrophobicContact CD1-CE1 4.35Å; I52-F88 HydrophobicContact CD1-CE2 4.41Å; I52-F88 HydrophobicContact CD1-CZ 3.59Å; I52-F88 HydrophobicContact CG1-CZ 4.37Å; I52-F88 HydrophobicContact CG2-CE2 3.57Å; I52-F88 HydrophobicContact CG2-CZ 3.55Å; I52-R97 HydrophobicContact CG2-CB 4.43Å; I52-R97 HydrophobicContact CG2-CG 4.45Å; I52-L99 HydrophobicContact CB-CD2 4.19Å; I52-L99 HydrophobicContact CG1-CD2 3.87Å; I52-L99 HydrophobicContact CG2-CD2 3.63Å |
| 53 | L | 91 | Very high | 92.7 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.5 | -178.4 | -54.5 | -176.5 | 0 | 0 | 0 | 110.5 | S33 K51 D55 A59 R97 L98 I100 | S33-L53 WeakPolarHBondContact O-CD2 3.05Å; K51-L53 HydrophobicContact CD-CD2 4.45Å; K51-L53 HydrophobicContact CG-CD2 4.22Å; K51-L53 HydrophobicContact CG-CG 4.45Å; L53-D55 PolarHBondContact O-N 2.81Å; L53-A59 HydrophobicContact CB-CB 3.93Å; L53-A59 HydrophobicContact CD1-CB 3.8Å; L53-R97 CarbonylContact O-C 3.51Å; L53-R97 WeakPolarHBondContact O-CA 3.2Å; L53-R97 VanDerWaalsContact O-CB 3.23Å; L53-R97 WeakPolarHBondContact O-CB 3.42Å; L53-R97 WeakPolarHBondContact O-CG 3.5Å; L53-L98 HydrophobicContact CB-CB 4.4Å; L53-L98 PolarHBondContact N-O 3.28Å; L53-L98 PolarHBondContact O-N 3.28Å; L53-I100 HydrophobicContact CD1-CD1 3.63Å; L53-I100 HydrophobicContact CG-CD1 4.02Å |
| 54 | L | 91.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.2 | 164 | -71.2 | 173.6 | 0 | 0 | 0 | 108.9 | R56 A59 R95 R97 | L54-R56 HydrophobicContact CB-CG 4.2Å; L54-R56 PolarHBondContact O-N 2.84Å; L54-A59 WeakPolarHBondContact O-CB 3.36Å; L54-R95 HydrophobicContact CD2-CB 4.18Å; L54-R97 HydrophobicContact CD2-CG 4.4Å |
| 55 | D | 93.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | trans | -70.1 | 102 | 179.4 | -170.3 | 2.9 | 0 | 0 | 0 | 110 | L53 R60 A96 L98 | L53-D55 PolarHBondContact O-N 2.81Å; D55-R60 WeakPolarHBondContact OD1-CG 3.43Å; D55-R60 IonicContact OD1-CZ 3.06Å; D55-R60 IonicContact OD1-NE 3.58Å; D55-R60 PolarHBondContact OD1-NE 2.72Å; D55-R60 IonicContact OD1-NH2 3.61Å; D55-R60 IonicContact OD2-CZ 2.77Å; D55-R60 IonicContact OD2-NE 2.73Å; D55-R60 PolarHBondContact OD2-NE 2.78Å; D55-R60 IonicContact OD2-NH2 3.54Å; D55-R60 PolarHBondContact OD2-NH2 2.83Å; D55-A96 HydrophobicContact CB-CB 4.08Å; D55-A96 PolarHBondContact N-O 2.93Å; D55-L98 HydrophobicContact CB-CD2 4.47Å; D55-L98 HydrophobicContact CB-CG 4.09Å | ||
| 56 | R | 91 | Very high | 92 | Very high | 151 Ų | 151 | 46.7 Ų | 46.7 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | trans | -142.8 | 155.3 | -176.3 | -64.3 | -63.7 | -169.7 | -174.1 | 3.8 | 108.2 | L54 K58 A59 R60 | L54-R56 HydrophobicContact CB-CG 4.2Å; L54-R56 PolarHBondContact O-N 2.84Å; R56-K58 PolarHBondContact O-N 2.85Å; R56-K58 VanDerWaalsContact O-N 3.09Å; R56-A59 WeakPolarHBondContact O-CB 3.42Å; R56-A59 PolarHBondContact O-N 3.29Å; R56-R60 PolarHBondContact O-N 3.03Å | ||
| 57 | P | 88.5 | Confident | 91.8 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 71% | 0.714 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -53 | -37.4 | 179.3 | -29 | 35.5 | 0 | 0 | 0 | 114.2 | R60 N61 | P57-R60 PolarHBondContact O-N 3.2Å; P57-N61 WeakPolarHBondContact O-CB 3.47Å; P57-N61 PolarHBondContact O-N 3.42Å |
| 58 | K | 85.3 | Confident | 91.6 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.1 | -44 | 176.1 | -171.2 | -176.1 | 176.2 | -168.6 | 0 | 112.2 | R56 N61 E62 G171 | R56-K58 PolarHBondContact O-N 2.85Å; R56-K58 VanDerWaalsContact O-N 3.09Å; K58-N61 PolarHBondContact O-N 3.33Å; K58-E62 PolarHBondContact O-N 3.15Å; K58-G171 WeakPolarHBondContact CE-O 3.04Å |
| 59 | A | 89.8 | Confident | 91.4 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L53 L54 R56 N61 E62 V63 L98 | L53-A59 HydrophobicContact CB-CB 3.93Å; L53-A59 HydrophobicContact CD1-CB 3.8Å; L54-A59 WeakPolarHBondContact O-CB 3.36Å; R56-A59 WeakPolarHBondContact O-CB 3.42Å; R56-A59 PolarHBondContact O-N 3.29Å; A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 2.87Å; A59-E62 WeakPolarHBondContact O-CB 3.23Å; A59-E62 PolarHBondContact O-N 3.45Å; A59-V63 WeakPolarHBondContact O-CG2 3.24Å; A59-V63 PolarHBondContact O-N 3.26Å; A59-L98 HydrophobicContact CB-CD1 3.9Å |
| 60 | R | 91.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 173.2 | -70.6 | -170.8 | 173.4 | -123.5 | -4.7 | 111.9 | D55 R56 P57 V63 R64 L98 | D55-R60 WeakPolarHBondContact OD1-CG 3.43Å; D55-R60 IonicContact OD1-CZ 3.06Å; D55-R60 IonicContact OD1-NE 3.58Å; D55-R60 PolarHBondContact OD1-NE 2.72Å; D55-R60 IonicContact OD1-NH2 3.61Å; D55-R60 IonicContact OD2-CZ 2.77Å; D55-R60 IonicContact OD2-NE 2.73Å; D55-R60 PolarHBondContact OD2-NE 2.78Å; D55-R60 IonicContact OD2-NH2 3.54Å; D55-R60 PolarHBondContact OD2-NH2 2.83Å; R56-R60 PolarHBondContact O-N 3.03Å; P57-R60 PolarHBondContact O-N 3.2Å; R60-V63 PolarHBondContact O-N 3.12Å; R60-R64 WeakPolarHBondContact O-CB 3.49Å; R60-R64 PolarHBondContact O-N 3.44Å; R60-L98 HydrophobicContact CB-CD1 4.38Å; R60-L98 HydrophobicContact CG-CD1 3.63Å |
| 61 | N | 88.4 | Confident | 90.9 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -40.5 | 175.4 | -176.5 | 73.6 | 0 | 0 | 0 | 112.4 | P57 K58 A59 R64 L65 | P57-N61 WeakPolarHBondContact O-CB 3.47Å; P57-N61 PolarHBondContact O-N 3.42Å; K58-N61 PolarHBondContact O-N 3.33Å; A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 2.87Å; N61-R64 PolarHBondContact O-N 3.44Å; N61-R64 PolarHBondContact OD1-NH2 3.44Å; N61-L65 WeakPolarHBondContact ND2-CD1 3.46Å; N61-L65 VanDerWaalsContact O-CG 3.31Å; N61-L65 WeakPolarHBondContact O-CG 3.3Å; N61-L65 PolarHBondContact O-N 2.83Å |
| 62 | E | 89.9 | Confident | 91.1 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.6 | -50.8 | 173 | 165.3 | -179.2 | 171.3 | 0 | 0 | 111.5 | K51 K58 A59 R64 L65 H66 F170 G171 | K51-E62 WeakPolarHBondContact CE-OE1 3.3Å; K51-E62 IonicContact NZ-OE1 3.63Å; K51-E62 PolarHBondContact NZ-OE1 2.8Å; K58-E62 PolarHBondContact O-N 3.15Å; A59-E62 WeakPolarHBondContact O-CB 3.23Å; A59-E62 PolarHBondContact O-N 3.45Å; E62-R64 VanDerWaalsContact C-N 3.32Å; E62-R64 PolarHBondContact O-N 3.28Å; E62-L65 PolarHBondContact O-N 3.34Å; E62-H66 WeakPolarHBondContact O-CB 3.33Å; E62-H66 PolarHBondContact O-N 2.9Å; E62-F170 HydrophobicContact CG-CB 4.34Å; E62-G171 VanDerWaalsContact OE2-CA 3.29Å; E62-G171 WeakPolarHBondContact OE2-CA 3.47Å |
| 63 | V | 92.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | A59 R60 L65 H66 M67 I78 V81 L98 I100 | A59-V63 WeakPolarHBondContact O-CG2 3.24Å; A59-V63 PolarHBondContact O-N 3.26Å; R60-V63 PolarHBondContact O-N 3.12Å; V63-L65 PolarHBondContact O-N 3Å; V63-H66 PolarHBondContact O-N 3.46Å; V63-M67 HydrophobicContact CG1-CE 3.55Å; V63-M67 HydrophobicContact CG1-CG 4.29Å; V63-M67 HydrophobicContact CG1-SD 4.31Å; V63-M67 WeakPolarHBondContact O-CB 3.44Å; V63-M67 WeakPolarHBondContact O-CG 3.45Å; V63-M67 PolarHBondContact O-N 2.93Å; V63-I78 HydrophobicContact CG1-CD1 4.49Å; V63-V81 HydrophobicContact CG1-CG1 4.06Å; V63-V81 HydrophobicContact CG1-CG2 3.73Å; V63-L98 HydrophobicContact CG2-CD1 4.25Å; V63-I100 HydrophobicContact CG2-CD1 3.5Å; V63-I100 VanDerWaalsContact CG2-CD1 3.5Å; V63-I100 HydrophobicContact CG2-CG1 3.76Å |
| 64 | R | 91.5 | Very high | 91.6 | Very high | 57 Ų | 57 | 51 Ų | 51 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 179.8 | -171.2 | -174.9 | 66.1 | 79.9 | 0.7 | 111.9 | M7 R60 N61 E62 M67 M68 I175 | M7-R64 HydrophobicContact CE-CB 3.99Å; M7-R64 HydrophobicContact CE-CG 3.55Å; R60-R64 WeakPolarHBondContact O-CB 3.49Å; R60-R64 PolarHBondContact O-N 3.44Å; N61-R64 PolarHBondContact O-N 3.44Å; N61-R64 PolarHBondContact OD1-NH2 3.44Å; E62-R64 VanDerWaalsContact C-N 3.32Å; E62-R64 PolarHBondContact O-N 3.28Å; R64-M67 PolarHBondContact O-N 2.88Å; R64-M68 PolarHBondContact NH1-SD 3.32Å; R64-M68 VanDerWaalsContact NH1-SD 3.38Å; R64-M68 VanDerWaalsContact O-CG 3.32Å; R64-M68 WeakPolarHBondContact O-CG 3.46Å; R64-M68 PolarHBondContact O-N 2.92Å; R64-M68 VanDerWaalsContact O-N 3.11Å; R64-I175 VanDerWaalsContact NH2-CD1 3.32Å |
| 65 | L | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | -179.7 | -64.3 | -177.6 | 0 | 0 | 0 | 112.4 | N61 E62 V63 M68 C69 I144 F170 A173 I175 | N61-L65 WeakPolarHBondContact ND2-CD1 3.46Å; N61-L65 VanDerWaalsContact O-CG 3.31Å; N61-L65 WeakPolarHBondContact O-CG 3.3Å; N61-L65 PolarHBondContact O-N 2.83Å; E62-L65 PolarHBondContact O-N 3.34Å; V63-L65 PolarHBondContact O-N 3Å; L65-M68 HydrophobicContact CD2-SD 4.25Å; L65-M68 PolarHBondContact O-N 3.08Å; L65-C69 PolarHBondContact O-N 2.81Å; L65-I144 HydrophobicContact CB-CD1 4.49Å; L65-I144 HydrophobicContact CD2-CD1 3.89Å; L65-I144 HydrophobicContact CD2-CG1 4.1Å; L65-F170 HydrophobicContact CB-CD1 4.35Å; L65-A173 HydrophobicContact CB-CB 4.44Å; L65-A173 VanDerWaalsContact CD1-C 3.46Å; L65-A173 HydrophobicContact CD1-CB 3.91Å; L65-A173 VanDerWaalsContact CD1-O 3.26Å; L65-A173 WeakPolarHBondContact CD1-O 3.46Å; L65-I175 HydrophobicContact CD2-CD1 3.92Å; L65-I175 HydrophobicContact CD2-CG1 3.47Å; L65-I175 VanDerWaalsContact CD2-CG1 3.47Å |
| 66 | H | 93.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 176.3 | -165.3 | 168.9 | 0 | 0 | 0 | 110.6 | E62 V63 M68 C69 A70 V76 I78 F170 | E62-H66 WeakPolarHBondContact O-CB 3.33Å; E62-H66 PolarHBondContact O-N 2.9Å; V63-H66 PolarHBondContact O-N 3.46Å; H66-M68 VanDerWaalsContact C-N 3.31Å; H66-M68 PolarHBondContact O-N 3.33Å; H66-C69 CarbonylContact O-C 3.58Å; H66-C69 PolarHBondContact O-N 3.33Å; H66-A70 WeakPolarHBondContact O-CB 3.23Å; H66-A70 PolarHBondContact O-N 3.12Å; H66-V76 PolarHBondContact NE2-O 3Å; H66-I78 HydrophobicContact CB-CD1 3.66Å; H66-F170 HydrophobicContact CB-CB 3.92Å; H66-F170 HydrophobicContact CB-CD1 4.35Å; H66-F170 HydrophobicContact CB-CD2 3.82Å; H66-F170 HydrophobicContact CB-CE2 4.48Å; H66-F170 HydrophobicContact CB-CG 3.77Å; H66-F170 AromaticContact CD2-CD2 3.67Å; H66-F170 AromaticContact CD2-CE2 3.63Å; H66-F170 AromaticContact CG-CD2 3.46Å; H66-F170 VanDerWaalsContact CG-CD2 3.46Å; H66-F170 AromaticContact CG-CE2 3.93Å; H66-F170 AromaticContact CG-CG 3.96Å; H66-F170 AromaticContact ND1-CD2 3.79Å |
| 67 | M | 92.2 | Very high | 92.3 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 177.8 | -77.4 | -163.6 | -75.8 | 0 | 0 | 112.8 | M7 V63 R64 C69 A70 I78 V81 | M7-M67 HydrophobicContact CE-CB 3.76Å; M7-M67 HydrophobicContact CE-CE 3.16Å; M7-M67 HydrophobicContact CE-CG 4.4Å; M7-M67 HydrophobicContact CE-SD 4.07Å; M7-M67 HydrophobicContact SD-CE 3.82Å; M7-M67 HydrophobicContact SD-SD 4.34Å; V63-M67 HydrophobicContact CG1-CE 3.55Å; V63-M67 HydrophobicContact CG1-CG 4.29Å; V63-M67 HydrophobicContact CG1-SD 4.31Å; V63-M67 WeakPolarHBondContact O-CB 3.44Å; V63-M67 WeakPolarHBondContact O-CG 3.45Å; V63-M67 PolarHBondContact O-N 2.93Å; R64-M67 PolarHBondContact O-N 2.88Å; M67-C69 PolarHBondContact O-N 3.3Å; M67-A70 PolarHBondContact O-N 3.4Å; M67-I78 HydrophobicContact CG-CB 4.33Å; M67-I78 HydrophobicContact CG-CD1 3.68Å; M67-I78 HydrophobicContact CG-CG2 4.22Å; M67-V81 HydrophobicContact SD-CG2 4.2Å |
| 68 | M | 91.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59 | -34.7 | 174.8 | -71 | 174.3 | 72.5 | 0 | 0 | 112.5 | R64 L65 H66 L142 I144 | R64-M68 PolarHBondContact NH1-SD 3.32Å; R64-M68 VanDerWaalsContact NH1-SD 3.38Å; R64-M68 VanDerWaalsContact O-CG 3.32Å; R64-M68 WeakPolarHBondContact O-CG 3.46Å; R64-M68 PolarHBondContact O-N 2.92Å; R64-M68 VanDerWaalsContact O-N 3.11Å; L65-M68 HydrophobicContact CD2-SD 4.25Å; L65-M68 PolarHBondContact O-N 3.08Å; H66-M68 VanDerWaalsContact C-N 3.31Å; H66-M68 PolarHBondContact O-N 3.33Å; M68-L142 WeakPolarHBondContact O-CD1 3.5Å; M68-I144 HydrophobicContact CB-CD1 4.14Å; M68-I144 HydrophobicContact CE-CD1 4.25Å; M68-I144 HydrophobicContact SD-CD1 4.25Å |
| 69 | C | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -94.7 | -15 | -178.4 | -63 | 0 | 0 | 0 | 0 | 114.2 | L65 H66 M67 T71 H72 I75 H138 C139 I144 F170 | L65-C69 PolarHBondContact O-N 2.81Å; H66-C69 CarbonylContact O-C 3.58Å; H66-C69 PolarHBondContact O-N 3.33Å; M67-C69 PolarHBondContact O-N 3.3Å; C69-T71 PolarHBondContact O-N 3.32Å; C69-H72 PolarHBondContact O-N 2.99Å; C69-I75 HydrophobicContact CB-CD1 3.72Å; C69-I75 HydrophobicContact CB-CG2 4.45Å; C69-I75 WeakPolarHBondContact O-CD1 3.38Å; C69-H138 PolarHBondContact O-NE2 3.42Å; C69-C139 VanDerWaalsContact SG-SG 3.65Å; C69-I144 VanDerWaalsContact SG-CD1 3.58Å; C69-F170 HydrophobicContact CB-CE1 3.86Å; C69-F170 HydrophobicContact CB-CZ 3.85Å |
| 70 | A | 90.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 37 Ų | 37 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -4.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H66 M67 H72 | H66-A70 WeakPolarHBondContact O-CB 3.23Å; H66-A70 PolarHBondContact O-N 3.12Å; M67-A70 PolarHBondContact O-N 3.4Å; A70-H72 VanDerWaalsContact C-N 3.28Å |
| 71 | T | 88.3 | Confident | 93.6 | Very high | 111 Ų | 111 | 33 Ų | 33 | 68% | 0.681 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.7 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | C69 | C69-T71 PolarHBondContact O-N 3.32Š|
| 72 | H | 96.4 | Very high | 94 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 13% | 0.13 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.8 | 136.4 | -177.5 | -168.2 | -86.2 | 0 | 0 | 0 | 112.3 | C69 A70 N74 I75 H138 | C69-H72 PolarHBondContact O-N 2.99Å; A70-H72 VanDerWaalsContact C-N 3.28Å; H72-N74 VanDerWaalsContact C-N 3.26Å; H72-N74 PolarHBondContact CE1-OD1 2.95Å; H72-N74 PolarHBondContact ND1-N 3.42Å; H72-N74 VanDerWaalsContact ND1-N 3.16Å; H72-N74 PolarHBondContact O-N 2.97Å; H72-I75 HydrophobicContact CB-CB 4.39Å; H72-I75 HydrophobicContact CB-CD1 3.99Å; H72-I75 HydrophobicContact CB-CG1 4.13Å; H72-I75 PolarHBondContact O-N 3.45Å; H72-H138 HydrophobicContact CB-CB 4.22Å; H72-H138 AromaticContact CD2-CG 3.76Å; H72-H138 AromaticContact CG-CG 3.95Å |
| 73 | P | 96.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 30.7 Ų | 30.7 | 53% | 0.526 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.3 | -175.4 | 23.3 | -35.2 | 0 | 0 | 0 | 114.3 | I75 K166 | P73-I75 VanDerWaalsContact C-N 3.32Å; P73-K166 WeakPolarHBondContact O-CD 3.11Å; P73-K166 WeakPolarHBondContact O-CE 3.36Å; P73-K166 PolarHBondContact O-NZ 3.37Å |
| 74 | N | 97.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 19.2 | 177.2 | -58.1 | 109.2 | 0 | 0 | 0 | 114 | H72 Q131 A135 V165 K166 L167 | H72-N74 VanDerWaalsContact C-N 3.26Å; H72-N74 PolarHBondContact CE1-OD1 2.95Å; H72-N74 PolarHBondContact ND1-N 3.42Å; H72-N74 VanDerWaalsContact ND1-N 3.16Å; H72-N74 PolarHBondContact O-N 2.97Å; N74-Q131 WeakPolarHBondContact CB-O 3.29Å; N74-Q131 WeakPolarHBondContact ND2-CB 3.26Å; N74-Q131 PolarHBondContact ND2-OE1 3.33Å; N74-A135 HydrophobicContact CB-CB 3.86Å; N74-A135 WeakPolarHBondContact O-CB 3.36Å; N74-V165 PolarHBondContact ND2-O 3.29Å; N74-K166 CarbonylContact O-C 3.5Å; N74-K166 VanDerWaalsContact O-CA 3.27Å; N74-K166 WeakPolarHBondContact O-CA 3.46Å; N74-L167 PolarHBondContact O-N 2.73Å |
| 75 | I | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -124.4 | 136.7 | 172.8 | -62.6 | -179.9 | 0 | 0 | 0 | 107.4 | C69 H72 P73 Q77 A135 L167 F170 | C69-I75 HydrophobicContact CB-CD1 3.72Å; C69-I75 HydrophobicContact CB-CG2 4.45Å; C69-I75 WeakPolarHBondContact O-CD1 3.38Å; H72-I75 HydrophobicContact CB-CB 4.39Å; H72-I75 HydrophobicContact CB-CD1 3.99Å; H72-I75 HydrophobicContact CB-CG1 4.13Å; H72-I75 PolarHBondContact O-N 3.45Å; P73-I75 VanDerWaalsContact C-N 3.32Å; I75-Q77 PolarHBondContact O-N 3.43Å; I75-A135 HydrophobicContact CD1-CB 4.35Å; I75-A135 HydrophobicContact CG1-CB 3.86Å; I75-L167 HydrophobicContact CG1-CB 4.49Å; I75-F170 HydrophobicContact CD1-CZ 4.35Å; I75-F170 HydrophobicContact CG2-CE2 3.86Å; I75-F170 HydrophobicContact CG2-CZ 3.9Å |
| 76 | V | 96.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 127.2 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | H66 M102 E103 M105 K166 L167 C168 | H66-V76 PolarHBondContact NE2-O 3Å; V76-M102 HydrophobicContact CG1-CB 3.98Å; V76-M102 HydrophobicContact CG1-CG 4.47Å; V76-M102 HydrophobicContact CG1-SD 4.28Å; V76-E103 WeakPolarHBondContact CA-OE1 3.5Å; V76-E103 HydrophobicContact CG1-CG 3.91Å; V76-M105 HydrophobicContact CG2-CE 4.34Å; V76-M105 HydrophobicContact CG2-CG 3.99Å; V76-M105 HydrophobicContact CG2-SD 4.03Å; V76-K166 HydrophobicContact CG2-CB 3.9Å; V76-L167 PolarHBondContact N-O 3.3Å; V76-C168 HydrophobicContact CB-CB 4.1Å; V76-C168 HydrophobicContact CG2-CB 3.61Å |
| 77 | Q | 95.7 | Very high | 93.7 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -74 | 134.1 | -179.9 | -68 | -176.3 | -10.5 | 0 | 0 | 111.6 | I75 I79 M102 E103 | I75-Q77 PolarHBondContact O-N 3.43Å; Q77-I79 HydrophobicContact CB-CD1 4.27Å; Q77-M102 VanDerWaalsContact O-CA 3.24Å; Q77-M102 WeakPolarHBondContact O-CA 3.44Å; Q77-M102 WeakPolarHBondContact O-CB 3.27Å; Q77-E103 HydrophobicContact CB-CB 4.44Å; Q77-E103 HydrophobicContact CB-CG 4.18Å; Q77-E103 PolarHBondContact N-OE1 3.41Å; Q77-E103 PolarHBondContact O-N 2.99Å |
| 78 | I | 94.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.1 | 162.3 | -67.9 | 177 | 0 | 0 | 0 | 107.1 | V63 H66 M67 V81 I100 M102 | V63-I78 HydrophobicContact CG1-CD1 4.49Å; H66-I78 HydrophobicContact CB-CD1 3.66Å; M67-I78 HydrophobicContact CG-CB 4.33Å; M67-I78 HydrophobicContact CG-CD1 3.68Å; M67-I78 HydrophobicContact CG-CG2 4.22Å; I78-V81 HydrophobicContact CG2-CG2 3.65Å; I78-I100 HydrophobicContact CD1-CG2 3.94Å; I78-I100 HydrophobicContact CG1-CG2 3.92Å; I78-I100 HydrophobicContact CG2-CG2 4.12Å; I78-M102 HydrophobicContact CG1-CG 4.29Å |
| 79 | I | 95.7 | Very high | 92 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -55.3 | 178.6 | -47.9 | -57.8 | 0 | 0 | 0 | 108.5 | F48 Q77 V101 E103 | F48-I79 HydrophobicContact CD1-CG1 3.86Å; F48-I79 HydrophobicContact CE1-CD1 4.35Å; F48-I79 HydrophobicContact CE1-CG1 3.88Å; F48-I79 HydrophobicContact CE1-CG2 4.33Å; Q77-I79 HydrophobicContact CB-CD1 4.27Å; I79-V101 HydrophobicContact CB-CB 4.46Å; I79-V101 HydrophobicContact CB-CG1 4.13Å; I79-V101 HydrophobicContact CG1-CG1 4.47Å; I79-V101 PolarHBondContact N-O 2.91Å; I79-E103 HydrophobicContact CD1-CB 4.44Å |
| 80 | E | 95.6 | Very high | 91.1 | Very high | 30 Ų | 30 | 49 Ų | 49 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 152.9 | -175.4 | -65.3 | 179.2 | 86.3 | 0 | 0 | 110.6 | K12 Y20 K41 F82 V101 | K12-E80 VanDerWaalsContact CE-OE1 3.23Å; K12-E80 WeakPolarHBondContact CE-OE1 3.49Å; K12-E80 IonicContact NZ-OE1 3.43Å; K12-E80 PolarHBondContact NZ-OE1 3Å; Y20-E80 PolarHBondContact OH-OE2 3.45Å; K41-E80 IonicContact NZ-OE2 2.95Å; K41-E80 PolarHBondContact NZ-OE2 2.85Å; E80-F82 HydrophobicContact CB-CE2 3.73Å; E80-F82 HydrophobicContact CB-CZ 4.32Å; E80-V101 HydrophobicContact CB-CB 4.35Å; E80-V101 PolarHBondContact N-O 2.9Å; E80-V101 WeakPolarHBondContact O-CB 3.47Å; E80-V101 PolarHBondContact O-N 2.73Å |
| 81 | V | 96.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | I11 K12 V63 M67 I78 L99 I100 | I11-V81 HydrophobicContact CG1-CB 4.42Å; I11-V81 HydrophobicContact CG1-CG1 4.16Å; I11-V81 HydrophobicContact CG2-CG1 4.32Å; K12-V81 PolarHBondContact N-O 2.85Å; V63-V81 HydrophobicContact CG1-CG1 4.06Å; V63-V81 HydrophobicContact CG1-CG2 3.73Å; M67-V81 HydrophobicContact SD-CG2 4.2Å; I78-V81 HydrophobicContact CG2-CG2 3.65Å; V81-L99 WeakPolarHBondContact CA-O 3.31Å; V81-I100 HydrophobicContact CG1-CG1 4.45Å; V81-I100 HydrophobicContact CG2-CG2 4.43Å |
| 82 | F | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.6 | 176.2 | -55.4 | -106.8 | 0 | 0 | 0 | 110.8 | K12 I16 Y20 E80 L98 L99 V101 | K12-F82 HydrophobicContact CB-CD1 3.54Å; K12-F82 HydrophobicContact CB-CE1 3.87Å; K12-F82 HydrophobicContact CB-CG 4.14Å; K12-F82 HydrophobicContact CD-CD1 3.95Å; K12-F82 HydrophobicContact CD-CE1 3.37Å; K12-F82 HydrophobicContact CD-CE2 4.45Å; K12-F82 HydrophobicContact CD-CZ 3.65Å; K12-F82 HydrophobicContact CG-CD1 4.39Å; K12-F82 HydrophobicContact CG-CE1 4.27Å; K12-F82 CarbonylContact O-C 3.49Å; K12-F82 VanDerWaalsContact O-CA 3.23Å; K12-F82 WeakPolarHBondContact O-CA 3.44Å; I16-F82 HydrophobicContact CB-CB 4.31Å; I16-F82 HydrophobicContact CB-CD1 4.06Å; I16-F82 HydrophobicContact CB-CD2 4.17Å; I16-F82 HydrophobicContact CB-CE1 4.43Å; I16-F82 HydrophobicContact CB-CG 3.93Å; I16-F82 HydrophobicContact CD1-CD2 3.76Å; I16-F82 HydrophobicContact CD1-CE2 4.11Å; I16-F82 HydrophobicContact CD1-CG 4.32Å; I16-F82 HydrophobicContact CG1-CD1 4.46Å; I16-F82 HydrophobicContact CG1-CD2 3.84Å; I16-F82 HydrophobicContact CG1-CE2 3.93Å; I16-F82 HydrophobicContact CG1-CG 4.14Å; I16-F82 HydrophobicContact CG1-CZ 4.28Å; Y20-F82 HydrophobicContact CD2-CE2 4.31Å; Y20-F82 HydrophobicContact CD2-CZ 4.21Å; Y20-F82 HydrophobicContact CE2-CE2 4.05Å; Y20-F82 AromaticContact CE2-CZ 3.98Å; Y20-F82 HydrophobicContact CE2-CZ 3.98Å; E80-F82 HydrophobicContact CB-CE2 3.73Å; E80-F82 HydrophobicContact CB-CZ 4.32Å; F82-L98 CarbonylContact O-C 3.57Å; F82-L98 WeakPolarHBondContact O-CA 3.47Å; F82-L99 HydrophobicContact CB-CB 4.12Å; F82-L99 HydrophobicContact CB-CD1 4.42Å; F82-L99 PolarHBondContact N-O 2.83Å; F82-L99 PolarHBondContact O-N 3.04Å; F82-V101 HydrophobicContact CD2-CG2 4.29Å; F82-V101 HydrophobicContact CE2-CG2 3.97Å |
| 83 | A | 95.8 | Very high | 90.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 101.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | I11 K12 R97 L98 | I11-A83 HydrophobicContact CG2-CB 3.57Å; K12-A83 PolarHBondContact O-N 3.19Å; A83-R97 WeakPolarHBondContact CA-O 3.48Å; A83-L98 HydrophobicContact CB-CD2 4.14Å |
| 84 | N | 94.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.5 | -177.6 | -62.3 | 161.2 | 0 | 0 | 0 | 111.3 | E13 T14 I16 V86 R97 L99 | E13-N84 PolarHBondContact O-ND2 3.39Å; T14-N84 PolarHBondContact O-ND2 3.49Å; T14-N84 PolarHBondContact O-OD1 3.35Å; I16-N84 PolarHBondContact N-OD1 2.96Å; N84-V86 HydrophobicContact CB-CG2 4.11Å; N84-R97 PolarHBondContact N-O 2.71Å; N84-R97 PolarHBondContact O-N 2.93Å; N84-L99 HydrophobicContact CB-CD1 3.95Å |
| 85 | S | 93 | Very high | 89.5 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.7 | 167.7 | -73 | 0 | 0 | 0 | 0 | 109.9 | R95 | S85-R95 WeakPolarHBondContact CA-O 3.33Å |
| 86 | V | 84.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.3 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | W24 N84 R95 R97 L99 | W24-V86 HydrophobicContact CH2-CG1 3.78Å; W24-V86 HydrophobicContact CZ2-CG1 4.21Å; N84-V86 HydrophobicContact CB-CG2 4.11Å; V86-R95 PolarHBondContact N-O 3.2Å; V86-R95 PolarHBondContact O-N 3.4Å; V86-R97 PolarHBondContact O-NE 2.94Å; V86-L99 HydrophobicContact CG2-CD1 3.97Å |
| 87 | Q | 83.6 | Confident | 89.2 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 123.4 | 174 | -173.8 | 177 | 2.7 | 0 | 0 | 109.8 | E91 P94 | Q87-E91 HydrophobicContact CG-CB 4.28Å; Q87-E91 PolarHBondContact NE2-O 3.4Å; Q87-P94 HydrophobicContact CB-CB 4.29Å; Q87-P94 HydrophobicContact CB-CG 4.16Å |
| 88 | F | 76.8 | Confident | 89.2 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 157.6 | 171 | -88.2 | -104.9 | 0 | 0 | 0 | 111.4 | W24 P35 I52 H90 E91 R97 | W24-F88 HydrophobicContact CZ3-CE1 4.12Å; W24-F88 HydrophobicContact CZ3-CE2 4.46Å; W24-F88 HydrophobicContact CZ3-CZ 4.03Å; P35-F88 HydrophobicContact CG-CE1 4.03Å; P35-F88 HydrophobicContact CG-CZ 4.04Å; I52-F88 HydrophobicContact CB-CZ 4Å; I52-F88 HydrophobicContact CD1-CE1 4.35Å; I52-F88 HydrophobicContact CD1-CE2 4.41Å; I52-F88 HydrophobicContact CD1-CZ 3.59Å; I52-F88 HydrophobicContact CG1-CZ 4.37Å; I52-F88 HydrophobicContact CG2-CE2 3.57Å; I52-F88 HydrophobicContact CG2-CZ 3.55Å; F88-H90 PolarHBondContact O-N 2.97Å; F88-E91 HydrophobicContact CB-CG 4.16Å; F88-E91 PolarHBondContact N-OE2 2.95Å; F88-E91 PolarHBondContact O-N 3.48Å; F88-R97 VanDerWaalsContact CD2-NH2 3.31Å |
| 89 | P | 71.1 | Confident | 89.2 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 131.6 | 162.9 | -23.2 | 33.7 | 0 | 0 | 0 | 109.1 | ||
| 90 | H | 74.8 | Confident | 89.2 | Confident | 197 Ų | 197 | 51.6 Ų | 51.6 | 91% | 0.912 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 3.5 | -177.2 | -38.8 | -68.7 | 0 | 0 | 0 | 117.3 | F88 | F88-H90 PolarHBondContact O-N 2.97Š|
| 91 | E | 83.4 | Confident | 89.2 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | trans | -93.5 | 140.1 | 168.7 | -68.2 | -173.1 | 148.7 | 0 | 0 | 111.7 | Q87 F88 R95 R97 | Q87-E91 HydrophobicContact CG-CB 4.28Å; Q87-E91 PolarHBondContact NE2-O 3.4Å; F88-E91 HydrophobicContact CB-CG 4.16Å; F88-E91 PolarHBondContact N-OE2 2.95Å; F88-E91 PolarHBondContact O-N 3.48Å; E91-R95 WeakPolarHBondContact OE1-CD 3.09Å; E91-R95 IonicContact OE1-NH1 2.64Å; E91-R97 IonicContact OE1-CZ 2.73Å; E91-R97 IonicContact OE1-NH2 2.61Å; E91-R97 PolarHBondContact OE1-NH2 3.39Å; E91-R97 IonicContact OE2-CZ 3.74Å; E91-R97 IonicContact OE2-NH2 2.7Å; E91-R97 PolarHBondContact OE2-NH2 2.98Å | ||
| 92 | S | 85.1 | Confident | 89.2 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 87% | 0.867 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -78.1 | -18.2 | -179.9 | 42.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 93 | S | 88.3 | Confident | 89.2 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -151.6 | 154.5 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 94 | P | 89.1 | Confident | 89.1 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | trans | -58.2 | 145.6 | 170.9 | -20.7 | 31.2 | 0 | 0 | 0 | 111.7 | Q87 | Q87-P94 HydrophobicContact CB-CB 4.29Å; Q87-P94 HydrophobicContact CB-CG 4.16Å | ||
| 95 | R | 91.9 | Very high | 89.1 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.2 | 177 | -59.4 | 179.9 | 72.5 | -179.2 | 5.3 | 110.2 | L54 S85 V86 E91 R97 | L54-R95 HydrophobicContact CD2-CB 4.18Å; S85-R95 WeakPolarHBondContact CA-O 3.33Å; V86-R95 PolarHBondContact N-O 3.2Å; V86-R95 PolarHBondContact O-N 3.4Å; E91-R95 WeakPolarHBondContact OE1-CD 3.09Å; E91-R95 IonicContact OE1-NH1 2.64Å; R95-R97 WeakPolarHBondContact O-CG 3.24Å; R95-R97 PolarHBondContact O-N 3.09Å |
| 96 | A | 94 | Very high | 89.1 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 126.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D55 | D55-A96 HydrophobicContact CB-CB 4.08Å; D55-A96 PolarHBondContact N-O 2.93Å |
| 97 | R | 93.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 51 Ų | 51 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.4 | -173.7 | -70.9 | 172.4 | -170.1 | -75 | -3.2 | 111.4 | I52 L53 L54 A83 N84 V86 F88 E91 R95 L99 | I52-R97 HydrophobicContact CG2-CB 4.43Å; I52-R97 HydrophobicContact CG2-CG 4.45Å; L53-R97 CarbonylContact O-C 3.51Å; L53-R97 WeakPolarHBondContact O-CA 3.2Å; L53-R97 VanDerWaalsContact O-CB 3.23Å; L53-R97 WeakPolarHBondContact O-CB 3.42Å; L53-R97 WeakPolarHBondContact O-CG 3.5Å; L54-R97 HydrophobicContact CD2-CG 4.4Å; A83-R97 WeakPolarHBondContact CA-O 3.48Å; N84-R97 PolarHBondContact N-O 2.71Å; N84-R97 PolarHBondContact O-N 2.93Å; V86-R97 PolarHBondContact O-NE 2.94Å; F88-R97 VanDerWaalsContact CD2-NH2 3.31Å; E91-R97 IonicContact OE1-CZ 2.73Å; E91-R97 IonicContact OE1-NH2 2.61Å; E91-R97 PolarHBondContact OE1-NH2 3.39Å; E91-R97 IonicContact OE2-CZ 3.74Å; E91-R97 IonicContact OE2-NH2 2.7Å; E91-R97 PolarHBondContact OE2-NH2 2.98Å; R95-R97 WeakPolarHBondContact O-CG 3.24Å; R95-R97 PolarHBondContact O-N 3.09Å; R97-L99 HydrophobicContact CB-CD2 4.27Å |
| 98 | L | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.6 | 165 | -60.9 | 171.8 | 0 | 0 | 0 | 108.5 | L53 D55 A59 R60 V63 F82 A83 | L53-L98 HydrophobicContact CB-CB 4.4Å; L53-L98 PolarHBondContact N-O 3.28Å; L53-L98 PolarHBondContact O-N 3.28Å; D55-L98 HydrophobicContact CB-CD2 4.47Å; D55-L98 HydrophobicContact CB-CG 4.09Å; A59-L98 HydrophobicContact CB-CD1 3.9Å; R60-L98 HydrophobicContact CB-CD1 4.38Å; R60-L98 HydrophobicContact CG-CD1 3.63Å; V63-L98 HydrophobicContact CG2-CD1 4.25Å; F82-L98 CarbonylContact O-C 3.57Å; F82-L98 WeakPolarHBondContact O-CA 3.47Å; A83-L98 HydrophobicContact CB-CD2 4.14Å |
| 99 | L | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.7 | -176.5 | -57.1 | 178.7 | 0 | 0 | 0 | 107.4 | I16 L50 I52 V81 F82 N84 V86 R97 | I16-L99 HydrophobicContact CB-CD1 4Å; I16-L99 HydrophobicContact CD1-CB 3.95Å; I16-L99 HydrophobicContact CD1-CD1 4.12Å; I16-L99 HydrophobicContact CG2-CD1 3.52Å; L50-L99 HydrophobicContact CD1-CB 4.05Å; I52-L99 HydrophobicContact CB-CD2 4.19Å; I52-L99 HydrophobicContact CG1-CD2 3.87Å; I52-L99 HydrophobicContact CG2-CD2 3.63Å; V81-L99 WeakPolarHBondContact CA-O 3.31Å; F82-L99 HydrophobicContact CB-CB 4.12Å; F82-L99 HydrophobicContact CB-CD1 4.42Å; F82-L99 PolarHBondContact N-O 2.83Å; F82-L99 PolarHBondContact O-N 3.04Å; N84-L99 HydrophobicContact CB-CD1 3.95Å; V86-L99 HydrophobicContact CG2-CD1 3.97Å; R97-L99 HydrophobicContact CB-CD2 4.27Å |
| 100 | I | 95.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 107.2 | -169.9 | -50.1 | 153.7 | 0 | 0 | 0 | 107.2 | L50 K51 L53 V63 I78 V81 M102 | L50-I100 WeakPolarHBondContact CA-O 3.27Å; K51-I100 HydrophobicContact CB-CB 4.3Å; K51-I100 HydrophobicContact CB-CD1 4.39Å; K51-I100 HydrophobicContact CD-CD1 4.21Å; K51-I100 HydrophobicContact CG-CD1 4.36Å; K51-I100 PolarHBondContact N-O 2.84Å; K51-I100 PolarHBondContact O-N 3.43Å; L53-I100 HydrophobicContact CD1-CD1 3.63Å; L53-I100 HydrophobicContact CG-CD1 4.02Å; V63-I100 HydrophobicContact CG2-CD1 3.5Å; V63-I100 VanDerWaalsContact CG2-CD1 3.5Å; V63-I100 HydrophobicContact CG2-CG1 3.76Å; I78-I100 HydrophobicContact CD1-CG2 3.94Å; I78-I100 HydrophobicContact CG1-CG2 3.92Å; I78-I100 HydrophobicContact CG2-CG2 4.12Å; V81-I100 HydrophobicContact CG1-CG1 4.45Å; V81-I100 HydrophobicContact CG2-CG2 4.43Å; I100-M102 HydrophobicContact CG2-CG 3.87Å; I100-M102 HydrophobicContact CG2-SD 4.31Å |
| 101 | V | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.9 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | I16 Y20 F48 L50 I79 E80 F82 | I16-V101 HydrophobicContact CD1-CG2 3.98Å; Y20-V101 HydrophobicContact CE1-CG1 3.83Å; Y20-V101 HydrophobicContact CE1-CG2 4.47Å; Y20-V101 HydrophobicContact CE2-CG2 4.31Å; F48-V101 HydrophobicContact CB-CG1 3.64Å; F48-V101 HydrophobicContact CD1-CG1 4.2Å; F48-V101 HydrophobicContact CG-CG1 3.88Å; L50-V101 HydrophobicContact CD1-CG2 4.09Å; I79-V101 HydrophobicContact CB-CB 4.46Å; I79-V101 HydrophobicContact CB-CG1 4.13Å; I79-V101 HydrophobicContact CG1-CG1 4.47Å; I79-V101 PolarHBondContact N-O 2.91Å; E80-V101 HydrophobicContact CB-CB 4.35Å; E80-V101 PolarHBondContact N-O 2.9Å; E80-V101 WeakPolarHBondContact O-CB 3.47Å; E80-V101 PolarHBondContact O-N 2.73Å; F82-V101 HydrophobicContact CD2-CG2 4.29Å; F82-V101 HydrophobicContact CE2-CG2 3.97Å |
| 102 | M | 96 | Very high | 92.1 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.4 | -177.6 | -59.5 | 178 | -60.7 | 0 | 0 | 110 | F48 A49 K51 V76 Q77 I78 I100 | F48-M102 WeakPolarHBondContact CB-O 3.23Å; A49-M102 HydrophobicContact CB-CB 4.41Å; A49-M102 HydrophobicContact CB-CE 4.37Å; A49-M102 PolarHBondContact N-O 3.44Å; A49-M102 PolarHBondContact O-N 3.05Å; K51-M102 HydrophobicContact CB-CE 3.66Å; K51-M102 HydrophobicContact CD-CE 4.44Å; V76-M102 HydrophobicContact CG1-CB 3.98Å; V76-M102 HydrophobicContact CG1-CG 4.47Å; V76-M102 HydrophobicContact CG1-SD 4.28Å; Q77-M102 VanDerWaalsContact O-CA 3.24Å; Q77-M102 WeakPolarHBondContact O-CA 3.44Å; Q77-M102 WeakPolarHBondContact O-CB 3.27Å; I78-M102 HydrophobicContact CG1-CG 4.29Å; I100-M102 HydrophobicContact CG2-CG 3.87Å; I100-M102 HydrophobicContact CG2-SD 4.31Å |
| 103 | E | 95.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 145.8 | 171 | 67.5 | 174.8 | 135.5 | 0 | 0 | 111.6 | V76 Q77 I79 M105 K157 K166 | V76-E103 WeakPolarHBondContact CA-OE1 3.5Å; V76-E103 HydrophobicContact CG1-CG 3.91Å; Q77-E103 HydrophobicContact CB-CB 4.44Å; Q77-E103 HydrophobicContact CB-CG 4.18Å; Q77-E103 PolarHBondContact N-OE1 3.41Å; Q77-E103 PolarHBondContact O-N 2.99Å; I79-E103 HydrophobicContact CD1-CB 4.44Å; E103-M105 HydrophobicContact CG-SD 4.08Å; E103-K157 WeakPolarHBondContact OE2-CE 3.47Å; E103-K157 IonicContact OE2-NZ 2.77Å; E103-K157 PolarHBondContact OE2-NZ 3.09Å; E103-K166 WeakPolarHBondContact OE1-CD 3.5Å; E103-K166 IonicContact OE1-NZ 2.74Å; E103-K166 PolarHBondContact OE1-NZ 2.88Å; E103-K166 IonicContact OE2-NZ 3.5Å; E103-K166 PolarHBondContact OE2-NZ 2.9Å |
| 104 | M | 94.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 28.7 Ų | 28.7 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | trans | -71.8 | 140.5 | 173.5 | -78.8 | -63.1 | -77.1 | 0 | 0 | 111.6 | L28 V38 R47 F48 A49 E106 K157 | L28-M104 HydrophobicContact CD1-CE 3.9Å; L28-M104 HydrophobicContact CD1-SD 3.84Å; L28-M104 HydrophobicContact CD2-CE 4.31Å; V38-M104 HydrophobicContact CG2-CE 4.31Å; R47-M104 VanDerWaalsContact C-CG 3.43Å; R47-M104 HydrophobicContact CB-CG 4.14Å; R47-M104 WeakPolarHBondContact O-CG 3.49Å; F48-M104 VanDerWaalsContact CA-CG 3.48Å; A49-M104 HydrophobicContact CB-SD 3.8Å; A49-M104 PolarHBondContact N-SD 2.96Å; M104-E106 HydrophobicContact CB-CG 4.34Å; M104-E106 HydrophobicContact CE-CG 4.35Å; M104-K157 WeakPolarHBondContact O-CD 3.12Å; M104-K157 PolarHBondContact O-NZ 3.17Å | ||
| 105 | M | 94.4 | Very high | 92.1 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | trans | -121.2 | 97.5 | 175 | -57.2 | -57.8 | -67.6 | 0 | 0 | 108.4 | V76 E103 L155 K157 K166 | V76-M105 HydrophobicContact CG2-CE 4.34Å; V76-M105 HydrophobicContact CG2-CG 3.99Å; V76-M105 HydrophobicContact CG2-SD 4.03Å; E103-M105 HydrophobicContact CG-SD 4.08Å; M105-L155 HydrophobicContact CB-CB 3.93Å; M105-L155 HydrophobicContact CB-CD1 3.91Å; M105-L155 HydrophobicContact CE-CB 3.9Å; M105-L155 VanDerWaalsContact CE-O 3.23Å; M105-L155 WeakPolarHBondContact CE-O 3.38Å; M105-L155 HydrophobicContact CG-CB 4.2Å; M105-L155 HydrophobicContact CG-CD1 4.08Å; M105-K157 VanDerWaalsContact CE-CA 3.49Å; M105-K157 HydrophobicContact CE-CB 4.22Å; M105-K157 HydrophobicContact SD-CD 3.88Å; M105-K166 HydrophobicContact CE-CB 3.72Å; M105-K166 HydrophobicContact CE-CD 3.88Å; M105-K166 HydrophobicContact CE-CG 3.75Å; M105-K166 HydrophobicContact SD-CD 4.09Å | ||
| 106 | E | 92 | Very high | 91.7 | Very high | 93 Ų | 93 | 26.5 Ų | 26.5 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | trans | -100.2 | -7.6 | -171.5 | -62.4 | -171 | 124.9 | 0 | 0 | 113.4 | R47 M104 G108 K157 N159 | R47-E106 IonicContact CZ-OE1 3.29Å; R47-E106 IonicContact NH1-OE1 3.46Å; R47-E106 PolarHBondContact NH1-OE1 3.16Å; R47-E106 IonicContact NH2-OE1 2.75Å; M104-E106 HydrophobicContact CB-CG 4.34Å; M104-E106 HydrophobicContact CE-CG 4.35Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.17Å; E106-K157 PolarHBondContact N-O 2.91Å; E106-N159 PolarHBondContact O-ND2 3.45Å | ||
| 107 | G | 90.5 | Very high | 91 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -79.4 | -6.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R113 F156 D158 | G107-R113 WeakPolarHBondContact O-CD 3.3Å; G107-F156 WeakPolarHBondContact CA-O 3.5Å; G107-F156 PolarHBondContact N-O 3.3Å; G107-D158 VanDerWaalsContact CA-C 3.43Å; G107-D158 WeakPolarHBondContact CA-O 3.3Å |
| 108 | G | 90.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.8 | -176 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E106 L155 F156 | E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.17Å; G108-L155 WeakPolarHBondContact O-CA 3.45Å; G108-F156 PolarHBondContact O-N 3.24Å |
| 109 | E | 91.1 | Very high | 89.3 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 32% | 0.318 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 151 | -178.7 | -63 | 171.2 | -165.2 | 0 | 0 | 112.2 | F111 H112 R113 L155 Q330 | E109-F111 PolarHBondContact O-N 3.34Å; E109-H112 HydrophobicContact CB-CB 4.28Å; E109-H112 WeakPolarHBondContact O-CB 3.45Å; E109-H112 PolarHBondContact O-N 2.91Å; E109-H112 VanDerWaalsContact O-N 3.11Å; E109-R113 PolarHBondContact O-N 3.45Å; E109-L155 HydrophobicContact CB-CD2 4.35Å; E109-L155 HydrophobicContact CG-CD2 3.71Å; E109-Q330 PolarHBondContact OE2-NE2 2.97Å |
| 110 | L | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -48 | -55.1 | -175.8 | 173.6 | 58.3 | 0 | 0 | 0 | 114.2 | R113 I114 V128 I132 L154 F156 I230 M234 | L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.42Å; L110-I114 HydrophobicContact CD1-CD1 3.97Å; L110-I114 HydrophobicContact CG-CD1 4.35Å; L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 3.38Å; L110-I114 VanDerWaalsContact O-N 3.1Å; L110-V128 HydrophobicContact CD1-CG1 3.7Å; L110-V128 HydrophobicContact CD2-CG1 4.43Å; L110-I132 HydrophobicContact CD2-CD1 4.38Å; L110-L154 HydrophobicContact CB-CB 4.04Å; L110-L154 HydrophobicContact CD2-CB 4.39Å; L110-L154 HydrophobicContact CD2-CD1 3.8Å; L110-L154 PolarHBondContact N-O 3.16Å; L110-F156 HydrophobicContact CD1-CE2 3.77Å; L110-F156 HydrophobicContact CD1-CZ 4Å; L110-I230 HydrophobicContact CD2-CG2 3.79Å; L110-M234 HydrophobicContact CD1-SD 4.11Å; L110-M234 HydrophobicContact CD2-CG 4.33Å; L110-M234 HydrophobicContact CD2-SD 3.88Å; L110-M234 HydrophobicContact CG-SD 4.4Å |
| 111 | F | 88.9 | Confident | 89 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.1 | -27.7 | -177.4 | -64 | -22.4 | 0 | 0 | 0 | 113.2 | E109 R113 I114 S115 P151 I230 V233 M234 M320 V326 I329 | E109-F111 PolarHBondContact O-N 3.34Å; F111-R113 VanDerWaalsContact C-N 3.32Å; F111-I114 HydrophobicContact CD1-CD1 4.18Å; F111-I114 PolarHBondContact O-N 3.14Å; F111-S115 PolarHBondContact O-N 3.4Å; F111-S115 PolarHBondContact O-OG 2.95Å; F111-P151 HydrophobicContact CD2-CB 3.53Å; F111-P151 HydrophobicContact CD2-CG 3.49Å; F111-P151 VanDerWaalsContact CD2-CG 3.49Å; F111-P151 HydrophobicContact CE2-CB 3.61Å; F111-P151 HydrophobicContact CE2-CG 3.04Å; F111-P151 HydrophobicContact CG-CB 4.11Å; F111-P151 HydrophobicContact CG-CG 4.43Å; F111-P151 HydrophobicContact CZ-CB 4.22Å; F111-P151 HydrophobicContact CZ-CG 3.67Å; F111-I230 HydrophobicContact CZ-CG2 4.44Å; F111-V233 HydrophobicContact CD1-CG1 4.4Å; F111-V233 HydrophobicContact CD2-CG1 4.11Å; F111-V233 HydrophobicContact CE1-CB 4.28Å; F111-V233 HydrophobicContact CE1-CG1 3.75Å; F111-V233 HydrophobicContact CE2-CB 4.12Å; F111-V233 HydrophobicContact CE2-CG1 3.37Å; F111-V233 HydrophobicContact CZ-CB 3.61Å; F111-V233 HydrophobicContact CZ-CG1 3.2Å; F111-V233 HydrophobicContact CZ-CG2 4.48Å; F111-M234 HydrophobicContact CE1-CG 3.75Å; F111-M320 HydrophobicContact CB-CE 4.48Å; F111-M320 HydrophobicContact CB-SD 4.15Å; F111-M320 HydrophobicContact CD1-CE 3.97Å; F111-M320 HydrophobicContact CD1-SD 4.32Å; F111-M320 HydrophobicContact CD2-CE 4.37Å; F111-M320 HydrophobicContact CE1-CE 4.31Å; F111-M320 HydrophobicContact CG-CE 4.04Å; F111-M320 HydrophobicContact CG-SD 4.3Å; F111-V326 HydrophobicContact CB-CG1 4.04Å; F111-I329 HydrophobicContact CD2-CG2 4.28Å; F111-I329 HydrophobicContact CE2-CG2 3.93Å |
| 112 | H | 86.9 | Confident | 88.8 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 171.2 | -172.8 | 68.8 | 0 | 0 | 0 | 111.2 | E109 S115 Q116 | E109-H112 HydrophobicContact CB-CB 4.28Å; E109-H112 WeakPolarHBondContact O-CB 3.45Å; E109-H112 PolarHBondContact O-N 2.91Å; E109-H112 VanDerWaalsContact O-N 3.11Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 PolarHBondContact O-OG 2.9Å; H112-Q116 PolarHBondContact CD2-NE2 3.36Å; H112-Q116 PolarHBondContact NE2-NE2 3.42Å; H112-Q116 WeakPolarHBondContact O-CG 3.01Å; H112-Q116 PolarHBondContact O-N 2.86Å |
| 113 | R | 87.9 | Confident | 88.6 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.9 | -168.3 | 76.6 | 174.5 | 147.6 | 5.2 | 110.9 | G107 E109 L110 F111 S115 Q116 H117 F156 N159 S160 | G107-R113 WeakPolarHBondContact O-CD 3.3Å; E109-R113 PolarHBondContact O-N 3.45Å; L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.42Å; F111-R113 VanDerWaalsContact C-N 3.32Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 2.86Å; R113-Q116 PolarHBondContact O-N 2.77Å; R113-H117 PolarHBondContact O-ND1 3.43Å; R113-F156 HydrophobicContact CB-CD2 3.59Å; R113-F156 HydrophobicContact CB-CE2 3.58Å; R113-F156 HydrophobicContact CG-CD2 3.61Å; R113-F156 HydrophobicContact CG-CE2 3.63Å; R113-F156 HydrophobicContact CG-CG 4.3Å; R113-F156 HydrophobicContact CG-CZ 4.36Å; R113-N159 PolarHBondContact NH1-OD1 2.82Å; R113-N159 PolarHBondContact NH2-O 3.46Å; R113-S160 PolarHBondContact NH2-O 3Å |
| 114 | I | 88.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.5 | -69.1 | 169 | 0 | 0 | 0 | 111 | L110 F111 Q116 H117 F120 M234 A317 M320 | L110-I114 HydrophobicContact CD1-CD1 3.97Å; L110-I114 HydrophobicContact CG-CD1 4.35Å; L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 3.38Å; L110-I114 VanDerWaalsContact O-N 3.1Å; F111-I114 HydrophobicContact CD1-CD1 4.18Å; F111-I114 PolarHBondContact O-N 3.14Å; I114-Q116 PolarHBondContact O-N 3.25Å; I114-H117 PolarHBondContact O-N 3.39Å; I114-H117 VanDerWaalsContact O-N 3.13Å; I114-F120 HydrophobicContact CD1-CD1 4.17Å; I114-F120 HydrophobicContact CD1-CE1 3.64Å; I114-F120 HydrophobicContact CD1-CE2 4.12Å; I114-F120 HydrophobicContact CD1-CZ 3.6Å; I114-F120 HydrophobicContact CG1-CD1 4.23Å; I114-F120 HydrophobicContact CG1-CD2 4.05Å; I114-F120 HydrophobicContact CG1-CE1 4.09Å; I114-F120 HydrophobicContact CG1-CE2 3.91Å; I114-F120 HydrophobicContact CG1-CG 4.21Å; I114-F120 HydrophobicContact CG1-CZ 3.92Å; I114-F120 HydrophobicContact CG2-CB 4.25Å; I114-F120 HydrophobicContact CG2-CD1 4Å; I114-F120 HydrophobicContact CG2-CG 4.08Å; I114-M234 HydrophobicContact CD1-CG 3.92Å; I114-M234 HydrophobicContact CD1-SD 4.42Å; I114-A317 HydrophobicContact CG2-CB 4.48Å; I114-M320 HydrophobicContact CB-SD 4.39Å; I114-M320 HydrophobicContact CG2-SD 3.97Å |
| 115 | S | 84.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -21 | 179.8 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | F111 H112 R113 M320 | F111-S115 PolarHBondContact O-N 3.4Å; F111-S115 PolarHBondContact O-OG 2.95Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 PolarHBondContact O-OG 2.9Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 2.86Å; S115-M320 WeakPolarHBondContact CB-O 3.38Å |
| 116 | Q | 83.8 | Confident | 88.5 | Confident | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -80.3 | -19.4 | 175.1 | -71.9 | 179.4 | -15.4 | 0 | 0 | 113.3 | H112 R113 I114 | H112-Q116 PolarHBondContact CD2-NE2 3.36Å; H112-Q116 PolarHBondContact NE2-NE2 3.42Å; H112-Q116 WeakPolarHBondContact O-CG 3.01Å; H112-Q116 PolarHBondContact O-N 2.86Å; R113-Q116 PolarHBondContact O-N 2.77Å; I114-Q116 PolarHBondContact O-N 3.25Å |
| 117 | H | 78.8 | Confident | 88.5 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | -95.3 | 130.7 | -177.4 | -69.9 | 69.8 | 0 | 0 | 0 | 110.1 | R113 I114 H119 A317 | R113-H117 PolarHBondContact O-ND1 3.43Å; I114-H117 PolarHBondContact O-N 3.39Å; I114-H117 VanDerWaalsContact O-N 3.13Å; H117-H119 PolarHBondContact O-N 3.26Å; H117-A317 WeakPolarHBondContact O-CB 3.28Å | ||
| 118 | R | 71.6 | Confident | 88.7 | Confident | 203 Ų | 203 | 47 Ų | 47 | 77% | 0.766 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -68.3 | -25.7 | 176.4 | -169.6 | 175.5 | 178 | -171.6 | 0.1 | 112.7 | ||
| 119 | H | 83 | Confident | 89.1 | Confident | 113 Ų | 113 | 45.8 Ų | 45.8 | 52% | 0.523 | 21% | 0.208 | S | C | . | . | trans | -132.9 | 117.6 | 180 | -55 | 96.2 | 0 | 0 | 0 | 109 | H117 | H117-H119 PolarHBondContact O-N 3.26Š| ||
| 120 | F | 89.8 | Confident | 89.3 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | trans | -121.7 | 125.6 | 169.6 | -176.1 | -116.6 | 0 | 0 | 0 | 107.4 | I114 Q124 A125 M234 L314 A317 | I114-F120 HydrophobicContact CD1-CD1 4.17Å; I114-F120 HydrophobicContact CD1-CE1 3.64Å; I114-F120 HydrophobicContact CD1-CE2 4.12Å; I114-F120 HydrophobicContact CD1-CZ 3.6Å; I114-F120 HydrophobicContact CG1-CD1 4.23Å; I114-F120 HydrophobicContact CG1-CD2 4.05Å; I114-F120 HydrophobicContact CG1-CE1 4.09Å; I114-F120 HydrophobicContact CG1-CE2 3.91Å; I114-F120 HydrophobicContact CG1-CG 4.21Å; I114-F120 HydrophobicContact CG1-CZ 3.92Å; I114-F120 HydrophobicContact CG2-CB 4.25Å; I114-F120 HydrophobicContact CG2-CD1 4Å; I114-F120 HydrophobicContact CG2-CG 4.08Å; F120-Q124 HydrophobicContact CD2-CB 3.91Å; F120-Q124 HydrophobicContact CE2-CB 3.62Å; F120-Q124 HydrophobicContact CZ-CB 4.35Å; F120-A125 HydrophobicContact CE1-CB 3.74Å; F120-A125 HydrophobicContact CZ-CB 3.84Å; F120-M234 HydrophobicContact CE1-CB 4.26Å; F120-L314 HydrophobicContact CD1-CB 4.42Å; F120-L314 HydrophobicContact CD1-CD1 3.6Å; F120-L314 HydrophobicContact CE1-CD1 3.75Å; F120-L314 WeakPolarHBondContact O-CB 3.49Å; F120-L314 PolarHBondContact O-N 2.82Å; F120-A317 HydrophobicContact CB-CB 3.94Å | ||
| 121 | T | 92.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -104.8 | 158.9 | -171.9 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | K123 Q124 A125 N312 | T121-K123 PolarHBondContact O-N 3.38Å; T121-Q124 WeakPolarHBondContact O-CB 3.27Å; T121-Q124 PolarHBondContact O-N 3.49Å; T121-Q124 VanDerWaalsContact O-N 3.1Å; T121-Q124 VanDerWaalsContact OG1-CG 3.28Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.23Å; T121-Q124 PolarHBondContact OG1-N 2.7Å; T121-Q124 PolarHBondContact OG1-OE1 2.61Å; T121-A125 PolarHBondContact O-N 3.19Å; T121-N312 CarbonylContact C-O 3.48Å; T121-N312 VanDerWaalsContact CA-O 3.24Å; T121-N312 WeakPolarHBondContact CA-O 3.37Å |
| 122 | E | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 175.8 | -168.6 | -178.2 | 144.4 | 0 | 0 | 112.1 | A125 S126 L235 S274 A277 W303 L310 N312 L314 | E122-A125 WeakPolarHBondContact O-CB 3.36Å; E122-A125 PolarHBondContact O-N 3.38Å; E122-S126 PolarHBondContact O-N 3.05Å; E122-L235 HydrophobicContact CG-CD2 4.11Å; E122-S274 VanDerWaalsContact OE1-CB 3.23Å; E122-S274 WeakPolarHBondContact OE1-CB 3.34Å; E122-S274 PolarHBondContact OE1-OG 3.13Å; E122-S274 PolarHBondContact OE2-N 3.43Å; E122-A277 WeakPolarHBondContact OE1-CB 3.37Å; E122-W303 HydrophobicContact CG-CZ2 4.3Å; E122-W303 PolarHBondContact OE1-NE1 2.96Å; E122-L310 CarbonylContact C-O 3.5Å; E122-L310 HydrophobicContact CB-CB 4.08Å; E122-L310 WeakPolarHBondContact CB-O 3.37Å; E122-L310 HydrophobicContact CG-CB 4.25Å; E122-L310 HydrophobicContact CG-CD1 4.48Å; E122-L310 PolarHBondContact N-O 3.38Å; E122-N312 PolarHBondContact N-O 3.35Å; E122-L314 HydrophobicContact CB-CD2 4Å; E122-L314 HydrophobicContact CB-CG 4.35Å; E122-L314 HydrophobicContact CG-CD2 4.45Å |
| 123 | K | 91.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 45.4 Ų | 45.4 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 172.8 | -175.1 | 174.7 | -177.5 | 176.4 | 0 | 112.5 | T121 S126 Q127 L310 D311 | T121-K123 PolarHBondContact O-N 3.38Å; K123-S126 PolarHBondContact O-N 2.93Å; K123-Q127 VanDerWaalsContact O-CG 3.31Å; K123-Q127 WeakPolarHBondContact O-CG 3.29Å; K123-Q127 PolarHBondContact O-N 3Å; K123-L310 HydrophobicContact CB-CB 4.23Å; K123-L310 WeakPolarHBondContact CB-O 3.47Å; K123-L310 PolarHBondContact N-O 3.34Å; K123-D311 VanDerWaalsContact CD-OD1 3.25Å; K123-D311 WeakPolarHBondContact CD-OD1 3.33Å |
| 124 | Q | 91.9 | Very high | 91 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 174.8 | -72.7 | 167.3 | -50.3 | 0 | 0 | 111.2 | F120 T121 S126 Q127 V128 | F120-Q124 HydrophobicContact CD2-CB 3.91Å; F120-Q124 HydrophobicContact CE2-CB 3.62Å; F120-Q124 HydrophobicContact CZ-CB 4.35Å; T121-Q124 WeakPolarHBondContact O-CB 3.27Å; T121-Q124 PolarHBondContact O-N 3.49Å; T121-Q124 VanDerWaalsContact O-N 3.1Å; T121-Q124 VanDerWaalsContact OG1-CG 3.28Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.23Å; T121-Q124 PolarHBondContact OG1-N 2.7Å; T121-Q124 PolarHBondContact OG1-OE1 2.61Å; Q124-S126 VanDerWaalsContact C-N 3.35Å; Q124-S126 PolarHBondContact O-N 3.5Å; Q124-Q127 PolarHBondContact O-N 3.18Å; Q124-V128 WeakPolarHBondContact O-CG2 2.8Å; Q124-V128 PolarHBondContact O-N 3.01Å |
| 125 | A | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F120 T121 E122 T129 M234 L235 W303 L314 | F120-A125 HydrophobicContact CE1-CB 3.74Å; F120-A125 HydrophobicContact CZ-CB 3.84Å; T121-A125 PolarHBondContact O-N 3.19Å; E122-A125 WeakPolarHBondContact O-CB 3.36Å; E122-A125 PolarHBondContact O-N 3.38Å; A125-T129 WeakPolarHBondContact O-CB 3.49Å; A125-T129 PolarHBondContact O-N 2.82Å; A125-T129 PolarHBondContact O-OG1 3.47Å; A125-M234 HydrophobicContact CB-CB 4.49Å; A125-L235 HydrophobicContact CB-CD2 4.32Å; A125-W303 HydrophobicContact CB-CH2 4.37Å; A125-W303 HydrophobicContact CB-CZ2 4.29Å; A125-L314 HydrophobicContact CB-CD1 3.82Å |
| 126 | S | 95.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 174.4 | 170 | 0 | 0 | 0 | 0 | 111.9 | E122 K123 Q124 V128 T129 K130 W303 | E122-S126 PolarHBondContact O-N 3.05Å; K123-S126 PolarHBondContact O-N 2.93Å; Q124-S126 VanDerWaalsContact C-N 3.35Å; Q124-S126 PolarHBondContact O-N 3.5Å; S126-V128 PolarHBondContact O-N 2.64Å; S126-T129 WeakPolarHBondContact O-CB 3.48Å; S126-T129 PolarHBondContact O-N 2.79Å; S126-K130 WeakPolarHBondContact O-CB 3.24Å; S126-K130 PolarHBondContact O-N 3.08Å; S126-W303 PolarHBondContact OG-O 2.68Å |
| 127 | Q | 93.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.5 | -73.2 | 172.7 | -17.9 | 0 | 0 | 112.7 | K123 Q124 T129 K130 Q131 | K123-Q127 VanDerWaalsContact O-CG 3.31Å; K123-Q127 WeakPolarHBondContact O-CG 3.29Å; K123-Q127 PolarHBondContact O-N 3Å; Q124-Q127 PolarHBondContact O-N 3.18Å; Q127-T129 VanDerWaalsContact C-N 3.33Å; Q127-K130 PolarHBondContact O-N 2.44Å; Q127-Q131 PolarHBondContact O-N 3.46Å; Q127-Q131 VanDerWaalsContact O-N 3.16Å |
| 128 | V | 95.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L110 Q124 S126 K130 Q131 I132 F156 V165 M234 | L110-V128 HydrophobicContact CD1-CG1 3.7Å; L110-V128 HydrophobicContact CD2-CG1 4.43Å; Q124-V128 WeakPolarHBondContact O-CG2 2.8Å; Q124-V128 PolarHBondContact O-N 3.01Å; S126-V128 PolarHBondContact O-N 2.64Å; V128-K130 VanDerWaalsContact C-N 3.33Å; V128-K130 PolarHBondContact O-N 3.25Å; V128-Q131 PolarHBondContact O-N 3.18Å; V128-I132 HydrophobicContact CG1-CD1 3.82Å; V128-I132 WeakPolarHBondContact O-CG1 3.4Å; V128-I132 PolarHBondContact O-N 3.23Å; V128-F156 HydrophobicContact CG2-CE1 4.48Å; V128-F156 HydrophobicContact CG2-CZ 4.11Å; V128-V165 HydrophobicContact CG1-CG1 4.22Å; V128-M234 HydrophobicContact CB-SD 4.32Å; V128-M234 HydrophobicContact CG1-CE 4.45Å; V128-M234 HydrophobicContact CG1-SD 3.76Å |
| 129 | T | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.8 | -61 | 0 | 0 | 0 | 0 | 111.5 | A125 S126 Q127 Q131 I132 A133 L227 I231 M234 W303 L304 | A125-T129 WeakPolarHBondContact O-CB 3.49Å; A125-T129 PolarHBondContact O-N 2.82Å; A125-T129 PolarHBondContact O-OG1 3.47Å; S126-T129 WeakPolarHBondContact O-CB 3.48Å; S126-T129 PolarHBondContact O-N 2.79Å; Q127-T129 VanDerWaalsContact C-N 3.33Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.84Å; T129-I132 PolarHBondContact O-N 3.03Å; T129-A133 VanDerWaalsContact O-CB 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.18Å; T129-L227 HydrophobicContact CG2-CD1 4.31Å; T129-I231 HydrophobicContact CG2-CD1 3.61Å; T129-I231 HydrophobicContact CG2-CG1 3.84Å; T129-M234 WeakPolarHBondContact OG1-CE 3.44Å; T129-W303 HydrophobicContact CG2-CZ3 3.93Å; T129-L304 HydrophobicContact CG2-CD1 4.44Å; T129-L304 HydrophobicContact CG2-CD2 4.32Å |
| 130 | K | 96.8 | Very high | 94.8 | Very high | 77 Ų | 77 | 29.2 Ų | 29.2 | 34% | 0.335 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.4 | -44 | 177.6 | -171.6 | 167.3 | -172.4 | 155.7 | 0 | 111.7 | S126 Q127 V128 A133 L134 L299 L304 N305 | S126-K130 WeakPolarHBondContact O-CB 3.24Å; S126-K130 PolarHBondContact O-N 3.08Å; Q127-K130 PolarHBondContact O-N 2.44Å; V128-K130 VanDerWaalsContact C-N 3.33Å; V128-K130 PolarHBondContact O-N 3.25Å; K130-A133 PolarHBondContact O-N 3.36Å; K130-L134 HydrophobicContact CG-CD1 4.38Å; K130-L134 WeakPolarHBondContact O-CB 3.08Å; K130-L134 VanDerWaalsContact O-CG 3.24Å; K130-L134 WeakPolarHBondContact O-CG 3.31Å; K130-L134 PolarHBondContact O-N 3.23Å; K130-L299 HydrophobicContact CG-CD2 4.48Å; K130-L304 HydrophobicContact CB-CD2 4.05Å; K130-L304 HydrophobicContact CG-CD2 4.38Å; K130-L304 PolarHBondContact NZ-O 3Å; K130-N305 PolarHBondContact NZ-OD1 2.72Å |
| 131 | Q | 97.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.3 | -72.6 | -174.6 | 56.3 | 0 | 0 | 112.7 | N74 Q127 V128 T129 L134 A135 P164 V165 | N74-Q131 WeakPolarHBondContact CB-O 3.29Å; N74-Q131 WeakPolarHBondContact ND2-CB 3.26Å; N74-Q131 PolarHBondContact ND2-OE1 3.33Å; Q127-Q131 PolarHBondContact O-N 3.46Å; Q127-Q131 VanDerWaalsContact O-N 3.16Å; V128-Q131 PolarHBondContact O-N 3.18Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.84Å; Q131-L134 PolarHBondContact O-N 3.29Å; Q131-A135 PolarHBondContact O-N 2.9Å; Q131-A135 VanDerWaalsContact O-N 3.14Å; Q131-P164 VanDerWaalsContact OE1-CA 3.25Å; Q131-V165 HydrophobicContact CB-CG1 3.41Å; Q131-V165 VanDerWaalsContact CB-CG1 3.41Å; Q131-V165 HydrophobicContact CG-CG1 4.29Å |
| 132 | I | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.4 | -60.1 | 162.5 | 0 | 0 | 0 | 110.4 | L110 V128 T129 L134 A135 L136 L149 L154 V165 L227 | L110-I132 HydrophobicContact CD2-CD1 4.38Å; V128-I132 HydrophobicContact CG1-CD1 3.82Å; V128-I132 WeakPolarHBondContact O-CG1 3.4Å; V128-I132 PolarHBondContact O-N 3.23Å; T129-I132 PolarHBondContact O-N 3.03Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.25Å; I132-A135 WeakPolarHBondContact O-CB 3.23Å; I132-A135 PolarHBondContact O-N 3.48Å; I132-L136 HydrophobicContact CG2-CD1 4.21Å; I132-L136 HydrophobicContact CG2-CG 4.48Å; I132-L136 WeakPolarHBondContact O-CG 3.03Å; I132-L136 PolarHBondContact O-N 3.24Å; I132-L149 HydrophobicContact CG2-CD1 4.15Å; I132-L149 HydrophobicContact CG2-CD2 4.46Å; I132-L154 HydrophobicContact CD1-CD1 3.64Å; I132-L154 HydrophobicContact CD1-CD2 4.36Å; I132-L154 HydrophobicContact CG1-CD1 4.17Å; I132-L154 HydrophobicContact CG1-CD2 3.96Å; I132-L154 HydrophobicContact CG2-CD2 4.23Å; I132-V165 HydrophobicContact CG1-CG1 4.12Å; I132-L227 HydrophobicContact CB-CD1 4.23Å; I132-L227 HydrophobicContact CG2-CD1 3.74Å |
| 133 | A | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -38 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | T129 K130 L136 R137 L227 I295 V298 L299 | T129-A133 VanDerWaalsContact O-CB 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.18Å; K130-A133 PolarHBondContact O-N 3.36Å; A133-L136 PolarHBondContact O-N 3.27Å; A133-R137 WeakPolarHBondContact O-CB 3.33Å; A133-R137 PolarHBondContact O-N 2.88Å; A133-L227 HydrophobicContact CB-CD2 4.5Å; A133-I295 HydrophobicContact CB-CD1 4.02Å; A133-I295 WeakPolarHBondContact O-CD1 3.4Å; A133-V298 HydrophobicContact CB-CG1 4.06Å; A133-L299 HydrophobicContact CB-CD2 3.69Å; A133-L299 HydrophobicContact CB-CG 4.1Å |
| 134 | L | 98 | Very high | 93.8 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 173.9 | -72.2 | 169.9 | 0 | 0 | 0 | 111.9 | K130 Q131 I132 R137 H138 L299 | K130-L134 HydrophobicContact CG-CD1 4.38Å; K130-L134 WeakPolarHBondContact O-CB 3.08Å; K130-L134 VanDerWaalsContact O-CG 3.24Å; K130-L134 WeakPolarHBondContact O-CG 3.31Å; K130-L134 PolarHBondContact O-N 3.23Å; Q131-L134 PolarHBondContact O-N 3.29Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.25Å; L134-R137 PolarHBondContact O-N 2.62Å; L134-H138 PolarHBondContact O-N 3.01Å; L134-L299 HydrophobicContact CD2-CD1 4.33Å; L134-L299 HydrophobicContact CD2-CD2 3.97Å; L134-L299 HydrophobicContact CG-CD2 4.06Å |
| 135 | A | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | N74 I75 Q131 I132 H138 C139 L167 | N74-A135 HydrophobicContact CB-CB 3.86Å; N74-A135 WeakPolarHBondContact O-CB 3.36Å; I75-A135 HydrophobicContact CD1-CB 4.35Å; I75-A135 HydrophobicContact CG1-CB 3.86Å; Q131-A135 PolarHBondContact O-N 2.9Å; Q131-A135 VanDerWaalsContact O-N 3.14Å; I132-A135 WeakPolarHBondContact O-CB 3.23Å; I132-A135 PolarHBondContact O-N 3.48Å; A135-H138 PolarHBondContact O-N 2.7Å; A135-C139 PolarHBondContact O-N 3.02Å; A135-C139 VanDerWaalsContact O-N 3.12Å; A135-C139 PolarHBondContact O-SG 2.82Å; A135-L167 HydrophobicContact CB-CB 4.31Å |
| 136 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 178 | -70.5 | 175.4 | 0 | 0 | 0 | 112.1 | I132 A133 H138 C139 H140 H146 L149 L167 D223 L227 I295 | I132-L136 HydrophobicContact CG2-CD1 4.21Å; I132-L136 HydrophobicContact CG2-CG 4.48Å; I132-L136 WeakPolarHBondContact O-CG 3.03Å; I132-L136 PolarHBondContact O-N 3.24Å; A133-L136 PolarHBondContact O-N 3.27Å; L136-H138 VanDerWaalsContact C-N 3.31Å; L136-H138 PolarHBondContact O-N 3.44Å; L136-C139 WeakPolarHBondContact O-CB 3.44Å; L136-C139 PolarHBondContact O-N 3.46Å; L136-H140 WeakPolarHBondContact O-CB 3.29Å; L136-H140 PolarHBondContact O-CD2 3.41Å; L136-H140 VanDerWaalsContact O-CD2 3.26Å; L136-H140 VanDerWaalsContact O-CG 3.22Å; L136-H140 PolarHBondContact O-N 3.13Å; L136-H146 HydrophobicContact CD2-CB 4.47Å; L136-L149 HydrophobicContact CD1-CD2 3.74Å; L136-L149 HydrophobicContact CD2-CD1 4.4Å; L136-L149 HydrophobicContact CD2-CD2 4.4Å; L136-L167 HydrophobicContact CD2-CD2 4.27Å; L136-D223 HydrophobicContact CD1-CB 4.47Å; L136-D223 HydrophobicContact CD2-CB 4.03Å; L136-L227 HydrophobicContact CD1-CB 4.47Å; L136-L227 HydrophobicContact CD1-CD2 4.26Å; L136-I295 HydrophobicContact CB-CD1 3.89Å; L136-I295 HydrophobicContact CB-CG1 4.42Å; L136-I295 HydrophobicContact CD1-CD1 4.47Å |
| 137 | R | 95.6 | Very high | 93 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 175.6 | -178.5 | 178.6 | 65 | -179.1 | 7.2 | 110.4 | A133 L134 C139 H140 L141 I295 E296 L299 | A133-R137 WeakPolarHBondContact O-CB 3.33Å; A133-R137 PolarHBondContact O-N 2.88Å; L134-R137 PolarHBondContact O-N 2.62Å; R137-C139 PolarHBondContact O-N 2.55Å; R137-H140 PolarHBondContact O-N 2.92Å; R137-H140 VanDerWaalsContact O-N 3.15Å; R137-L141 HydrophobicContact CG-CD1 3.92Å; R137-L141 HydrophobicContact CG-CG 4.16Å; R137-L141 WeakPolarHBondContact O-CB 3.45Å; R137-L141 VanDerWaalsContact O-CG 3.3Å; R137-L141 WeakPolarHBondContact O-CG 3.14Å; R137-L141 PolarHBondContact O-N 2.82Å; R137-I295 HydrophobicContact CB-CG1 3.78Å; R137-I295 HydrophobicContact CB-CG2 4.44Å; R137-I295 HydrophobicContact CG-CG2 4.41Å; R137-E296 WeakPolarHBondContact CD-OE1 3.46Å; R137-E296 WeakPolarHBondContact CD-OE2 3.25Å; R137-E296 VanDerWaalsContact CG-OE1 3.28Å; R137-E296 WeakPolarHBondContact CG-OE1 3.29Å; R137-E296 IonicContact NH1-OE2 2.97Å; R137-L299 HydrophobicContact CB-CD1 3.97Å; R137-L299 VanDerWaalsContact CD-CD1 3.49Å; R137-L299 HydrophobicContact CG-CD1 4.24Å |
| 138 | H | 95.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 178.2 | -180 | 76.9 | 0 | 0 | 0 | 111.8 | C69 H72 L134 A135 L136 H140 L141 L142 | C69-H138 PolarHBondContact O-NE2 3.42Å; H72-H138 HydrophobicContact CB-CB 4.22Å; H72-H138 AromaticContact CD2-CG 3.76Å; H72-H138 AromaticContact CG-CG 3.95Å; L134-H138 PolarHBondContact O-N 3.01Å; A135-H138 PolarHBondContact O-N 2.7Å; L136-H138 VanDerWaalsContact C-N 3.31Å; L136-H138 PolarHBondContact O-N 3.44Å; H138-H140 PolarHBondContact O-N 3.35Å; H138-L141 PolarHBondContact O-N 2.8Å; H138-L142 PolarHBondContact O-N 3.05Å |
| 139 | C | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 173.5 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | C69 A135 L136 R137 L141 L142 N143 I144 | C69-C139 VanDerWaalsContact SG-SG 3.65Å; A135-C139 PolarHBondContact O-N 3.02Å; A135-C139 VanDerWaalsContact O-N 3.12Å; A135-C139 PolarHBondContact O-SG 2.82Å; L136-C139 WeakPolarHBondContact O-CB 3.44Å; L136-C139 PolarHBondContact O-N 3.46Å; R137-C139 PolarHBondContact O-N 2.55Å; C139-L141 VanDerWaalsContact C-N 3.34Å; C139-L141 PolarHBondContact O-N 3.18Å; C139-L142 CarbonylContact O-C 3.58Å; C139-L142 PolarHBondContact O-N 3.43Å; C139-L142 VanDerWaalsContact O-N 3.12Å; C139-N143 PolarHBondContact O-N 3.24Å; C139-I144 CarbonylContact C-O 3.44Å; C139-I144 HydrophobicContact CB-CB 4.41Å; C139-I144 WeakPolarHBondContact CB-O 3.43Å; C139-I144 WeakPolarHBondContact O-CA 3.36Å; C139-I144 WeakPolarHBondContact O-CB 3.31Å; C139-I144 PolarHBondContact O-N 3.35Å; C139-I144 VanDerWaalsContact O-O 3.09Å |
| 140 | H | 90 | Very high | 91.6 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -32.3 | -174.9 | -72.2 | -168.6 | 0 | 0 | 0 | 113 | L136 R137 H138 L142 N143 I144 K220 D223 | L136-H140 WeakPolarHBondContact O-CB 3.29Å; L136-H140 PolarHBondContact O-CD2 3.41Å; L136-H140 VanDerWaalsContact O-CD2 3.26Å; L136-H140 VanDerWaalsContact O-CG 3.22Å; L136-H140 PolarHBondContact O-N 3.13Å; R137-H140 PolarHBondContact O-N 2.92Å; R137-H140 VanDerWaalsContact O-N 3.15Å; H138-H140 PolarHBondContact O-N 3.35Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-N143 WeakPolarHBondContact O-CA 3.35Å; H140-N143 PolarHBondContact O-N 3.02Å; H140-N143 VanDerWaalsContact O-N 3.08Å; H140-I144 PolarHBondContact CD2-O 3.06Å; H140-I144 PolarHBondContact N-O 3.41Å; H140-K220 HydrophobicContact CB-CD 4.18Å; H140-K220 PolarHBondContact O-NZ 2.92Å; H140-D223 IonicContact CD2-OD2 3.52Å; H140-D223 IonicContact CE1-OD2 3.77Å; H140-D223 IonicContact NE2-OD2 2.63Å; H140-D223 PolarHBondContact NE2-OD2 3.12Å |
| 141 | L | 88.9 | Confident | 90.9 | Very high | 119 Ų | 119 | 25 Ų | 25 | 62% | 0.623 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -67.1 | -33.7 | 172.8 | -73.9 | 173 | 0 | 0 | 0 | 112.2 | R137 H138 C139 N143 | R137-L141 HydrophobicContact CG-CD1 3.92Å; R137-L141 HydrophobicContact CG-CG 4.16Å; R137-L141 WeakPolarHBondContact O-CB 3.45Å; R137-L141 VanDerWaalsContact O-CG 3.3Å; R137-L141 WeakPolarHBondContact O-CG 3.14Å; R137-L141 PolarHBondContact O-N 2.82Å; H138-L141 PolarHBondContact O-N 2.8Å; C139-L141 VanDerWaalsContact C-N 3.34Å; C139-L141 PolarHBondContact O-N 3.18Å; L141-N143 PolarHBondContact O-N 3.16Å |
| 142 | L | 86.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 24.9 Ų | 24.9 | 34% | 0.335 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 7.9 | 170.6 | -63 | 175.6 | 0 | 0 | 0 | 112.9 | M68 H138 C139 H140 I144 | M68-L142 WeakPolarHBondContact O-CD1 3.5Å; H138-L142 PolarHBondContact O-N 3.05Å; C139-L142 CarbonylContact O-C 3.58Å; C139-L142 PolarHBondContact O-N 3.43Å; C139-L142 VanDerWaalsContact O-N 3.12Å; H140-L142 VanDerWaalsContact C-N 3.34Å; L142-I144 HydrophobicContact CB-CD1 4.03Å; L142-I144 HydrophobicContact CB-CG1 4.25Å; L142-I144 PolarHBondContact O-N 2.87Å |
| 143 | N | 85.3 | Confident | 89.9 | Confident | 76 Ų | 76 | 25.1 Ų | 25.1 | 41% | 0.406 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34.6 | -171.4 | -68.4 | -47.6 | 0 | 0 | 0 | 113.3 | C139 H140 L141 I175 D176 K220 | C139-N143 PolarHBondContact O-N 3.24Å; H140-N143 WeakPolarHBondContact O-CA 3.35Å; H140-N143 PolarHBondContact O-N 3.02Å; H140-N143 VanDerWaalsContact O-N 3.08Å; L141-N143 PolarHBondContact O-N 3.16Å; N143-I175 HydrophobicContact CB-CG2 4.45Å; N143-I175 CarbonylContact O-C 3.57Å; N143-I175 VanDerWaalsContact O-CA 3.29Å; N143-I175 WeakPolarHBondContact O-CA 3.31Å; N143-D176 PolarHBondContact O-N 3.34Å; N143-K220 PolarHBondContact OD1-NZ 2.9Å |
| 144 | I | 86.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.4 | 175.3 | -63.3 | 169.4 | 0 | 0 | 0 | 108.2 | L65 M68 C69 C139 H140 L142 A173 K174 I175 | L65-I144 HydrophobicContact CB-CD1 4.49Å; L65-I144 HydrophobicContact CD2-CD1 3.89Å; L65-I144 HydrophobicContact CD2-CG1 4.1Å; M68-I144 HydrophobicContact CB-CD1 4.14Å; M68-I144 HydrophobicContact CE-CD1 4.25Å; M68-I144 HydrophobicContact SD-CD1 4.25Å; C69-I144 VanDerWaalsContact SG-CD1 3.58Å; C139-I144 CarbonylContact C-O 3.44Å; C139-I144 HydrophobicContact CB-CB 4.41Å; C139-I144 WeakPolarHBondContact CB-O 3.43Å; C139-I144 WeakPolarHBondContact O-CA 3.36Å; C139-I144 WeakPolarHBondContact O-CB 3.31Å; C139-I144 PolarHBondContact O-N 3.35Å; C139-I144 VanDerWaalsContact O-O 3.09Å; H140-I144 PolarHBondContact CD2-O 3.06Å; H140-I144 PolarHBondContact N-O 3.41Å; L142-I144 HydrophobicContact CB-CD1 4.03Å; L142-I144 HydrophobicContact CB-CG1 4.25Å; L142-I144 PolarHBondContact O-N 2.87Å; I144-A173 HydrophobicContact CG2-CB 4.22Å; I144-K174 WeakPolarHBondContact CA-O 3.32Å; I144-I175 HydrophobicContact CG1-CG1 4.32Å |
| 145 | A | 87.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R147 A173 K174 N219 K220 | A145-R147 HydrophobicContact CB-CG 4.18Å; A145-A173 VanDerWaalsContact O-CA 3.23Å; A145-A173 WeakPolarHBondContact O-CA 3.16Å; A145-K174 PolarHBondContact N-O 2.82Å; A145-K174 PolarHBondContact O-N 2.91Å; A145-N219 HydrophobicContact CB-CB 3.53Å; A145-K220 HydrophobicContact CB-CG 4.22Å |
| 146 | H | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -75.3 | -41.9 | -176.5 | -174.9 | -93.9 | 0 | 0 | 0 | 111.9 | L136 D148 L149 L167 C168 D169 F172 A173 D223 | L136-H146 HydrophobicContact CD2-CB 4.47Å; H146-D148 VanDerWaalsContact CE1-C 3.44Å; H146-D148 PolarHBondContact CE1-O 2.98Å; H146-D148 PolarHBondContact ND1-N 3.41Å; H146-D148 PolarHBondContact ND1-O 3.06Å; H146-D148 PolarHBondContact O-N 2.86Å; H146-L149 PolarHBondContact ND1-N 3.24Å; H146-L167 HydrophobicContact CB-CD2 4.46Å; H146-C168 PolarHBondContact NE2-O 3.14Å; H146-C168 VanDerWaalsContact NE2-O 3.17Å; H146-D169 PolarHBondContact CE1-O 2.9Å; H146-D169 PolarHBondContact NE2-O 3.2Å; H146-D169 VanDerWaalsContact NE2-O 3.09Å; H146-F172 CarbonylContact O-C 3.51Å; H146-A173 WeakPolarHBondContact O-CA 3.36Å; H146-A173 PolarHBondContact O-N 2.97Å; H146-D223 PolarHBondContact N-OD2 3.39Å | ||
| 147 | R | 85.9 | Confident | 89.3 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | trans | 62.8 | -8.8 | 177.8 | -66.4 | 170.7 | 25 | 162.3 | -12.5 | 116.5 | A145 F172 N219 D223 R341 D344 | A145-R147 HydrophobicContact CB-CG 4.18Å; R147-F172 HydrophobicContact CB-CB 4.37Å; R147-F172 PolarHBondContact NE-O 3.27Å; R147-F172 VanDerWaalsContact NE-O 3.1Å; R147-N219 HydrophobicContact CG-CB 4.34Å; R147-D223 WeakPolarHBondContact CA-OD1 3.36Å; R147-D223 PolarHBondContact N-OD1 3.34Å; R147-R341 VanDerWaalsContact O-CZ 3.24Å; R147-R341 PolarHBondContact O-NE 3.05Å; R147-R341 PolarHBondContact O-NH2 3.39Å; R147-D344 IonicContact CZ-OD2 3.94Å; R147-D344 IonicContact NH1-OD1 3.91Å; R147-D344 IonicContact NH1-OD2 3.88Å; R147-D344 PolarHBondContact NH1-OD2 3.11Å; R147-D344 VanDerWaalsContact NH1-OD2 3.07Å; R147-D344 IonicContact NH2-OD2 2.63Å; R147-D344 PolarHBondContact NH2-OD2 2.95Å | ||
| 148 | D | 84.9 | Confident | 89.2 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | trans | -125.7 | 41.8 | 175.1 | -163.4 | 19.2 | 0 | 0 | 0 | 112.5 | H146 K150 N153 F172 R341 | H146-D148 VanDerWaalsContact CE1-C 3.44Å; H146-D148 PolarHBondContact CE1-O 2.98Å; H146-D148 PolarHBondContact ND1-N 3.41Å; H146-D148 PolarHBondContact ND1-O 3.06Å; H146-D148 PolarHBondContact O-N 2.86Å; D148-K150 PolarHBondContact O-N 3.25Å; D148-K150 VanDerWaalsContact O-N 3.12Å; D148-K150 WeakPolarHBondContact OD1-CD 3.32Å; D148-K150 IonicContact OD1-NZ 3.66Å; D148-K150 PolarHBondContact OD1-NZ 2.96Å; D148-K150 VanDerWaalsContact OD1-NZ 3.13Å; D148-K150 IonicContact OD2-NZ 3.46Å; D148-K150 PolarHBondContact OD2-NZ 2.93Å; D148-N153 PolarHBondContact O-ND2 2.86Å; D148-N153 PolarHBondContact OD2-ND2 3.02Å; D148-F172 HydrophobicContact CB-CB 4.04Å; D148-F172 HydrophobicContact CB-CD2 3.76Å; D148-F172 HydrophobicContact CB-CG 4.21Å; D148-F172 VanDerWaalsContact OD2-CD2 3.26Å; D148-F172 WeakPolarHBondContact OD2-CD2 3.44Å; D148-F172 WeakPolarHBondContact OD2-CE2 3.4Å; D148-R341 VanDerWaalsContact CB-NH2 3.29Å; D148-R341 IonicContact OD1-CZ 3.87Å; D148-R341 IonicContact OD1-NH1 3.56Å; D148-R341 IonicContact OD1-NH2 2.88Å; D148-R341 PolarHBondContact OD1-NH2 3.45Å; D148-R341 IonicContact OD2-NH1 3.59Å; D148-R341 IonicContact OD2-NH2 3.86Å | ||
| 149 | L | 87.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -72.9 | 104.9 | 176.3 | -174.8 | 72.3 | 0 | 0 | 0 | 110 | I132 L136 H146 L154 L167 D223 S226 L227 I230 H333 L337 | I132-L149 HydrophobicContact CG2-CD1 4.15Å; I132-L149 HydrophobicContact CG2-CD2 4.46Å; L136-L149 HydrophobicContact CD1-CD2 3.74Å; L136-L149 HydrophobicContact CD2-CD1 4.4Å; L136-L149 HydrophobicContact CD2-CD2 4.4Å; H146-L149 PolarHBondContact ND1-N 3.24Å; L149-L154 HydrophobicContact CD1-CD1 4.42Å; L149-L154 HydrophobicContact CD1-CD2 4.06Å; L149-L154 HydrophobicContact CD1-CG 4.4Å; L149-L167 HydrophobicContact CD1-CD1 3.69Å; L149-D223 WeakPolarHBondContact CD2-O 3.45Å; L149-S226 VanDerWaalsContact O-CB 3.25Å; L149-S226 WeakPolarHBondContact O-CB 3.47Å; L149-S226 PolarHBondContact O-OG 3.11Å; L149-L227 HydrophobicContact CD2-CB 4.04Å; L149-I230 HydrophobicContact CD2-CD1 4.07Å; L149-I230 HydrophobicContact CG-CD1 3.77Å; L149-H333 PolarHBondContact O-CE1 2.82Å; L149-L337 WeakPolarHBondContact O-CD1 3.49Å | ||
| 150 | K | 84.8 | Confident | 88.7 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | trans | -144.5 | 162 | -179.3 | 64.3 | -178.3 | 179.8 | -144.3 | 0 | 110.5 | D148 E152 N153 L337 | D148-K150 PolarHBondContact O-N 3.25Å; D148-K150 VanDerWaalsContact O-N 3.12Å; D148-K150 WeakPolarHBondContact OD1-CD 3.32Å; D148-K150 IonicContact OD1-NZ 3.66Å; D148-K150 PolarHBondContact OD1-NZ 2.96Å; D148-K150 VanDerWaalsContact OD1-NZ 3.13Å; D148-K150 IonicContact OD2-NZ 3.46Å; D148-K150 PolarHBondContact OD2-NZ 2.93Å; K150-E152 VanDerWaalsContact CB-OE2 3.24Å; K150-E152 WeakPolarHBondContact CB-OE2 3.5Å; K150-E152 HydrophobicContact CD-CB 4.42Å; K150-E152 VanDerWaalsContact CD-OE2 3.24Å; K150-E152 WeakPolarHBondContact CD-OE2 3.5Å; K150-E152 HydrophobicContact CG-CB 4.34Å; K150-E152 WeakPolarHBondContact CG-OE2 3.5Å; K150-E152 PolarHBondContact O-N 2.92Å; K150-N153 WeakPolarHBondContact CE-ND2 3.44Å; K150-N153 HydrophobicContact CG-CB 4.11Å; K150-N153 PolarHBondContact O-N 3.28Å; K150-L337 HydrophobicContact CB-CD1 3.73Å | ||
| 151 | P | 81.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.5 | -35.3 | -176.2 | -25.8 | 34.2 | 0 | 0 | 0 | 114.1 | F111 N153 L154 H333 | F111-P151 HydrophobicContact CD2-CB 3.53Å; F111-P151 HydrophobicContact CD2-CG 3.49Å; F111-P151 VanDerWaalsContact CD2-CG 3.49Å; F111-P151 HydrophobicContact CE2-CB 3.61Å; F111-P151 HydrophobicContact CE2-CG 3.04Å; F111-P151 HydrophobicContact CG-CB 4.11Å; F111-P151 HydrophobicContact CG-CG 4.43Å; F111-P151 HydrophobicContact CZ-CB 4.22Å; F111-P151 HydrophobicContact CZ-CG 3.67Å; P151-N153 PolarHBondContact O-N 3.38Å; P151-L154 PolarHBondContact O-N 3.03Å; P151-L154 VanDerWaalsContact O-N 3.14Å; P151-H333 WeakPolarHBondContact CD-ND1 3.38Å |
| 152 | E | 84.2 | Confident | 88.1 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -67.4 | -22.3 | 179.7 | -52.4 | 93.2 | 138.7 | 0 | 0 | 112.4 | K150 Q330 | K150-E152 VanDerWaalsContact CB-OE2 3.24Å; K150-E152 WeakPolarHBondContact CB-OE2 3.5Å; K150-E152 HydrophobicContact CD-CB 4.42Å; K150-E152 VanDerWaalsContact CD-OE2 3.24Å; K150-E152 WeakPolarHBondContact CD-OE2 3.5Å; K150-E152 HydrophobicContact CG-CB 4.34Å; K150-E152 WeakPolarHBondContact CG-OE2 3.5Å; K150-E152 PolarHBondContact O-N 2.92Å; E152-Q330 HydrophobicContact CG-CG 4.37Å; E152-Q330 WeakPolarHBondContact OE1-CB 3.4Å |
| 153 | N | 90.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -96.5 | 6.6 | 177.9 | -71.5 | -6.8 | 0 | 0 | 0 | 112.5 | D148 K150 P151 L167 C168 | D148-N153 PolarHBondContact O-ND2 2.86Å; D148-N153 PolarHBondContact OD2-ND2 3.02Å; K150-N153 WeakPolarHBondContact CE-ND2 3.44Å; K150-N153 HydrophobicContact CG-CB 4.11Å; K150-N153 PolarHBondContact O-N 3.28Å; P151-N153 PolarHBondContact O-N 3.38Å; N153-L167 HydrophobicContact CB-CD1 4.45Å; N153-L167 WeakPolarHBondContact O-CA 3.26Å; N153-C168 PolarHBondContact O-N 2.96Å |
| 154 | L | 94 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 103.8 | 177.7 | -66.8 | 175.2 | 0 | 0 | 0 | 109.2 | L110 I132 L149 P151 V165 L167 I230 | L110-L154 HydrophobicContact CB-CB 4.04Å; L110-L154 HydrophobicContact CD2-CB 4.39Å; L110-L154 HydrophobicContact CD2-CD1 3.8Å; L110-L154 PolarHBondContact N-O 3.16Å; I132-L154 HydrophobicContact CD1-CD1 3.64Å; I132-L154 HydrophobicContact CD1-CD2 4.36Å; I132-L154 HydrophobicContact CG1-CD1 4.17Å; I132-L154 HydrophobicContact CG1-CD2 3.96Å; I132-L154 HydrophobicContact CG2-CD2 4.23Å; L149-L154 HydrophobicContact CD1-CD1 4.42Å; L149-L154 HydrophobicContact CD1-CD2 4.06Å; L149-L154 HydrophobicContact CD1-CG 4.4Å; P151-L154 PolarHBondContact O-N 3.03Å; P151-L154 VanDerWaalsContact O-N 3.14Å; L154-V165 HydrophobicContact CB-CG2 4.16Å; L154-V165 HydrophobicContact CD2-CG2 4.5Å; L154-L167 HydrophobicContact CD2-CB 4.41Å; L154-L167 HydrophobicContact CD2-CD1 4.02Å; L154-I230 HydrophobicContact CD1-CD1 3.83Å; L154-I230 HydrophobicContact CD1-CG2 4.32Å |
| 155 | L | 93.9 | Very high | 89.3 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.5 | -172.3 | -55.7 | 179.3 | 0 | 0 | 0 | 111 | M105 G108 E109 V165 K166 | M105-L155 HydrophobicContact CB-CB 3.93Å; M105-L155 HydrophobicContact CB-CD1 3.91Å; M105-L155 HydrophobicContact CE-CB 3.9Å; M105-L155 VanDerWaalsContact CE-O 3.23Å; M105-L155 WeakPolarHBondContact CE-O 3.38Å; M105-L155 HydrophobicContact CG-CB 4.2Å; M105-L155 HydrophobicContact CG-CD1 4.08Å; G108-L155 WeakPolarHBondContact O-CA 3.45Å; E109-L155 HydrophobicContact CB-CD2 4.35Å; E109-L155 HydrophobicContact CG-CD2 3.71Å; L155-V165 WeakPolarHBondContact O-CA 3.42Å; L155-K166 PolarHBondContact N-O 3.12Å; L155-K166 PolarHBondContact O-N 3.24Å |
| 156 | F | 95.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 139.8 | 168.5 | -76 | -79.6 | 0 | 0 | 0 | 110.7 | G107 G108 L110 R113 V128 D158 A163 V165 | G107-F156 WeakPolarHBondContact CA-O 3.5Å; G107-F156 PolarHBondContact N-O 3.3Å; G108-F156 PolarHBondContact O-N 3.24Å; L110-F156 HydrophobicContact CD1-CE2 3.77Å; L110-F156 HydrophobicContact CD1-CZ 4Å; R113-F156 HydrophobicContact CB-CD2 3.59Å; R113-F156 HydrophobicContact CB-CE2 3.58Å; R113-F156 HydrophobicContact CG-CD2 3.61Å; R113-F156 HydrophobicContact CG-CE2 3.63Å; R113-F156 HydrophobicContact CG-CG 4.3Å; R113-F156 HydrophobicContact CG-CZ 4.36Å; V128-F156 HydrophobicContact CG2-CE1 4.48Å; V128-F156 HydrophobicContact CG2-CZ 4.11Å; F156-D158 VanDerWaalsContact C-N 3.33Å; F156-D158 PolarHBondContact O-N 3.21Å; F156-A163 HydrophobicContact CB-CB 4.41Å; F156-A163 HydrophobicContact CD1-CB 4.08Å; F156-A163 VanDerWaalsContact CD1-O 3.32Å; F156-A163 WeakPolarHBondContact CD1-O 3.17Å; F156-V165 HydrophobicContact CD1-CB 4.31Å; F156-V165 HydrophobicContact CE1-CB 4.06Å; F156-V165 HydrophobicContact CZ-CB 4.45Å |
| 157 | K | 94.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -58.1 | -45.9 | -178.9 | 178.8 | 59.5 | -178.5 | 177.4 | 0 | 112.2 | E103 M104 M105 E106 P164 | E103-K157 WeakPolarHBondContact OE2-CE 3.47Å; E103-K157 IonicContact OE2-NZ 2.77Å; E103-K157 PolarHBondContact OE2-NZ 3.09Å; M104-K157 WeakPolarHBondContact O-CD 3.12Å; M104-K157 PolarHBondContact O-NZ 3.17Å; M105-K157 VanDerWaalsContact CE-CA 3.49Å; M105-K157 HydrophobicContact CE-CB 4.22Å; M105-K157 HydrophobicContact SD-CD 3.88Å; E106-K157 PolarHBondContact N-O 2.91Å; K157-P164 HydrophobicContact CB-CG 3.85Å; K157-P164 PolarHBondContact N-O 3.36Å |
| 158 | D | 93.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -155.1 | -171.7 | -177.9 | 58.1 | 57.2 | 0 | 0 | 0 | 110.7 | G107 F156 S160 A163 | G107-D158 VanDerWaalsContact CA-C 3.43Å; G107-D158 WeakPolarHBondContact CA-O 3.3Å; F156-D158 VanDerWaalsContact C-N 3.33Å; F156-D158 PolarHBondContact O-N 3.21Å; D158-S160 VanDerWaalsContact C-N 3.35Å; D158-S160 WeakPolarHBondContact OD1-CB 3.44Å; D158-S160 PolarHBondContact OD1-N 2.8Å; D158-S160 PolarHBondContact OD1-OG 3.07Å; D158-A163 VanDerWaalsContact O-CB 3.31Å; D158-A163 WeakPolarHBondContact O-CB 3.44Å |
| 159 | N | 89.6 | Confident | 90.4 | Very high | 99 Ų | 99 | 37 Ų | 37 | 53% | 0.529 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -90.1 | 11.2 | -176.8 | -67.8 | -60.5 | 0 | 0 | 0 | 114.3 | E106 R113 | E106-N159 PolarHBondContact O-ND2 3.45Å; R113-N159 PolarHBondContact NH1-OD1 2.82Å; R113-N159 PolarHBondContact NH2-O 3.46Å |
| 160 | S | 89.6 | Confident | 90.4 | Very high | 44 Ų | 44 | 37 Ų | 37 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -67 | 160.2 | 170.2 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | R113 D158 D162 A163 | R113-S160 PolarHBondContact NH2-O 3Å; D158-S160 VanDerWaalsContact C-N 3.35Å; D158-S160 WeakPolarHBondContact OD1-CB 3.44Å; D158-S160 PolarHBondContact OD1-N 2.8Å; D158-S160 PolarHBondContact OD1-OG 3.07Å; S160-D162 VanDerWaalsContact C-N 3.33Å; S160-D162 WeakPolarHBondContact CB-OD1 3.41Å; S160-D162 PolarHBondContact OG-OD1 3.4Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 WeakPolarHBondContact OG-CA 3.17Å; S160-A163 WeakPolarHBondContact OG-CB 3.5Å; S160-A163 PolarHBondContact OG-N 3.38Å; S160-A163 VanDerWaalsContact OG-N 3.13Å |
| 161 | L | 80.5 | Confident | 90.4 | Very high | 148 Ų | 148 | 36.5 Ų | 36.5 | 78% | 0.775 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -74.2 | -29.4 | -179.7 | -72.1 | 170.9 | 0 | 0 | 0 | 111.9 | ||
| 162 | D | 85.6 | Confident | 90.3 | Very high | 139 Ų | 139 | 38.2 Ų | 38.2 | 74% | 0.743 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -99.1 | 10.4 | 179.6 | 59.7 | -38.5 | 0 | 0 | 0 | 112.8 | S160 | S160-D162 VanDerWaalsContact C-N 3.33Å; S160-D162 WeakPolarHBondContact CB-OD1 3.41Å; S160-D162 PolarHBondContact OG-OD1 3.4Å |
| 163 | A | 92.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -51.2 | 128.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F156 D158 S160 | F156-A163 HydrophobicContact CB-CB 4.41Å; F156-A163 HydrophobicContact CD1-CB 4.08Å; F156-A163 VanDerWaalsContact CD1-O 3.32Å; F156-A163 WeakPolarHBondContact CD1-O 3.17Å; D158-A163 VanDerWaalsContact O-CB 3.31Å; D158-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 WeakPolarHBondContact OG-CA 3.17Å; S160-A163 WeakPolarHBondContact OG-CB 3.5Å; S160-A163 PolarHBondContact OG-N 3.38Å; S160-A163 VanDerWaalsContact OG-N 3.13Å |
| 164 | P | 95.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 29% | 0.292 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 141 | 176.9 | 25.9 | -33 | 0 | 0 | 0 | 110.6 | Q131 K157 | Q131-P164 VanDerWaalsContact OE1-CA 3.25Å; K157-P164 HydrophobicContact CB-CG 3.85Å; K157-P164 PolarHBondContact N-O 3.36Å |
| 165 | V | 96.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 135.5 | 167.2 | 63.9 | 0 | 0 | 0 | 0 | 108.8 | N74 V128 Q131 I132 L154 L155 F156 | N74-V165 PolarHBondContact ND2-O 3.29Å; V128-V165 HydrophobicContact CG1-CG1 4.22Å; Q131-V165 HydrophobicContact CB-CG1 3.41Å; Q131-V165 VanDerWaalsContact CB-CG1 3.41Å; Q131-V165 HydrophobicContact CG-CG1 4.29Å; I132-V165 HydrophobicContact CG1-CG1 4.12Å; L154-V165 HydrophobicContact CB-CG2 4.16Å; L154-V165 HydrophobicContact CD2-CG2 4.5Å; L155-V165 WeakPolarHBondContact O-CA 3.42Å; F156-V165 HydrophobicContact CD1-CB 4.31Å; F156-V165 HydrophobicContact CE1-CB 4.06Å; F156-V165 HydrophobicContact CZ-CB 4.45Å |
| 166 | K | 97.5 | Very high | 88.2 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.9 | 179 | -52.4 | -166.3 | 177.7 | -158.7 | 0 | 112 | P73 N74 V76 E103 M105 L155 | P73-K166 WeakPolarHBondContact O-CD 3.11Å; P73-K166 WeakPolarHBondContact O-CE 3.36Å; P73-K166 PolarHBondContact O-NZ 3.37Å; N74-K166 CarbonylContact O-C 3.5Å; N74-K166 VanDerWaalsContact O-CA 3.27Å; N74-K166 WeakPolarHBondContact O-CA 3.46Å; V76-K166 HydrophobicContact CG2-CB 3.9Å; E103-K166 WeakPolarHBondContact OE1-CD 3.5Å; E103-K166 IonicContact OE1-NZ 2.74Å; E103-K166 PolarHBondContact OE1-NZ 2.88Å; E103-K166 IonicContact OE2-NZ 3.5Å; E103-K166 PolarHBondContact OE2-NZ 2.9Å; M105-K166 HydrophobicContact CE-CB 3.72Å; M105-K166 HydrophobicContact CE-CD 3.88Å; M105-K166 HydrophobicContact CE-CG 3.75Å; M105-K166 HydrophobicContact SD-CD 4.09Å; L155-K166 PolarHBondContact N-O 3.12Å; L155-K166 PolarHBondContact O-N 3.24Å |
| 167 | L | 96.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.9 | 171.8 | -179.5 | 61.8 | 0 | 0 | 0 | 110.5 | N74 I75 V76 A135 L136 H146 L149 N153 L154 | N74-L167 PolarHBondContact O-N 2.73Å; I75-L167 HydrophobicContact CG1-CB 4.49Å; V76-L167 PolarHBondContact N-O 3.3Å; A135-L167 HydrophobicContact CB-CB 4.31Å; L136-L167 HydrophobicContact CD2-CD2 4.27Å; H146-L167 HydrophobicContact CB-CD2 4.46Å; L149-L167 HydrophobicContact CD1-CD1 3.69Å; N153-L167 HydrophobicContact CB-CD1 4.45Å; N153-L167 WeakPolarHBondContact O-CA 3.26Å; L154-L167 HydrophobicContact CD2-CB 4.41Å; L154-L167 HydrophobicContact CD2-CD1 4.02Å |
| 168 | C | 91.5 | Very high | 84.5 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | trans | -132.4 | 174.3 | 175.5 | 77 | 0 | 0 | 0 | 0 | 112 | V76 H146 N153 | V76-C168 HydrophobicContact CB-CB 4.1Å; V76-C168 HydrophobicContact CG2-CB 3.61Å; H146-C168 PolarHBondContact NE2-O 3.14Å; H146-C168 VanDerWaalsContact NE2-O 3.17Å; N153-C168 PolarHBondContact O-N 2.96Å | ||
| 169 | D | 85.7 | Confident | 82.2 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | 65.3 | 80.1 | 173.4 | -161.4 | 6.8 | 0 | 0 | 0 | 117 | S33 K51 H146 G171 | S33-D169 WeakPolarHBondContact CB-OD1 3.39Å; S33-D169 VanDerWaalsContact OG-CG 3.28Å; S33-D169 PolarHBondContact OG-OD1 3.29Å; S33-D169 PolarHBondContact OG-OD2 3.37Å; K51-D169 IonicContact NZ-OD1 2.71Å; K51-D169 PolarHBondContact NZ-OD1 3.06Å; H146-D169 PolarHBondContact CE1-O 2.9Å; H146-D169 PolarHBondContact NE2-O 3.2Å; H146-D169 VanDerWaalsContact NE2-O 3.09Å; D169-G171 PolarHBondContact O-N 3.28Å; D169-G171 PolarHBondContact OD1-N 3.05Å | ||
| 170 | F | 87.9 | Confident | 80 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -82.2 | 17.8 | 178.3 | -74.9 | -113.1 | 0 | 0 | 0 | 114 | E62 L65 H66 C69 I75 F172 A173 | E62-F170 HydrophobicContact CG-CB 4.34Å; L65-F170 HydrophobicContact CB-CD1 4.35Å; H66-F170 HydrophobicContact CB-CB 3.92Å; H66-F170 HydrophobicContact CB-CD1 4.35Å; H66-F170 HydrophobicContact CB-CD2 3.82Å; H66-F170 HydrophobicContact CB-CE2 4.48Å; H66-F170 HydrophobicContact CB-CG 3.77Å; H66-F170 AromaticContact CD2-CD2 3.67Å; H66-F170 AromaticContact CD2-CE2 3.63Å; H66-F170 AromaticContact CG-CD2 3.46Å; H66-F170 VanDerWaalsContact CG-CD2 3.46Å; H66-F170 AromaticContact CG-CE2 3.93Å; H66-F170 AromaticContact CG-CG 3.96Å; H66-F170 AromaticContact ND1-CD2 3.79Å; C69-F170 HydrophobicContact CB-CE1 3.86Å; C69-F170 HydrophobicContact CB-CZ 3.85Å; I75-F170 HydrophobicContact CD1-CZ 4.35Å; I75-F170 HydrophobicContact CG2-CE2 3.86Å; I75-F170 HydrophobicContact CG2-CZ 3.9Å; F170-F172 PolarHBondContact O-N 2.73Å; F170-A173 HydrophobicContact CB-CB 3.83Å; F170-A173 HydrophobicContact CD1-CB 3.65Å; F170-A173 HydrophobicContact CG-CB 4.14Å; F170-A173 VanDerWaalsContact O-CB 3.27Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 3.2Å | ||
| 171 | G | 83.4 | Confident | 77.7 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K58 E62 D169 | K58-G171 WeakPolarHBondContact CE-O 3.04Å; E62-G171 VanDerWaalsContact OE2-CA 3.29Å; E62-G171 WeakPolarHBondContact OE2-CA 3.47Å; D169-G171 PolarHBondContact O-N 3.28Å; D169-G171 PolarHBondContact OD1-N 3.05Å |
| 172 | F | 80.8 | Confident | 75.4 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 1.2 | 172.5 | -65.1 | -86.5 | 0 | 0 | 0 | 113.5 | I32 H146 R147 D148 F170 R341 | I32-F172 HydrophobicContact CD1-CZ 4.45Å; I32-F172 HydrophobicContact CG2-CE2 4.36Å; I32-F172 HydrophobicContact CG2-CZ 4.03Å; H146-F172 CarbonylContact O-C 3.51Å; R147-F172 HydrophobicContact CB-CB 4.37Å; R147-F172 PolarHBondContact NE-O 3.27Å; R147-F172 VanDerWaalsContact NE-O 3.1Å; D148-F172 HydrophobicContact CB-CB 4.04Å; D148-F172 HydrophobicContact CB-CD2 3.76Å; D148-F172 HydrophobicContact CB-CG 4.21Å; D148-F172 VanDerWaalsContact OD2-CD2 3.26Å; D148-F172 WeakPolarHBondContact OD2-CD2 3.44Å; D148-F172 WeakPolarHBondContact OD2-CE2 3.4Å; F170-F172 PolarHBondContact O-N 2.73Å; F172-R341 VanDerWaalsContact CE1-NH1 3.34Å; F172-R341 VanDerWaalsContact CG-NH1 3.28Å; F172-R341 VanDerWaalsContact CZ-NH1 3.26Å |
| 173 | A | 83.8 | Confident | 73 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | trans | -65.6 | 147.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L65 I144 A145 H146 F170 | L65-A173 HydrophobicContact CB-CB 4.44Å; L65-A173 VanDerWaalsContact CD1-C 3.46Å; L65-A173 HydrophobicContact CD1-CB 3.91Å; L65-A173 VanDerWaalsContact CD1-O 3.26Å; L65-A173 WeakPolarHBondContact CD1-O 3.46Å; I144-A173 HydrophobicContact CG2-CB 4.22Å; A145-A173 VanDerWaalsContact O-CA 3.23Å; A145-A173 WeakPolarHBondContact O-CA 3.16Å; H146-A173 WeakPolarHBondContact O-CA 3.36Å; H146-A173 PolarHBondContact O-N 2.97Å; F170-A173 HydrophobicContact CB-CB 3.83Å; F170-A173 HydrophobicContact CD1-CB 3.65Å; F170-A173 HydrophobicContact CG-CB 4.14Å; F170-A173 VanDerWaalsContact O-CB 3.27Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 3.2Å | ||
| 174 | K | 82.6 | Confident | 70.1 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.3 | -177.9 | -168.8 | 175.5 | 179.4 | 178.4 | 0 | 110.2 | I144 A145 D176 D344 | I144-K174 WeakPolarHBondContact CA-O 3.32Å; A145-K174 PolarHBondContact N-O 2.82Å; A145-K174 PolarHBondContact O-N 2.91Å; K174-D176 PolarHBondContact O-N 3.32Å; K174-D344 IonicContact NZ-OD1 3.82Å; K174-D344 PolarHBondContact NZ-OD1 3.04Å |
| 175 | I | 81.6 | Confident | 67.1 | Low | 45 Ų | 45 | 55.6 Ų | 55.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 119 | 164.5 | -55.1 | -173.6 | 0 | 0 | 0 | 107.5 | R64 L65 N143 I144 Q177 | R64-I175 VanDerWaalsContact NH2-CD1 3.32Å; L65-I175 HydrophobicContact CD2-CD1 3.92Å; L65-I175 HydrophobicContact CD2-CG1 3.47Å; L65-I175 VanDerWaalsContact CD2-CG1 3.47Å; N143-I175 HydrophobicContact CB-CG2 4.45Å; N143-I175 CarbonylContact O-C 3.57Å; N143-I175 VanDerWaalsContact O-CA 3.29Å; N143-I175 WeakPolarHBondContact O-CA 3.31Å; I144-I175 HydrophobicContact CG1-CG1 4.32Å; I175-Q177 HydrophobicContact CB-CG 4.45Å; I175-Q177 HydrophobicContact CG2-CG 3.8Å; I175-Q177 PolarHBondContact O-N 3.21Å |
| 176 | D | 70 | Confident | 63.9 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | trans | -88.7 | 85.5 | 177.7 | -176 | 54.7 | 0 | 0 | 0 | 108.9 | N143 K174 G178 T217 N219 K220 | N143-D176 PolarHBondContact O-N 3.34Å; K174-D176 PolarHBondContact O-N 3.32Å; D176-G178 PolarHBondContact O-N 3.42Å; D176-T217 WeakPolarHBondContact OD1-CB 3.37Å; D176-T217 PolarHBondContact OD1-OG1 3.49Å; D176-T217 WeakPolarHBondContact OD2-CB 3.37Å; D176-T217 WeakPolarHBondContact OD2-CG2 3.31Å; D176-T217 PolarHBondContact OD2-OG1 3.28Å; D176-N219 PolarHBondContact OD1-ND2 3.35Å; D176-K220 VanDerWaalsContact OD2-CE 3.24Å; D176-K220 WeakPolarHBondContact OD2-CE 3.23Å | ||
| 177 | Q | 61.3 | Low | 60.8 | Low | 138 Ų | 138 | 63.4 Ų | 63.4 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | trans | -74.4 | 14.8 | -177 | -65.6 | 177.4 | -25.9 | 0 | 0 | 113.3 | I175 D179 | I175-Q177 HydrophobicContact CB-CG 4.45Å; I175-Q177 HydrophobicContact CG2-CG 3.8Å; I175-Q177 PolarHBondContact O-N 3.21Å; Q177-D179 HydrophobicContact CB-CB 4.08Å; Q177-D179 PolarHBondContact O-N 3.2Å; Q177-D179 PolarHBondContact OE1-OD2 3.1Å | ||
| 178 | G | 51 | Low | 57.6 | Low | 29 Ų | 29 | 72.8 Ų | 72.8 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 69 | 7.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D176 L180 | D176-G178 PolarHBondContact O-N 3.42Å; G178-L180 PolarHBondContact O-N 3.31Å |
| 179 | D | 43.3 | Very low | 55.1 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -92.9 | 81.4 | -171.6 | -76.7 | -12.3 | 0 | 0 | 0 | 111.6 | Q177 M181 | Q177-D179 HydrophobicContact CB-CB 4.08Å; Q177-D179 PolarHBondContact O-N 3.2Å; Q177-D179 PolarHBondContact OE1-OD2 3.1Å; D179-M181 VanDerWaalsContact CA-N 3.33Å; D179-M181 HydrophobicContact CB-CB 3.74Å; D179-M181 HydrophobicContact CB-CG 4.18Å; D179-M181 PolarHBondContact O-N 2.91Å; D179-M181 WeakPolarHBondContact OD1-CB 3.44Å; D179-M181 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 180 | L | 44.9 | Very low | 52.7 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | trans | -65.7 | 13.8 | 137.3 | -88.4 | 147.8 | 0 | 0 | 0 | 111.7 | G178 V194 A197 | G178-L180 PolarHBondContact O-N 3.31Å; L180-V194 HydrophobicContact CD2-CG1 4.03Å; L180-A197 HydrophobicContact CD1-CB 3.77Å | ||
| 181 | M | 41 | Very low | 50.4 | Low | 88 Ų | 88 | 85.1 Ų | 85.1 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | trans | -92.7 | 7.9 | -157 | -71.8 | -75.7 | -61.8 | 0 | 0 | 115.7 | D179 | D179-M181 VanDerWaalsContact CA-N 3.33Å; D179-M181 HydrophobicContact CB-CB 3.74Å; D179-M181 HydrophobicContact CB-CG 4.18Å; D179-M181 PolarHBondContact O-N 2.91Å; D179-M181 WeakPolarHBondContact OD1-CB 3.44Å; D179-M181 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 182 | T | 31.5 | Very low | 48.2 | Very low | 118 Ų | 118 | 89.5 Ų | 89.5 | 72% | 0.724 | 46% | 0.462 | S | S | * | . | trans | -143.9 | 87.6 | 174.1 | 9.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 183 | P | 34.6 | Very low | 46.5 | Very low | 82 Ų | 82 | 92.1 Ų | 92.1 | 53% | 0.532 | 48% | 0.475 | S | S | . | . | trans | -81 | 110.8 | 140 | 29.3 | -19.2 | 0 | 0 | 0 | 107.7 | F185 | P183-F185 PolarHBondContact O-N 3.07Š| ||
| 184 | Q | 32.3 | Very low | 44.6 | Very low | 171 Ų | 171 | 92.7 Ų | 92.7 | 80% | 0.799 | 48% | 0.478 | S | S | * | . | trans | -64.9 | 95.1 | 148.7 | -85.6 | -179.6 | -18.3 | 0 | 0 | 106.5 | ||||
| 185 | F | 30.8 | Very low | 42.7 | Very low | 192 Ų | 192 | 93.7 Ų | 93.7 | 84% | 0.842 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 37.1 | 86.5 | 161.1 | -57.2 | -82.8 | 0 | 0 | 0 | 117.8 | P183 | P183-F185 PolarHBondContact O-N 3.07Š|
| 186 | T | 31.3 | Very low | 41.1 | Very low | 76 Ų | 76 | 98.3 Ų | 98.3 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | trans | -157.7 | 101.6 | 143.7 | -29 | 0 | 0 | 0 | 0 | 112 | Y188 Y189 | T186-Y188 VanDerWaalsContact C-N 3.34Å; T186-Y188 PolarHBondContact O-N 3.34Å; T186-Y189 HydrophobicContact CG2-CD2 4.41Å | ||
| 187 | P | 31.6 | Very low | 40 | Very low | 105 Ų | 105 | 99.7 Ų | 99.7 | 68% | 0.682 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.3 | -172.4 | 26.9 | -32.1 | 0 | 0 | 0 | 116.2 | ||
| 188 | Y | 29.6 | Very low | 39.6 | Very low | 200 Ų | 200 | 95.3 Ų | 95.3 | 78% | 0.784 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3 | -169 | -65.6 | -74.6 | 0 | 0 | 0 | 116.5 | T186 | T186-Y188 VanDerWaalsContact C-N 3.34Å; T186-Y188 PolarHBondContact O-N 3.34Å |
| 189 | Y | 37.2 | Very low | 39.7 | Very low | 208 Ų | 208 | 102.2 Ų | 102.2 | 82% | 0.816 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -128.9 | 13 | -172.5 | -63.5 | -78.3 | 0 | 0 | 0 | 114.9 | T186 | T186-Y189 HydrophobicContact CG2-CD2 4.41Š|
| 190 | V | 36.8 | Very low | 40.2 | Very low | 48 Ų | 48 | 104.9 Ų | 104.9 | 29% | 0.291 | 52% | 0.52 | S | S | . | . | trans | -81.6 | 124.3 | -175.2 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | V194 L195 | V190-V194 HydrophobicContact CG1-CB 3.47Å; V190-V194 VanDerWaalsContact CG1-CB 3.47Å; V190-V194 HydrophobicContact CG1-CG1 3.41Å; V190-V194 VanDerWaalsContact CG1-CG1 3.41Å; V190-V194 HydrophobicContact CG1-CG2 4.42Å; V190-L195 HydrophobicContact CB-CD2 4.2Å; V190-L195 HydrophobicContact CB-CG 4.3Å; V190-L195 HydrophobicContact CG1-CD2 3.88Å; V190-L195 HydrophobicContact CG1-CG 3.85Å | ||
| 191 | A | 40 | Very low | 40.4 | Very low | 37 Ų | 37 | 105.1 Ų | 105.1 | 31% | 0.306 | 52% | 0.52 | S | S | . | . | trans | -64.9 | 145.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q193 V194 L195 | A191-Q193 VanDerWaalsContact C-N 3.27Å; A191-Q193 PolarHBondContact O-N 3.32Å; A191-Q193 VanDerWaalsContact O-N 3.12Å; A191-V194 HydrophobicContact CB-CG2 4.39Å; A191-V194 WeakPolarHBondContact O-CB 3.15Å; A191-V194 PolarHBondContact O-N 3.16Å; A191-L195 PolarHBondContact O-N 3.31Å | ||
| 192 | P | 36 | Very low | 40.9 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 64% | 0.643 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -52.6 | -38.9 | -172.4 | -27.7 | 34.3 | 0 | 0 | 0 | 114.8 | V194 L195 E196 | P192-V194 PolarHBondContact O-N 3.4Å; P192-L195 PolarHBondContact O-N 2.94Å; P192-E196 PolarHBondContact O-N 3.09Å |
| 193 | Q | 45.5 | Very low | 41.9 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -26.5 | 177.8 | 65.4 | -85.2 | 22.1 | 0 | 0 | 113.6 | A191 A197 Y218 | A191-Q193 VanDerWaalsContact C-N 3.27Å; A191-Q193 PolarHBondContact O-N 3.32Å; A191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-A197 WeakPolarHBondContact O-CB 3.17Å; Q193-A197 PolarHBondContact O-N 2.79Å; Q193-Y218 HydrophobicContact CG-CE2 4.28Å |
| 194 | V | 42.8 | Very low | 42.8 | Very low | 20 Ų | 20 | 104.2 Ų | 104.2 | 12% | 0.121 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -78 | -39.6 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | L180 V190 A191 P192 E196 Q198 I342 | L180-V194 HydrophobicContact CD2-CG1 4.03Å; V190-V194 HydrophobicContact CG1-CB 3.47Å; V190-V194 VanDerWaalsContact CG1-CB 3.47Å; V190-V194 HydrophobicContact CG1-CG1 3.41Å; V190-V194 VanDerWaalsContact CG1-CG1 3.41Å; V190-V194 HydrophobicContact CG1-CG2 4.42Å; A191-V194 HydrophobicContact CB-CG2 4.39Å; A191-V194 WeakPolarHBondContact O-CB 3.15Å; A191-V194 PolarHBondContact O-N 3.16Å; P192-V194 PolarHBondContact O-N 3.4Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-Q198 WeakPolarHBondContact O-CB 3.47Å; V194-Q198 WeakPolarHBondContact O-CG 3.49Å; V194-Q198 PolarHBondContact O-N 3.29Å; V194-I342 HydrophobicContact CG2-CD1 3.99Å; V194-I342 HydrophobicContact CG2-CG1 4.44Å |
| 195 | L | 43.8 | Very low | 43.7 | Very low | 92 Ų | 92 | 102.6 Ų | 102.6 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 175.4 | -66.8 | 173.4 | 0 | 0 | 0 | 111.8 | V190 A191 P192 R199 | V190-L195 HydrophobicContact CB-CD2 4.2Å; V190-L195 HydrophobicContact CB-CG 4.3Å; V190-L195 HydrophobicContact CG1-CD2 3.88Å; V190-L195 HydrophobicContact CG1-CG 3.85Å; A191-L195 PolarHBondContact O-N 3.31Å; P192-L195 PolarHBondContact O-N 2.94Å; L195-R199 VanDerWaalsContact O-CB 3.28Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 3.08Å |
| 196 | E | 47.2 | Very low | 44.8 | Very low | 143 Ų | 143 | 96.8 Ų | 96.8 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.3 | -43.2 | 179.3 | -169 | 151 | -152.1 | 0 | 0 | 112.3 | P192 V194 Q198 R199 R200 | P192-E196 PolarHBondContact O-N 3.09Å; V194-E196 VanDerWaalsContact C-N 3.34Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.38Å; E196-R199 PolarHBondContact O-N 2.9Å; E196-R200 PolarHBondContact O-N 2.97Å; E196-R200 VanDerWaalsContact O-N 3.09Å |
| 197 | A | 48.5 | Very low | 45.7 | Very low | 35 Ų | 35 | 96.2 Ų | 96.2 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 Q193 H201 | L180-A197 HydrophobicContact CD1-CB 3.77Å; Q193-A197 WeakPolarHBondContact O-CB 3.17Å; Q193-A197 PolarHBondContact O-N 2.79Å; A197-H201 PolarHBondContact O-N 3.25Å; A197-H201 VanDerWaalsContact O-N 3.16Å |
| 198 | Q | 51.9 | Low | 46.7 | Very low | 46 Ų | 46 | 96.8 Ų | 96.8 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 175.3 | -76.6 | 171.9 | -14.9 | 0 | 0 | 112.7 | V194 E196 R200 H201 Q202 | V194-Q198 WeakPolarHBondContact O-CB 3.47Å; V194-Q198 WeakPolarHBondContact O-CG 3.49Å; V194-Q198 PolarHBondContact O-N 3.29Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.38Å; Q198-R200 VanDerWaalsContact C-N 3.28Å; Q198-R200 PolarHBondContact O-N 3.4Å; Q198-H201 PolarHBondContact O-N 3.44Å; Q198-Q202 WeakPolarHBondContact O-CG 3.28Å; Q198-Q202 PolarHBondContact O-N 2.79Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å |
| 199 | R | 53 | Low | 47.4 | Very low | 175 Ų | 175 | 89.5 Ų | 89.5 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.2 | -33.7 | -179.1 | -172.1 | -178.8 | -85.2 | 174.9 | -7 | 111.6 | L195 E196 K203 | L195-R199 VanDerWaalsContact O-CB 3.28Å; L195-R199 WeakPolarHBondContact O-CB 3.49Å; L195-R199 PolarHBondContact O-N 3.08Å; E196-R199 PolarHBondContact O-N 2.9Å; R199-K203 VanDerWaalsContact O-CG 3.31Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.45Å |
| 200 | R | 53.4 | Low | 47.6 | Very low | 124 Ų | 124 | 85.4 Ų | 85.4 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.6 | -44.8 | 176.5 | -167.9 | 179 | 175.4 | 135.9 | 0.8 | 112.5 | E196 Q198 Q202 K203 E204 I209 | E196-R200 PolarHBondContact O-N 2.97Å; E196-R200 VanDerWaalsContact O-N 3.09Å; Q198-R200 VanDerWaalsContact C-N 3.28Å; Q198-R200 PolarHBondContact O-N 3.4Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.91Å; R200-K203 CarbonylContact O-C 3.15Å; R200-K203 WeakPolarHBondContact O-CA 3.25Å; R200-K203 WeakPolarHBondContact O-CB 3.35Å; R200-K203 PolarHBondContact O-N 3.44Å; R200-E204 IonicContact NE-OE1 3.62Å; R200-E204 PolarHBondContact NE-OE1 2.93Å; R200-E204 PolarHBondContact O-N 3.39Å; R200-I209 HydrophobicContact CG-CD1 3.47Å; R200-I209 VanDerWaalsContact CG-CD1 3.47Å |
| 201 | H | 50.4 | Low | 48.1 | Very low | 57 Ų | 57 | 88.3 Ų | 88.3 | 26% | 0.264 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 175.9 | -170.4 | 57.1 | 0 | 0 | 0 | 112.6 | A197 Q198 K203 E204 K205 | A197-H201 PolarHBondContact O-N 3.25Å; A197-H201 VanDerWaalsContact O-N 3.16Å; Q198-H201 PolarHBondContact O-N 3.44Å; H201-K203 VanDerWaalsContact C-N 3.31Å; H201-K203 PolarHBondContact O-N 2.75Å; H201-E204 PolarHBondContact O-N 2.97Å; H201-K205 VanDerWaalsContact NE2-CE 3.33Å; H201-K205 WeakPolarHBondContact NE2-CE 3.48Å; H201-K205 WeakPolarHBondContact O-CB 3.35Å; H201-K205 PolarHBondContact O-N 2.87Å |
| 202 | Q | 50.2 | Low | 48.3 | Very low | 135 Ų | 135 | 89.1 Ų | 89.1 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 172.1 | -74.1 | 176 | 2.1 | 0 | 0 | 112.1 | Q198 R200 S206 | Q198-Q202 WeakPolarHBondContact O-CG 3.28Å; Q198-Q202 PolarHBondContact O-N 2.79Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.91Å; Q202-S206 VanDerWaalsContact O-CB 3.29Å; Q202-S206 WeakPolarHBondContact O-CB 3.38Å; Q202-S206 PolarHBondContact O-N 2.98Å; Q202-S206 PolarHBondContact O-OG 3.29Å |
| 203 | K | 52.7 | Low | 48.5 | Very low | 93 Ų | 93 | 90.6 Ų | 90.6 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 174.7 | -70.3 | 176.1 | 177.4 | -170.3 | 0 | 112.7 | R199 R200 H201 S206 G207 I208 I209 | R199-K203 VanDerWaalsContact O-CG 3.31Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.45Å; R200-K203 CarbonylContact O-C 3.15Å; R200-K203 WeakPolarHBondContact O-CA 3.25Å; R200-K203 WeakPolarHBondContact O-CB 3.35Å; R200-K203 PolarHBondContact O-N 3.44Å; H201-K203 VanDerWaalsContact C-N 3.31Å; H201-K203 PolarHBondContact O-N 2.75Å; K203-S206 VanDerWaalsContact CA-OG 3.31Å; K203-S206 WeakPolarHBondContact CA-OG 3.45Å; K203-S206 PolarHBondContact O-OG 3.37Å; K203-G207 PolarHBondContact O-N 2.9Å; K203-I208 HydrophobicContact CB-CB 4.14Å; K203-I208 HydrophobicContact CB-CG2 4.39Å; K203-I208 HydrophobicContact CG-CB 4.43Å; K203-I208 HydrophobicContact CG-CD1 4.48Å; K203-I208 HydrophobicContact CG-CG2 4.34Å; K203-I208 PolarHBondContact O-N 3.45Å; K203-I209 HydrophobicContact CB-CD1 3.8Å; K203-I209 HydrophobicContact CB-CG1 3.77Å; K203-I209 PolarHBondContact O-N 3.01Å |
| 204 | E | 53.2 | Low | 48.3 | Very low | 41 Ų | 41 | 90.5 Ų | 90.5 | 19% | 0.192 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68 | -45.4 | 173.9 | -72.3 | 171.5 | -168.2 | 0 | 0 | 111.3 | R200 H201 S206 G207 I209 | R200-E204 IonicContact NE-OE1 3.62Å; R200-E204 PolarHBondContact NE-OE1 2.93Å; R200-E204 PolarHBondContact O-N 3.39Å; H201-E204 PolarHBondContact O-N 2.97Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 2.87Å; E204-G207 PolarHBondContact O-N 3.32Å; E204-I209 HydrophobicContact CB-CG1 4.36Å; E204-I209 HydrophobicContact CG-CD1 3.58Å; E204-I209 HydrophobicContact CG-CG1 3.56Å |
| 205 | K | 52.2 | Low | 48.6 | Very low | 137 Ų | 137 | 94.4 Ų | 94.4 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.2 | -30.4 | 176.4 | -80.6 | -174.3 | 171.5 | 178.6 | 0 | 114.1 | H201 G207 | H201-K205 VanDerWaalsContact NE2-CE 3.33Å; H201-K205 WeakPolarHBondContact NE2-CE 3.48Å; H201-K205 WeakPolarHBondContact O-CB 3.35Å; H201-K205 PolarHBondContact O-N 2.87Å; K205-G207 VanDerWaalsContact C-N 3.27Å |
| 206 | S | 54.5 | Low | 49 | Very low | 70 Ų | 70 | 93.4 Ų | 93.4 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.5 | 175.2 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | Q202 K203 E204 I208 | Q202-S206 VanDerWaalsContact O-CB 3.29Å; Q202-S206 WeakPolarHBondContact O-CB 3.38Å; Q202-S206 PolarHBondContact O-N 2.98Å; Q202-S206 PolarHBondContact O-OG 3.29Å; K203-S206 VanDerWaalsContact CA-OG 3.31Å; K203-S206 WeakPolarHBondContact CA-OG 3.45Å; K203-S206 PolarHBondContact O-OG 3.37Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 2.87Å; S206-I208 PolarHBondContact O-N 3.23Å; S206-I208 VanDerWaalsContact OG-CD1 3.23Å; S206-I208 WeakPolarHBondContact OG-CD1 3.35Å; S206-I208 WeakPolarHBondContact OG-CG1 3.47Å |
| 207 | G | 50.1 | Low | 49.8 | Very low | 63 Ų | 63 | 87.3 Ų | 87.3 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 11.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K203 E204 K205 I209 | K203-G207 PolarHBondContact O-N 2.9Å; E204-G207 PolarHBondContact O-N 3.32Å; K205-G207 VanDerWaalsContact C-N 3.27Å; G207-I209 VanDerWaalsContact C-N 3.29Å |
| 208 | I | 52.5 | Low | 50.6 | Low | 117 Ų | 117 | 87.1 Ų | 87.1 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -71.5 | -27.5 | 179.6 | -64 | 174.8 | 0 | 0 | 0 | 111 | K203 S206 | K203-I208 HydrophobicContact CB-CB 4.14Å; K203-I208 HydrophobicContact CB-CG2 4.39Å; K203-I208 HydrophobicContact CG-CB 4.43Å; K203-I208 HydrophobicContact CG-CD1 4.48Å; K203-I208 HydrophobicContact CG-CG2 4.34Å; K203-I208 PolarHBondContact O-N 3.45Å; S206-I208 PolarHBondContact O-N 3.23Å; S206-I208 VanDerWaalsContact OG-CD1 3.23Å; S206-I208 WeakPolarHBondContact OG-CD1 3.35Å; S206-I208 WeakPolarHBondContact OG-CG1 3.47Å |
| 209 | I | 43.3 | Very low | 51.6 | Low | 48 Ų | 48 | 85.9 Ų | 85.9 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -132.1 | 149.7 | 173.3 | 54.2 | 177.3 | 0 | 0 | 0 | 110.4 | R200 K203 E204 G207 T211 | R200-I209 HydrophobicContact CG-CD1 3.47Å; R200-I209 VanDerWaalsContact CG-CD1 3.47Å; K203-I209 HydrophobicContact CB-CD1 3.8Å; K203-I209 HydrophobicContact CB-CG1 3.77Å; K203-I209 PolarHBondContact O-N 3.01Å; E204-I209 HydrophobicContact CB-CG1 4.36Å; E204-I209 HydrophobicContact CG-CD1 3.58Å; E204-I209 HydrophobicContact CG-CG1 3.56Å; G207-I209 VanDerWaalsContact C-N 3.29Å; I209-T211 PolarHBondContact O-N 2.95Å |
| 210 | P | 42.5 | Very low | 53 | Low | 122 Ų | 122 | 79 Ų | 79 | 79% | 0.792 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 131.5 | 179.8 | -22 | 31.7 | 0 | 0 | 0 | 111 | S212 | P210-S212 PolarHBondContact O-N 3.1Š|
| 211 | T | 46.8 | Very low | 54.4 | Low | 108 Ų | 108 | 73.1 Ų | 73.1 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 119.1 | 174.3 | -16.7 | 0 | 0 | 0 | 0 | 107.9 | I209 | I209-T211 PolarHBondContact O-N 2.95Š|
| 212 | S | 43.7 | Very low | 56 | Low | 54 Ų | 54 | 70.7 Ų | 70.7 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 127.2 | 170.8 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | P210 T214 | P210-S212 PolarHBondContact O-N 3.1Å; S212-T214 PolarHBondContact O-N 3.26Å; S212-T214 VanDerWaalsContact O-N 3.08Å; S212-T214 PolarHBondContact OG-N 3.27Å; S212-T214 PolarHBondContact OG-O 2.77Å |
| 213 | P | 39.5 | Very low | 57.8 | Low | 131 Ų | 131 | 64.3 Ų | 64.3 | 85% | 0.851 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -62.5 | -17.9 | 179.9 | 23.6 | -31.7 | 0 | 0 | 0 | 112.4 | ||
| 214 | T | 42.3 | Very low | 59.7 | Low | 90 Ų | 90 | 60 Ų | 60 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -113.7 | 115.2 | 171.1 | 50 | 0 | 0 | 0 | 0 | 110.1 | S212 Y216 | S212-T214 PolarHBondContact O-N 3.26Å; S212-T214 VanDerWaalsContact O-N 3.08Å; S212-T214 PolarHBondContact OG-N 3.27Å; S212-T214 PolarHBondContact OG-O 2.77Å; T214-Y216 PolarHBondContact O-N 3.23Å |
| 215 | P | 48.8 | Very low | 61.4 | Low | 101 Ų | 101 | 58.4 Ų | 58.4 | 66% | 0.656 | 35% | 0.347 | S | S | * | . | trans | -67.2 | 106.6 | 174.6 | 25 | -30.1 | 0 | 0 | 0 | 109.1 | ||||
| 216 | Y | 52.9 | Low | 63.2 | Low | 72 Ų | 72 | 51.9 Ų | 51.9 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | trans | -91.9 | 120.9 | 178.9 | -173.4 | -91.3 | 0 | 0 | 0 | 109.4 | T214 S221 P289 R292 T294 | T214-Y216 PolarHBondContact O-N 3.23Å; Y216-S221 VanDerWaalsContact CZ-CB 3.46Å; Y216-S221 WeakPolarHBondContact OH-CB 3.47Å; Y216-P289 HydrophobicContact CD1-CB 4.48Å; Y216-P289 HydrophobicContact CE1-CB 3.53Å; Y216-P289 WeakPolarHBondContact CE1-O 3.2Å; Y216-P289 PolarHBondContact OH-O 3.04Å; Y216-R292 WeakPolarHBondContact OH-CB 3.35Å; Y216-T294 HydrophobicContact CD2-CG2 4.46Å | ||
| 217 | T | 64 | Low | 65.1 | Low | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | trans | -117.9 | 150.2 | -172.8 | 66.6 | 0 | 0 | 0 | 0 | 112 | D176 N219 K220 S221 | D176-T217 WeakPolarHBondContact OD1-CB 3.37Å; D176-T217 PolarHBondContact OD1-OG1 3.49Å; D176-T217 WeakPolarHBondContact OD2-CB 3.37Å; D176-T217 WeakPolarHBondContact OD2-CG2 3.31Å; D176-T217 PolarHBondContact OD2-OG1 3.28Å; T217-N219 PolarHBondContact O-N 2.94Å; T217-K220 PolarHBondContact O-N 3.29Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.31Å | ||
| 218 | Y | 65.6 | Low | 67.3 | Low | 32 Ų | 32 | 45.6 Ų | 45.6 | 13% | 0.125 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.5 | -41 | 178.6 | -175.4 | -92.9 | 0 | 0 | 0 | 112.2 | Q193 S221 C222 M340 I342 | Q193-Y218 HydrophobicContact CG-CE2 4.28Å; Y218-S221 WeakPolarHBondContact O-CB 3.46Å; Y218-S221 PolarHBondContact O-N 2.97Å; Y218-S221 PolarHBondContact O-OG 3.38Å; Y218-C222 VanDerWaalsContact CE1-SG 3.56Å; Y218-C222 PolarHBondContact O-N 2.89Å; Y218-C222 VanDerWaalsContact O-N 3.09Å; Y218-C222 PolarHBondContact O-SG 2.95Å; Y218-M340 WeakPolarHBondContact CE1-O 3.09Å; Y218-M340 PolarHBondContact OH-O 2.92Å; Y218-I342 HydrophobicContact CD1-CD1 3.41Å; Y218-I342 VanDerWaalsContact CD1-CD1 3.41Å; Y218-I342 HydrophobicContact CD1-CG1 3.97Å; Y218-I342 HydrophobicContact CE1-CD1 3.5Å; Y218-I342 VanDerWaalsContact CE1-CD1 3.5Å; Y218-I342 HydrophobicContact CE1-CG1 3.53Å; Y218-I342 HydrophobicContact CG-CD1 4.03Å |
| 219 | N | 71.6 | Confident | 69.1 | Low | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -48.4 | -176.5 | -60.1 | -52.3 | 0 | 0 | 0 | 112.4 | A145 R147 D176 T217 S221 C222 | A145-N219 HydrophobicContact CB-CB 3.53Å; R147-N219 HydrophobicContact CG-CB 4.34Å; D176-N219 PolarHBondContact OD1-ND2 3.35Å; T217-N219 PolarHBondContact O-N 2.94Å; N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.19Å; N219-C222 WeakPolarHBondContact O-CB 3.47Å; N219-C222 PolarHBondContact O-N 3.11Å |
| 220 | K | 83.6 | Confident | 71.4 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -34.9 | 177 | -64.6 | -178.4 | -172.1 | -176.3 | 0 | 111 | H140 N143 A145 D176 T217 C222 D223 L224 | H140-K220 HydrophobicContact CB-CD 4.18Å; H140-K220 PolarHBondContact O-NZ 2.92Å; N143-K220 PolarHBondContact OD1-NZ 2.9Å; A145-K220 HydrophobicContact CB-CG 4.22Å; D176-K220 VanDerWaalsContact OD2-CE 3.24Å; D176-K220 WeakPolarHBondContact OD2-CE 3.23Å; T217-K220 PolarHBondContact O-N 3.29Å; K220-C222 VanDerWaalsContact C-N 3.28Å; K220-C222 PolarHBondContact O-N 3.15Å; K220-D223 PolarHBondContact O-N 3.34Å; K220-L224 PolarHBondContact O-N 3.14Å |
| 221 | S | 82.5 | Confident | 74 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -34.3 | 175.4 | 88.1 | 0 | 0 | 0 | 0 | 113.2 | Y216 T217 Y218 N219 D223 L224 W225 R292 | Y216-S221 VanDerWaalsContact CZ-CB 3.46Å; Y216-S221 WeakPolarHBondContact OH-CB 3.47Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.31Å; Y218-S221 WeakPolarHBondContact O-CB 3.46Å; Y218-S221 PolarHBondContact O-N 2.97Å; Y218-S221 PolarHBondContact O-OG 3.38Å; N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.19Å; S221-D223 VanDerWaalsContact C-N 3.34Å; S221-L224 PolarHBondContact O-N 3.34Å; S221-W225 PolarHBondContact O-N 3.02Å; S221-R292 VanDerWaalsContact C-NH1 3.27Å; S221-R292 PolarHBondContact O-NH1 3.04Å; S221-R292 PolarHBondContact OG-NH1 2.86Å |
| 222 | C | 82.6 | Confident | 76.2 | Confident | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 177.6 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | Y218 N219 K220 L224 W225 S226 | Y218-C222 VanDerWaalsContact CE1-SG 3.56Å; Y218-C222 PolarHBondContact O-N 2.89Å; Y218-C222 VanDerWaalsContact O-N 3.09Å; Y218-C222 PolarHBondContact O-SG 2.95Å; N219-C222 WeakPolarHBondContact O-CB 3.47Å; N219-C222 PolarHBondContact O-N 3.11Å; K220-C222 VanDerWaalsContact C-N 3.28Å; K220-C222 PolarHBondContact O-N 3.15Å; C222-L224 VanDerWaalsContact C-N 3.29Å; C222-L224 PolarHBondContact O-N 3.4Å; C222-W225 PolarHBondContact O-N 3.13Å; C222-S226 PolarHBondContact O-N 3.33Å; C222-S226 PolarHBondContact O-OG 3.3Å |
| 223 | D | 88.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.2 | -65.4 | -26.2 | 0 | 0 | 0 | 111.1 | L136 H140 H146 R147 L149 K220 S221 S226 L227 | L136-D223 HydrophobicContact CD1-CB 4.47Å; L136-D223 HydrophobicContact CD2-CB 4.03Å; H140-D223 IonicContact CD2-OD2 3.52Å; H140-D223 IonicContact CE1-OD2 3.77Å; H140-D223 IonicContact NE2-OD2 2.63Å; H140-D223 PolarHBondContact NE2-OD2 3.12Å; H146-D223 PolarHBondContact N-OD2 3.39Å; R147-D223 WeakPolarHBondContact CA-OD1 3.36Å; R147-D223 PolarHBondContact N-OD1 3.34Å; L149-D223 WeakPolarHBondContact CD2-O 3.45Å; K220-D223 PolarHBondContact O-N 3.34Å; S221-D223 VanDerWaalsContact C-N 3.34Å; D223-S226 PolarHBondContact O-N 3.37Å; D223-L227 WeakPolarHBondContact O-CB 3.38Å; D223-L227 PolarHBondContact O-N 3.42Å |
| 224 | L | 92.4 | Very high | 81 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 179.8 | -60.3 | 175.9 | 0 | 0 | 0 | 112.3 | K220 S221 C222 L227 G228 L284 R292 L293 I295 | K220-L224 PolarHBondContact O-N 3.14Å; S221-L224 PolarHBondContact O-N 3.34Å; C222-L224 VanDerWaalsContact C-N 3.29Å; C222-L224 PolarHBondContact O-N 3.4Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.01Å; L224-G228 PolarHBondContact O-N 3.5Å; L224-L284 HydrophobicContact CB-CD2 3.95Å; L224-L284 WeakPolarHBondContact O-CD2 3.4Å; L224-R292 HydrophobicContact CB-CG 4.46Å; L224-L293 WeakPolarHBondContact CD1-O 3.49Å; L224-I295 HydrophobicContact CD2-CB 4.09Å; L224-I295 HydrophobicContact CD2-CD1 3.76Å; L224-I295 HydrophobicContact CD2-CG1 4.49Å |
| 225 | W | 89.5 | Confident | 83.4 | Confident | 6 Ų | 6 | 14 Ų | 14 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 171.2 | 177.2 | -79.2 | 0 | 0 | 0 | 111.3 | S221 C222 L227 G228 V229 F241 I258 L285 M340 | S221-W225 PolarHBondContact O-N 3.02Å; C222-W225 PolarHBondContact O-N 3.13Å; W225-L227 VanDerWaalsContact C-N 3.27Å; W225-L227 PolarHBondContact O-N 2.77Å; W225-G228 WeakPolarHBondContact O-CA 3.45Å; W225-G228 PolarHBondContact O-N 2.59Å; W225-V229 PolarHBondContact O-N 3.25Å; W225-F241 HydrophobicContact CH2-CE2 4.22Å; W225-F241 AromaticContact CH2-CZ 3.81Å; W225-F241 HydrophobicContact CH2-CZ 3.81Å; W225-F241 HydrophobicContact CZ2-CD2 4.47Å; W225-F241 AromaticContact CZ2-CE2 3.46Å; W225-F241 HydrophobicContact CZ2-CE2 3.46Å; W225-F241 VanDerWaalsContact CZ2-CE2 3.46Å; W225-F241 AromaticContact CZ2-CZ 3.53Å; W225-F241 HydrophobicContact CZ2-CZ 3.53Å; W225-I258 HydrophobicContact CZ2-CG2 4.16Å; W225-L285 HydrophobicContact CD2-CD2 3.94Å; W225-L285 HydrophobicContact CE3-CD2 4.22Å; W225-L285 HydrophobicContact CG-CD2 4.31Å; W225-L285 HydrophobicContact CZ2-CD2 4.4Å; W225-L285 HydrophobicContact CZ3-CB 4.49Å; W225-L285 WeakPolarHBondContact CZ3-O 3.49Å; W225-L285 WeakPolarHBondContact O-CD2 3.19Å; W225-M340 HydrophobicContact CB-CE 3.82Å; W225-M340 HydrophobicContact CD2-CE 3.82Å; W225-M340 HydrophobicContact CD2-SD 4.13Å; W225-M340 HydrophobicContact CG-CE 3.47Å; W225-M340 VanDerWaalsContact CG-CE 3.47Å; W225-M340 HydrophobicContact CG-SD 3.84Å; W225-M340 PolarHBondContact NE1-SD 3Å; W225-M340 VanDerWaalsContact NE1-SD 3.41Å |
| 226 | S | 89.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 177.2 | -78.2 | 0 | 0 | 0 | 0 | 112.6 | L149 C222 D223 G228 V229 I230 H333 L337 | L149-S226 VanDerWaalsContact O-CB 3.25Å; L149-S226 WeakPolarHBondContact O-CB 3.47Å; L149-S226 PolarHBondContact O-OG 3.11Å; C222-S226 PolarHBondContact O-N 3.33Å; C222-S226 PolarHBondContact O-OG 3.3Å; D223-S226 PolarHBondContact O-N 3.37Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.76Å; S226-V229 PolarHBondContact O-N 2.87Å; S226-I230 WeakPolarHBondContact O-CD1 3.09Å; S226-I230 VanDerWaalsContact O-CG1 3.3Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.11Å; S226-H333 PolarHBondContact OG-NE2 2.97Å; S226-L337 WeakPolarHBondContact OG-CD2 3.25Å |
| 227 | L | 95.5 | Very high | 87 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 172.6 | -176.4 | 62.2 | 0 | 0 | 0 | 110.9 | T129 I132 A133 L136 L149 D223 L224 W225 V229 I230 I231 L284 V298 | T129-L227 HydrophobicContact CG2-CD1 4.31Å; I132-L227 HydrophobicContact CB-CD1 4.23Å; I132-L227 HydrophobicContact CG2-CD1 3.74Å; A133-L227 HydrophobicContact CB-CD2 4.5Å; L136-L227 HydrophobicContact CD1-CB 4.47Å; L136-L227 HydrophobicContact CD1-CD2 4.26Å; L149-L227 HydrophobicContact CD2-CB 4.04Å; D223-L227 WeakPolarHBondContact O-CB 3.38Å; D223-L227 PolarHBondContact O-N 3.42Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.01Å; W225-L227 VanDerWaalsContact C-N 3.27Å; W225-L227 PolarHBondContact O-N 2.77Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 PolarHBondContact O-N 3.5Å; L227-I230 PolarHBondContact O-N 3.02Å; L227-I231 HydrophobicContact CD1-CD1 4.3Å; L227-I231 HydrophobicContact CD1-CG1 4.42Å; L227-I231 HydrophobicContact CG-CD1 3.89Å; L227-I231 HydrophobicContact CG-CG1 4.46Å; L227-I231 VanDerWaalsContact O-CG1 3.23Å; L227-I231 WeakPolarHBondContact O-CG1 3.34Å; L227-I231 PolarHBondContact O-N 3.04Å; L227-L284 HydrophobicContact CD2-CD1 4.4Å; L227-L284 HydrophobicContact CG-CD1 4.3Å; L227-V298 HydrophobicContact CD2-CG1 4.12Å; L227-V298 HydrophobicContact CD2-CG2 4.48Å |
| 228 | G | 94.7 | Very high | 88 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L224 W225 S226 I231 Y232 | L224-G228 PolarHBondContact O-N 3.5Å; W225-G228 WeakPolarHBondContact O-CA 3.45Å; W225-G228 PolarHBondContact O-N 2.59Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.76Å; G228-I231 PolarHBondContact O-N 3.22Å; G228-Y232 WeakPolarHBondContact O-CB 3.17Å; G228-Y232 PolarHBondContact O-N 3.19Å |
| 229 | V | 90.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.006 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | W225 S226 L227 Y232 V233 P240 F241 L285 | W225-V229 PolarHBondContact O-N 3.25Å; S226-V229 PolarHBondContact O-N 2.87Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 PolarHBondContact O-N 3.5Å; V229-Y232 PolarHBondContact O-N 3.09Å; V229-V233 HydrophobicContact CG1-CG2 4.45Å; V229-V233 VanDerWaalsContact O-CG2 3.25Å; V229-V233 WeakPolarHBondContact O-CG2 3.24Å; V229-V233 PolarHBondContact O-N 3.13Å; V229-P240 HydrophobicContact CG1-CG 4.33Å; V229-P240 HydrophobicContact CG2-CG 4.2Å; V229-F241 HydrophobicContact CG2-CE2 4.42Å; V229-L285 HydrophobicContact CG2-CD2 3.86Å |
| 230 | I | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 178.6 | -70.2 | 160.6 | 0 | 0 | 0 | 110.8 | L110 F111 L149 L154 S226 L227 V233 M234 | L110-I230 HydrophobicContact CD2-CG2 3.79Å; F111-I230 HydrophobicContact CZ-CG2 4.44Å; L149-I230 HydrophobicContact CD2-CD1 4.07Å; L149-I230 HydrophobicContact CG-CD1 3.77Å; L154-I230 HydrophobicContact CD1-CD1 3.83Å; L154-I230 HydrophobicContact CD1-CG2 4.32Å; S226-I230 WeakPolarHBondContact O-CD1 3.09Å; S226-I230 VanDerWaalsContact O-CG1 3.3Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.11Å; L227-I230 PolarHBondContact O-N 3.02Å; I230-V233 PolarHBondContact O-N 3.27Å; I230-M234 HydrophobicContact CG2-CE 4.04Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 4.35Å; I230-M234 WeakPolarHBondContact O-CB 3.07Å; I230-M234 WeakPolarHBondContact O-CG 3.45Å; I230-M234 PolarHBondContact O-N 3.21Å |
| 231 | I | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 176.2 | -65.6 | 162.4 | 0 | 0 | 0 | 110.3 | T129 L227 G228 V233 M234 L235 V280 V281 L284 W303 | T129-I231 HydrophobicContact CG2-CD1 3.61Å; T129-I231 HydrophobicContact CG2-CG1 3.84Å; L227-I231 HydrophobicContact CD1-CD1 4.3Å; L227-I231 HydrophobicContact CD1-CG1 4.42Å; L227-I231 HydrophobicContact CG-CD1 3.89Å; L227-I231 HydrophobicContact CG-CG1 4.46Å; L227-I231 VanDerWaalsContact O-CG1 3.23Å; L227-I231 WeakPolarHBondContact O-CG1 3.34Å; L227-I231 PolarHBondContact O-N 3.04Å; G228-I231 PolarHBondContact O-N 3.22Å; I231-V233 VanDerWaalsContact C-N 3.28Å; I231-V233 PolarHBondContact O-N 2.61Å; I231-M234 HydrophobicContact CG1-CE 4.19Å; I231-M234 PolarHBondContact O-N 2.85Å; I231-L235 HydrophobicContact CG2-CD1 3.69Å; I231-L235 HydrophobicContact CG2-CG 4.24Å; I231-L235 WeakPolarHBondContact O-CB 3.27Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.04Å; I231-L235 PolarHBondContact O-N 3.38Å; I231-V280 HydrophobicContact CG2-CG1 4.49Å; I231-V281 HydrophobicContact CB-CG2 4.11Å; I231-V281 HydrophobicContact CG2-CG2 3.5Å; I231-L284 HydrophobicContact CD1-CD1 3.55Å; I231-W303 HydrophobicContact CD1-CZ3 4.39Å; I231-W303 HydrophobicContact CG1-CZ3 4.43Å; I231-W303 HydrophobicContact CG2-CH2 3.88Å; I231-W303 HydrophobicContact CG2-CZ3 3.94Å |
| 232 | Y | 93.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 10 Ų | 10 | 2% | 0.02 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -53.4 | -48.7 | 178.3 | -175.2 | -74.3 | 0 | 0 | 0 | 111 | G228 V229 L235 C236 Y238 P240 F263 E264 F265 W270 V281 | G228-Y232 WeakPolarHBondContact O-CB 3.17Å; G228-Y232 PolarHBondContact O-N 3.19Å; V229-Y232 PolarHBondContact O-N 3.09Å; Y232-L235 PolarHBondContact O-N 2.92Å; Y232-C236 VanDerWaalsContact CD1-SG 3.59Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.46Å; Y232-C236 PolarHBondContact O-N 3.18Å; Y232-C236 PolarHBondContact O-SG 2.62Å; Y232-C236 VanDerWaalsContact O-SG 3.33Å; Y232-Y238 WeakPolarHBondContact CD1-O 3.09Å; Y232-Y238 AromaticContact CE1-CD2 3.86Å; Y232-Y238 HydrophobicContact CE1-CD2 3.86Å; Y232-Y238 AromaticContact CE1-CE2 3.78Å; Y232-Y238 HydrophobicContact CE1-CE2 3.78Å; Y232-Y238 VanDerWaalsContact CE1-O 3.25Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.39Å; Y232-Y238 AromaticContact CZ-CE2 3.96Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.38Å; Y232-P240 HydrophobicContact CD1-CB 3.86Å; Y232-P240 HydrophobicContact CD1-CG 4.12Å; Y232-P240 HydrophobicContact CD2-CB 3.73Å; Y232-P240 HydrophobicContact CD2-CG 4.41Å; Y232-P240 HydrophobicContact CE1-CB 3.99Å; Y232-P240 HydrophobicContact CE2-CB 3.89Å; Y232-P240 HydrophobicContact CG-CB 3.76Å; Y232-P240 HydrophobicContact CG-CG 4.01Å; Y232-F263 HydrophobicContact CD2-CD2 4.18Å; Y232-F263 HydrophobicContact CD2-CE2 4.39Å; Y232-F263 AromaticContact CE2-CD2 3.85Å; Y232-F263 HydrophobicContact CE2-CD2 3.85Å; Y232-F263 HydrophobicContact CE2-CE2 4.38Å; Y232-E264 PolarHBondContact OH-O 2.63Å; Y232-F265 HydrophobicContact CD2-CE1 4.08Å; Y232-F265 AromaticContact CE2-CD1 3.92Å; Y232-F265 HydrophobicContact CE2-CD1 3.92Å; Y232-F265 AromaticContact CE2-CE1 3.91Å; Y232-F265 HydrophobicContact CE2-CE1 3.91Å; Y232-W270 HydrophobicContact CD1-CZ2 4.04Å; Y232-W270 AromaticContact CD2-CH2 3.84Å; Y232-W270 HydrophobicContact CD2-CH2 3.84Å; Y232-W270 AromaticContact CD2-CZ2 3.56Å; Y232-W270 HydrophobicContact CD2-CZ2 3.56Å; Y232-W270 AromaticContact CE1-CZ2 3.9Å; Y232-W270 HydrophobicContact CE1-CZ2 3.9Å; Y232-W270 HydrophobicContact CE2-CH2 4.04Å; Y232-W270 AromaticContact CE2-CZ2 3.38Å; Y232-W270 HydrophobicContact CE2-CZ2 3.38Å; Y232-W270 HydrophobicContact CG-CH2 4.19Å; Y232-W270 AromaticContact CG-CZ2 3.85Å; Y232-W270 HydrophobicContact CG-CZ2 3.85Å; Y232-W270 AromaticContact CZ-CE2 3.97Å; Y232-W270 AromaticContact CZ-CZ2 3.54Å; Y232-W270 AromaticContact CZ-NE1 3.92Å; Y232-V281 HydrophobicContact CD2-CG1 3.87Å |
| 233 | V | 91.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.012 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 180 | 174 | 0 | 0 | 0 | 0 | 112 | F111 V229 I230 I231 L235 G237 Y238 P239 M320 I329 | F111-V233 HydrophobicContact CD1-CG1 4.4Å; F111-V233 HydrophobicContact CD2-CG1 4.11Å; F111-V233 HydrophobicContact CE1-CB 4.28Å; F111-V233 HydrophobicContact CE1-CG1 3.75Å; F111-V233 HydrophobicContact CE2-CB 4.12Å; F111-V233 HydrophobicContact CE2-CG1 3.37Å; F111-V233 HydrophobicContact CZ-CB 3.61Å; F111-V233 HydrophobicContact CZ-CG1 3.2Å; F111-V233 HydrophobicContact CZ-CG2 4.48Å; V229-V233 HydrophobicContact CG1-CG2 4.45Å; V229-V233 VanDerWaalsContact O-CG2 3.25Å; V229-V233 WeakPolarHBondContact O-CG2 3.24Å; V229-V233 PolarHBondContact O-N 3.13Å; I230-V233 PolarHBondContact O-N 3.27Å; I231-V233 VanDerWaalsContact C-N 3.28Å; I231-V233 PolarHBondContact O-N 2.61Å; V233-L235 PolarHBondContact O-N 3.19Å; V233-G237 VanDerWaalsContact O-CA 3.29Å; V233-G237 WeakPolarHBondContact O-CA 3.33Å; V233-G237 PolarHBondContact O-N 3.35Å; V233-Y238 WeakPolarHBondContact CG2-O 3.17Å; V233-P239 HydrophobicContact CG2-CB 4.32Å; V233-M320 HydrophobicContact CG1-CE 3.23Å; V233-M320 WeakPolarHBondContact O-CE 3.08Å; V233-I329 HydrophobicContact CG1-CD1 4.47Å; V233-I329 HydrophobicContact CG1-CG2 3.81Å; V233-I329 HydrophobicContact CG2-CG2 4.11Å |
| 234 | M | 93.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -34.1 | 175.8 | -77.8 | -167.4 | -60.6 | 0 | 0 | 112.1 | L110 F111 I114 F120 A125 V128 T129 I230 I231 S316 | L110-M234 HydrophobicContact CD1-SD 4.11Å; L110-M234 HydrophobicContact CD2-CG 4.33Å; L110-M234 HydrophobicContact CD2-SD 3.88Å; L110-M234 HydrophobicContact CG-SD 4.4Å; F111-M234 HydrophobicContact CE1-CG 3.75Å; I114-M234 HydrophobicContact CD1-CG 3.92Å; I114-M234 HydrophobicContact CD1-SD 4.42Å; F120-M234 HydrophobicContact CE1-CB 4.26Å; A125-M234 HydrophobicContact CB-CB 4.49Å; V128-M234 HydrophobicContact CB-SD 4.32Å; V128-M234 HydrophobicContact CG1-CE 4.45Å; V128-M234 HydrophobicContact CG1-SD 3.76Å; T129-M234 WeakPolarHBondContact OG1-CE 3.44Å; I230-M234 HydrophobicContact CG2-CE 4.04Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 4.35Å; I230-M234 WeakPolarHBondContact O-CB 3.07Å; I230-M234 WeakPolarHBondContact O-CG 3.45Å; I230-M234 PolarHBondContact O-N 3.21Å; I231-M234 HydrophobicContact CG1-CE 4.19Å; I231-M234 PolarHBondContact O-N 2.85Å; M234-S316 WeakPolarHBondContact O-CB 3.47Å; M234-S316 PolarHBondContact O-OG 3.46Å |
| 235 | L | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -76.1 | -48.5 | -178.4 | -72.6 | 174.4 | 0 | 0 | 0 | 112 | E122 A125 I231 Y232 V233 W270 I273 A277 V281 W303 L314 P315 | E122-L235 HydrophobicContact CG-CD2 4.11Å; A125-L235 HydrophobicContact CB-CD2 4.32Å; I231-L235 HydrophobicContact CG2-CD1 3.69Å; I231-L235 HydrophobicContact CG2-CG 4.24Å; I231-L235 WeakPolarHBondContact O-CB 3.27Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.04Å; I231-L235 PolarHBondContact O-N 3.38Å; Y232-L235 PolarHBondContact O-N 2.92Å; V233-L235 PolarHBondContact O-N 3.19Å; L235-W270 HydrophobicContact CB-CH2 3.84Å; L235-W270 HydrophobicContact CB-CZ2 4.42Å; L235-W270 HydrophobicContact CB-CZ3 4.18Å; L235-W270 HydrophobicContact CD1-CH2 3.85Å; L235-W270 HydrophobicContact CD1-CZ3 3.84Å; L235-I273 HydrophobicContact CB-CD1 4.08Å; L235-I273 HydrophobicContact CD1-CG2 4.35Å; L235-I273 HydrophobicContact CD2-CG2 4.16Å; L235-A277 HydrophobicContact CD1-CB 3.82Å; L235-A277 HydrophobicContact CD2-CB 4.28Å; L235-V281 HydrophobicContact CD1-CG2 4.2Å; L235-W303 HydrophobicContact CD2-CZ2 4.08Å; L235-L314 HydrophobicContact CD2-CD1 4.07Å; L235-L314 HydrophobicContact CD2-CD2 3.86Å; L235-P315 WeakPolarHBondContact O-CD 3.48Å |
| 236 | C | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -116 | -10.7 | -171 | 77.2 | 0 | 0 | 0 | 0 | 116 | Y232 Y238 E269 W270 L319 | Y232-C236 VanDerWaalsContact CD1-SG 3.59Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.46Å; Y232-C236 PolarHBondContact O-N 3.18Å; Y232-C236 PolarHBondContact O-SG 2.62Å; Y232-C236 VanDerWaalsContact O-SG 3.33Å; C236-Y238 HydrophobicContact CB-CD1 4.19Å; C236-Y238 HydrophobicContact CB-CE1 3.73Å; C236-Y238 WeakPolarHBondContact O-CD1 3.43Å; C236-Y238 VanDerWaalsContact SG-CD1 3.54Å; C236-Y238 WeakPolarHBondContact SG-CE1 3.36Å; C236-Y238 VanDerWaalsContact SG-CZ 3.55Å; C236-Y238 PolarHBondContact SG-O 3.44Å; C236-E269 HydrophobicContact CB-CB 4.22Å; C236-W270 HydrophobicContact CB-CD2 4.39Å; C236-W270 VanDerWaalsContact CB-CE2 3.47Å; C236-W270 HydrophobicContact CB-CZ2 3.61Å; C236-W270 VanDerWaalsContact CB-NE1 3.28Å; C236-L319 WeakPolarHBondContact O-CD1 3.37Å |
| 237 | G | 87.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 89.1 | 2.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V233 I329 | V233-G237 VanDerWaalsContact O-CA 3.29Å; V233-G237 WeakPolarHBondContact O-CA 3.33Å; V233-G237 PolarHBondContact O-N 3.35Å; G237-I329 WeakPolarHBondContact O-CD1 3.34Å |
| 238 | Y | 83.3 | Confident | 75.7 | Confident | 52 Ų | 52 | 48 Ų | 48 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -142.3 | 159.6 | 179.8 | 57 | -93.8 | 0 | 0 | 0 | 111.5 | Y232 V233 C236 P266 E269 W270 L319 | Y232-Y238 WeakPolarHBondContact CD1-O 3.09Å; Y232-Y238 AromaticContact CE1-CD2 3.86Å; Y232-Y238 HydrophobicContact CE1-CD2 3.86Å; Y232-Y238 AromaticContact CE1-CE2 3.78Å; Y232-Y238 HydrophobicContact CE1-CE2 3.78Å; Y232-Y238 VanDerWaalsContact CE1-O 3.25Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.39Å; Y232-Y238 AromaticContact CZ-CE2 3.96Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.38Å; V233-Y238 WeakPolarHBondContact CG2-O 3.17Å; C236-Y238 HydrophobicContact CB-CD1 4.19Å; C236-Y238 HydrophobicContact CB-CE1 3.73Å; C236-Y238 WeakPolarHBondContact O-CD1 3.43Å; C236-Y238 VanDerWaalsContact SG-CD1 3.54Å; C236-Y238 WeakPolarHBondContact SG-CE1 3.36Å; C236-Y238 VanDerWaalsContact SG-CZ 3.55Å; C236-Y238 PolarHBondContact SG-O 3.44Å; Y238-P266 VanDerWaalsContact OH-CD 3.24Å; Y238-P266 WeakPolarHBondContact OH-CD 3.28Å; Y238-P266 VanDerWaalsContact OH-CG 3.23Å; Y238-P266 WeakPolarHBondContact OH-CG 3.32Å; Y238-E269 HydrophobicContact CE1-CB 4.18Å; Y238-E269 HydrophobicContact CE1-CG 3.84Å; Y238-E269 WeakPolarHBondContact CE1-OE2 3.44Å; Y238-E269 PolarHBondContact OH-OE2 3.18Å; Y238-W270 AromaticContact CZ-NE1 3.88Å; Y238-W270 PolarHBondContact OH-NE1 3.38Å; Y238-L319 HydrophobicContact CD1-CD1 4.41Å |
| 239 | P | 83.6 | Confident | 73.2 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | trans | -78.3 | 148.2 | -175.8 | 31.5 | -29.3 | 0 | 0 | 0 | 111.3 | V233 F241 Y242 | V233-P239 HydrophobicContact CG2-CB 4.32Å; P239-F241 PolarHBondContact O-N 3.05Å; P239-F241 VanDerWaalsContact O-N 3.17Å; P239-Y242 HydrophobicContact CG-CD2 4.2Å | ||
| 240 | P | 79.6 | Confident | 71.3 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -64.1 | -23.5 | -178.1 | 21.2 | -29.4 | 0 | 0 | 0 | 113.5 | V229 Y232 F263 L285 | V229-P240 HydrophobicContact CG1-CG 4.33Å; V229-P240 HydrophobicContact CG2-CG 4.2Å; Y232-P240 HydrophobicContact CD1-CB 3.86Å; Y232-P240 HydrophobicContact CD1-CG 4.12Å; Y232-P240 HydrophobicContact CD2-CB 3.73Å; Y232-P240 HydrophobicContact CD2-CG 4.41Å; Y232-P240 HydrophobicContact CE1-CB 3.99Å; Y232-P240 HydrophobicContact CE2-CB 3.89Å; Y232-P240 HydrophobicContact CG-CB 3.76Å; Y232-P240 HydrophobicContact CG-CG 4.01Å; P240-F263 HydrophobicContact CB-CB 3.93Å; P240-F263 HydrophobicContact CB-CD2 4.41Å; P240-F263 HydrophobicContact CB-CG 4.2Å; P240-F263 WeakPolarHBondContact O-CB 3.36Å; P240-L285 HydrophobicContact CB-CD1 4.14Å; P240-L285 HydrophobicContact CG-CD1 4.04Å |
| 241 | F | 74.4 | Confident | 69.7 | Low | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -117.6 | 74.6 | -177.7 | -48 | -71.6 | 0 | 0 | 0 | 109.9 | W225 V229 P239 M254 K257 I258 F263 L285 | W225-F241 HydrophobicContact CH2-CE2 4.22Å; W225-F241 AromaticContact CH2-CZ 3.81Å; W225-F241 HydrophobicContact CH2-CZ 3.81Å; W225-F241 HydrophobicContact CZ2-CD2 4.47Å; W225-F241 AromaticContact CZ2-CE2 3.46Å; W225-F241 HydrophobicContact CZ2-CE2 3.46Å; W225-F241 VanDerWaalsContact CZ2-CE2 3.46Å; W225-F241 AromaticContact CZ2-CZ 3.53Å; W225-F241 HydrophobicContact CZ2-CZ 3.53Å; V229-F241 HydrophobicContact CG2-CE2 4.42Å; P239-F241 PolarHBondContact O-N 3.05Å; P239-F241 VanDerWaalsContact O-N 3.17Å; F241-M254 HydrophobicContact CB-CG 4.33Å; F241-M254 WeakPolarHBondContact O-CE 3.24Å; F241-M254 WeakPolarHBondContact O-CG 3.48Å; F241-K257 HydrophobicContact CD1-CB 4.06Å; F241-I258 HydrophobicContact CB-CD1 4.37Å; F241-I258 HydrophobicContact CB-CG1 3.8Å; F241-I258 HydrophobicContact CD1-CG1 4.06Å; F241-I258 HydrophobicContact CD2-CG1 3.87Å; F241-I258 HydrophobicContact CG-CG1 3.62Å; F241-F263 HydrophobicContact CD1-CB 4.33Å; F241-F263 HydrophobicContact CE1-CB 3.96Å; F241-F263 HydrophobicContact CE1-CD1 4.06Å; F241-F263 HydrophobicContact CE1-CG 4.42Å; F241-F263 HydrophobicContact CZ-CD1 4.12Å; F241-L285 HydrophobicContact CZ-CD1 4.44Å |
| 242 | Y | 63.6 | Low | 67.8 | Low | 108 Ų | 108 | 64.3 Ų | 64.3 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | trans | -99.4 | 147.1 | 175.6 | -168.3 | -103 | 0 | 0 | 0 | 112.4 | P239 H246 K257 | P239-Y242 HydrophobicContact CG-CD2 4.2Å; Y242-H246 PolarHBondContact OH-CE1 3.02Å; Y242-H246 PolarHBondContact OH-NE2 3.27Å; Y242-K257 PolarHBondContact O-NZ 3.25Å; Y242-K257 VanDerWaalsContact O-NZ 3.16Å | ||
| 243 | S | 54.8 | Low | 66.2 | Low | 13 Ų | 13 | 67.5 Ų | 67.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -115.9 | 131.9 | 170 | 164.7 | 0 | 0 | 0 | 0 | 109 | H245 P251 | S243-H245 PolarHBondContact O-N 2.87Å; S243-H245 PolarHBondContact OG-N 2.93Å; S243-H245 PolarHBondContact OG-O 3.32Å; S243-P251 WeakPolarHBondContact OG-CB 3.23Å; S243-P251 WeakPolarHBondContact OG-CG 3.45Å | ||
| 244 | K | 50.3 | Low | 64.8 | Low | 192 Ų | 192 | 68 Ų | 68 | 84% | 0.835 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -60.8 | -16.8 | 176.2 | -66.4 | -175.5 | 177.2 | -176.7 | 0 | 113.3 | ||
| 245 | H | 48.2 | Very low | 63.2 | Low | 138 Ų | 138 | 75.6 Ų | 75.6 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -98.9 | 113.6 | 176.9 | -61.6 | -65.8 | 0 | 0 | 0 | 111.2 | S243 S247 P251 | S243-H245 PolarHBondContact O-N 2.87Å; S243-H245 PolarHBondContact OG-N 2.93Å; S243-H245 PolarHBondContact OG-O 3.32Å; H245-S247 PolarHBondContact O-N 3.28Å; H245-P251 WeakPolarHBondContact O-CG 3.46Å |
| 246 | H | 44.2 | Very low | 61.8 | Low | 168 Ų | 168 | 82.4 Ų | 82.4 | 78% | 0.778 | 37% | 0.372 | S | S | * | . | trans | -71.1 | 108.5 | 168.9 | -69.1 | 76 | 0 | 0 | 0 | 108.9 | Y242 | Y242-H246 PolarHBondContact OH-CE1 3.02Å; Y242-H246 PolarHBondContact OH-NE2 3.27Å | ||
| 247 | S | 43 | Very low | 60.7 | Low | 65 Ų | 65 | 86.3 Ų | 86.3 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | trans | -124.2 | 149.9 | 172 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | H245 T249 | H245-S247 PolarHBondContact O-N 3.28Å; S247-T249 VanDerWaalsContact CB-O 3.25Å; S247-T249 WeakPolarHBondContact CB-O 3.49Å; S247-T249 PolarHBondContact O-N 2.91Å; S247-T249 VanDerWaalsContact O-N 3.09Å; S247-T249 PolarHBondContact OG-N 2.78Å; S247-T249 PolarHBondContact OG-O 3.48Å; S247-T249 VanDerWaalsContact OG-O 3.11Å; S247-T249 PolarHBondContact OG-OG1 3.24Å | ||
| 248 | R | 41.8 | Very low | 59.6 | Low | 242 Ų | 242 | 87.5 Ų | 87.5 | 91% | 0.913 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -66.3 | -4.9 | 173.3 | -62.2 | -171.9 | -166 | 130.4 | 1.5 | 113.4 | ||
| 249 | T | 43.9 | Very low | 58.6 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -130.1 | 142.9 | 175 | 54.4 | 0 | 0 | 0 | 0 | 108.5 | S247 P251 | S247-T249 VanDerWaalsContact CB-O 3.25Å; S247-T249 WeakPolarHBondContact CB-O 3.49Å; S247-T249 PolarHBondContact O-N 2.91Å; S247-T249 VanDerWaalsContact O-N 3.09Å; S247-T249 PolarHBondContact OG-N 2.78Å; S247-T249 PolarHBondContact OG-O 3.48Å; S247-T249 VanDerWaalsContact OG-O 3.11Å; S247-T249 PolarHBondContact OG-OG1 3.24Å; T249-P251 WeakPolarHBondContact O-CD 3.34Å |
| 250 | I | 49.8 | Very low | 57.8 | Low | 33 Ų | 33 | 94.2 Ų | 94.2 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | trans | -46.6 | 115.2 | 174.6 | -62.3 | -173.5 | 0 | 0 | 0 | 109.3 | K252 M254 R255 E335 N339 | I250-K252 PolarHBondContact O-N 3.32Å; I250-M254 HydrophobicContact CD1-CE 4.44Å; I250-M254 HydrophobicContact CG2-CB 3.69Å; I250-M254 HydrophobicContact CG2-CE 4.47Å; I250-M254 HydrophobicContact CG2-CG 3.74Å; I250-M254 HydrophobicContact CG2-SD 3.87Å; I250-R255 HydrophobicContact CG2-CB 4.05Å; I250-E335 HydrophobicContact CD1-CB 4.09Å; I250-E335 HydrophobicContact CG1-CB 4.21Å; I250-E335 WeakPolarHBondContact CG1-OE2 3.46Å; I250-N339 WeakPolarHBondContact CD1-ND2 3.25Å | ||
| 251 | P | 58.4 | Low | 57.2 | Low | 24 Ų | 24 | 94.6 Ų | 94.6 | 16% | 0.156 | 44% | 0.44 | C | S | . | . | trans | -56 | 141.5 | 176.2 | -28.2 | 38.5 | 0 | 0 | 0 | 109.7 | S243 H245 T249 D253 M254 R255 | S243-P251 WeakPolarHBondContact OG-CB 3.23Å; S243-P251 WeakPolarHBondContact OG-CG 3.45Å; H245-P251 WeakPolarHBondContact O-CG 3.46Å; T249-P251 WeakPolarHBondContact O-CD 3.34Å; P251-D253 PolarHBondContact O-N 2.95Å; P251-M254 PolarHBondContact O-N 2.75Å; P251-R255 PolarHBondContact O-N 3.13Å | ||
| 252 | K | 56.9 | Low | 57.2 | Low | 188 Ų | 188 | 97.2 Ų | 97.2 | 82% | 0.817 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -49.4 | -32.7 | -178.6 | -71.9 | -177.9 | 178.6 | 177.7 | 0 | 112.3 | I250 R256 | I250-K252 PolarHBondContact O-N 3.32Å; K252-R256 WeakPolarHBondContact O-CB 3.33Å; K252-R256 PolarHBondContact O-N 2.91Å |
| 253 | D | 59.6 | Low | 58.2 | Low | 72 Ų | 72 | 93.9 Ų | 93.9 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.6 | -63.9 | -33.6 | 0 | 0 | 0 | 113.8 | P251 R256 K257 | P251-D253 PolarHBondContact O-N 2.95Å; D253-R256 WeakPolarHBondContact O-CB 3.47Å; D253-R256 PolarHBondContact O-N 2.54Å; D253-R256 IonicContact OD1-CZ 3.88Å; D253-R256 IonicContact OD1-NE 3.95Å; D253-R256 IonicContact OD1-NH2 3.72Å; D253-R256 PolarHBondContact OD1-NH2 3.26Å; D253-K257 WeakPolarHBondContact O-CG 3.07Å; D253-K257 PolarHBondContact O-N 3.1Å |
| 254 | M | 60.9 | Low | 59.7 | Low | 13 Ų | 13 | 100.1 Ų | 100.1 | 6% | 0.064 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 176.5 | 178 | -179.4 | 165 | 0 | 0 | 110.8 | F241 I250 P251 R256 K257 I258 A332 | F241-M254 HydrophobicContact CB-CG 4.33Å; F241-M254 WeakPolarHBondContact O-CE 3.24Å; F241-M254 WeakPolarHBondContact O-CG 3.48Å; I250-M254 HydrophobicContact CD1-CE 4.44Å; I250-M254 HydrophobicContact CG2-CB 3.69Å; I250-M254 HydrophobicContact CG2-CE 4.47Å; I250-M254 HydrophobicContact CG2-CG 3.74Å; I250-M254 HydrophobicContact CG2-SD 3.87Å; P251-M254 PolarHBondContact O-N 2.75Å; M254-R256 VanDerWaalsContact C-N 3.31Å; M254-R256 PolarHBondContact O-N 3.31Å; M254-K257 PolarHBondContact O-N 3.42Å; M254-I258 HydrophobicContact CE-CD1 4.18Å; M254-I258 HydrophobicContact CG-CD1 4.14Å; M254-I258 WeakPolarHBondContact O-CG1 3.19Å; M254-I258 PolarHBondContact O-N 3.29Å; M254-A332 HydrophobicContact CE-CB 4.41Å |
| 255 | R | 60.1 | Low | 61.7 | Low | 160 Ų | 160 | 93.4 Ų | 93.4 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.3 | -42.8 | 173.3 | -173.9 | 179.4 | 175.5 | 178.5 | 1 | 111.3 | I250 P251 I258 M259 | I250-R255 HydrophobicContact CG2-CB 4.05Å; P251-R255 PolarHBondContact O-N 3.13Å; R255-I258 PolarHBondContact O-N 3.46Å; R255-M259 HydrophobicContact CG-CE 4.05Å; R255-M259 HydrophobicContact CG-CG 4.48Å; R255-M259 HydrophobicContact CG-SD 4.16Å; R255-M259 WeakPolarHBondContact O-CB 3.49Å; R255-M259 VanDerWaalsContact O-CG 3.27Å; R255-M259 WeakPolarHBondContact O-CG 3.24Å; R255-M259 PolarHBondContact O-N 2.88Å |
| 256 | R | 63.7 | Low | 63.6 | Low | 143 Ų | 143 | 89.2 Ų | 89.2 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175 | 175.5 | 170.3 | 54.7 | 166.3 | -2.2 | 111.3 | K252 D253 M254 I258 M259 T260 | K252-R256 WeakPolarHBondContact O-CB 3.33Å; K252-R256 PolarHBondContact O-N 2.91Å; D253-R256 WeakPolarHBondContact O-CB 3.47Å; D253-R256 PolarHBondContact O-N 2.54Å; D253-R256 IonicContact OD1-CZ 3.88Å; D253-R256 IonicContact OD1-NE 3.95Å; D253-R256 IonicContact OD1-NH2 3.72Å; D253-R256 PolarHBondContact OD1-NH2 3.26Å; M254-R256 VanDerWaalsContact C-N 3.31Å; M254-R256 PolarHBondContact O-N 3.31Å; R256-I258 VanDerWaalsContact C-N 3.31Å; R256-I258 PolarHBondContact O-N 3.45Å; R256-M259 PolarHBondContact O-N 3.32Å; R256-M259 VanDerWaalsContact O-N 3.14Å; R256-T260 HydrophobicContact CG-CG2 4.34Å; R256-T260 WeakPolarHBondContact O-CG2 3.34Å; R256-T260 PolarHBondContact O-N 2.95Å; R256-T260 PolarHBondContact O-OG1 3.46Å |
| 257 | K | 66.4 | Low | 65.7 | Low | 82 Ų | 82 | 89.1 Ų | 89.1 | 36% | 0.357 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 177.4 | -74.7 | -178.8 | 178.9 | -173 | 0 | 112.8 | F241 Y242 D253 M254 T260 G261 S262 | F241-K257 HydrophobicContact CD1-CB 4.06Å; Y242-K257 PolarHBondContact O-NZ 3.25Å; Y242-K257 VanDerWaalsContact O-NZ 3.16Å; D253-K257 WeakPolarHBondContact O-CG 3.07Å; D253-K257 PolarHBondContact O-N 3.1Å; M254-K257 PolarHBondContact O-N 3.42Å; K257-T260 PolarHBondContact O-N 2.88Å; K257-T260 PolarHBondContact O-OG1 3.29Å; K257-G261 CarbonylContact O-C 3.55Å; K257-G261 WeakPolarHBondContact O-CA 3.3Å; K257-G261 PolarHBondContact O-N 3.46Å; K257-S262 PolarHBondContact O-N 2.84Å |
| 258 | I | 65.8 | Low | 67.8 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 14% | 0.138 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 175.2 | -66.9 | 164 | 0 | 0 | 0 | 110.6 | W225 F241 M254 R255 R256 T260 G261 Q336 | W225-I258 HydrophobicContact CZ2-CG2 4.16Å; F241-I258 HydrophobicContact CB-CD1 4.37Å; F241-I258 HydrophobicContact CB-CG1 3.8Å; F241-I258 HydrophobicContact CD1-CG1 4.06Å; F241-I258 HydrophobicContact CD2-CG1 3.87Å; F241-I258 HydrophobicContact CG-CG1 3.62Å; M254-I258 HydrophobicContact CE-CD1 4.18Å; M254-I258 HydrophobicContact CG-CD1 4.14Å; M254-I258 WeakPolarHBondContact O-CG1 3.19Å; M254-I258 PolarHBondContact O-N 3.29Å; R255-I258 PolarHBondContact O-N 3.46Å; R256-I258 VanDerWaalsContact C-N 3.31Å; R256-I258 PolarHBondContact O-N 3.45Å; I258-T260 VanDerWaalsContact C-N 3.29Å; I258-T260 PolarHBondContact O-N 2.99Å; I258-G261 PolarHBondContact O-N 3.11Å; I258-Q336 HydrophobicContact CD1-CG 4.06Å |
| 259 | M | 62.7 | Low | 69.9 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.8 | -29.2 | -179.4 | -69.7 | -175.2 | -49.6 | 0 | 0 | 113.1 | R255 R256 V287 | R255-M259 HydrophobicContact CG-CE 4.05Å; R255-M259 HydrophobicContact CG-CG 4.48Å; R255-M259 HydrophobicContact CG-SD 4.16Å; R255-M259 WeakPolarHBondContact O-CB 3.49Å; R255-M259 VanDerWaalsContact O-CG 3.27Å; R255-M259 WeakPolarHBondContact O-CG 3.24Å; R255-M259 PolarHBondContact O-N 2.88Å; R256-M259 PolarHBondContact O-N 3.32Å; R256-M259 VanDerWaalsContact O-N 3.14Å; M259-V287 WeakPolarHBondContact O-CG1 3.25Å |
| 260 | T | 66.2 | Low | 72.3 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -93.3 | -6.7 | 176.3 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | R256 K257 I258 S262 V287 | R256-T260 HydrophobicContact CG-CG2 4.34Å; R256-T260 WeakPolarHBondContact O-CG2 3.34Å; R256-T260 PolarHBondContact O-N 2.95Å; R256-T260 PolarHBondContact O-OG1 3.46Å; K257-T260 PolarHBondContact O-N 2.88Å; K257-T260 PolarHBondContact O-OG1 3.29Å; I258-T260 VanDerWaalsContact C-N 3.29Å; I258-T260 PolarHBondContact O-N 2.99Å; T260-S262 PolarHBondContact O-N 3.18Å; T260-S262 VanDerWaalsContact OG1-CB 3.31Å; T260-S262 WeakPolarHBondContact OG1-CB 3.25Å; T260-V287 VanDerWaalsContact C-CG2 3.41Å |
| 261 | G | 65.9 | Low | 74.2 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 26.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K257 I258 F263 | K257-G261 CarbonylContact O-C 3.55Å; K257-G261 WeakPolarHBondContact O-CA 3.3Å; K257-G261 PolarHBondContact O-N 3.46Å; I258-G261 PolarHBondContact O-N 3.11Å; G261-F263 WeakPolarHBondContact O-CD1 3.36Å; G261-F263 PolarHBondContact O-N 3.2Å |
| 262 | S | 75.9 | Confident | 75.6 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | trans | -86.6 | 100.5 | -177.3 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | K257 T260 | K257-S262 PolarHBondContact O-N 2.84Å; T260-S262 PolarHBondContact O-N 3.18Å; T260-S262 VanDerWaalsContact OG1-CB 3.31Å; T260-S262 WeakPolarHBondContact OG1-CB 3.25Å | ||
| 263 | F | 83.8 | Confident | 77.3 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 17% | 0.167 | 38% | 0.384 | C | S | . | . | trans | -134.1 | 160.8 | 168.5 | 67.9 | -84 | 0 | 0 | 0 | 108.5 | Y232 P240 F241 G261 F265 V281 R282 L285 | Y232-F263 HydrophobicContact CD2-CD2 4.18Å; Y232-F263 HydrophobicContact CD2-CE2 4.39Å; Y232-F263 AromaticContact CE2-CD2 3.85Å; Y232-F263 HydrophobicContact CE2-CD2 3.85Å; Y232-F263 HydrophobicContact CE2-CE2 4.38Å; P240-F263 HydrophobicContact CB-CB 3.93Å; P240-F263 HydrophobicContact CB-CD2 4.41Å; P240-F263 HydrophobicContact CB-CG 4.2Å; P240-F263 WeakPolarHBondContact O-CB 3.36Å; F241-F263 HydrophobicContact CD1-CB 4.33Å; F241-F263 HydrophobicContact CE1-CB 3.96Å; F241-F263 HydrophobicContact CE1-CD1 4.06Å; F241-F263 HydrophobicContact CE1-CG 4.42Å; F241-F263 HydrophobicContact CZ-CD1 4.12Å; G261-F263 WeakPolarHBondContact O-CD1 3.36Å; G261-F263 PolarHBondContact O-N 3.2Å; F263-F265 HydrophobicContact CD2-CE1 4.4Å; F263-F265 HydrophobicContact CD2-CZ 4.42Å; F263-F265 AromaticContact CE2-CE1 3.86Å; F263-F265 HydrophobicContact CE2-CE1 3.86Å; F263-F265 HydrophobicContact CE2-CE2 4.15Å; F263-F265 AromaticContact CE2-CZ 3.57Å; F263-F265 HydrophobicContact CE2-CZ 3.57Å; F263-F265 HydrophobicContact CZ-CZ 4.41Å; F263-V281 HydrophobicContact CE2-CG1 3.93Å; F263-V281 HydrophobicContact CZ-CG1 4.18Å; F263-R282 HydrophobicContact CZ-CG 4.31Å; F263-L285 HydrophobicContact CD1-CB 4.28Å; F263-L285 HydrophobicContact CD1-CD1 4.17Å; F263-L285 HydrophobicContact CD2-CD1 4.48Å; F263-L285 HydrophobicContact CE1-CB 3.47Å; F263-L285 VanDerWaalsContact CE1-CB 3.47Å; F263-L285 HydrophobicContact CE1-CD1 3.87Å; F263-L285 HydrophobicContact CE1-CG 4.31Å; F263-L285 HydrophobicContact CE2-CD1 4.17Å; F263-L285 HydrophobicContact CG-CD1 4.47Å; F263-L285 HydrophobicContact CZ-CB 3.83Å; F263-L285 HydrophobicContact CZ-CD1 3.85Å; F263-L285 HydrophobicContact CZ-CG 4.4Å | ||
| 264 | E | 87.3 | Confident | 78.9 | Confident | 145 Ų | 145 | 75.9 Ų | 75.9 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | trans | -128.2 | 169.4 | -175 | -68.1 | 172.9 | -174.4 | 0 | 0 | 109.5 | Y232 P266 | Y232-E264 PolarHBondContact OH-O 2.63Å; E264-P266 WeakPolarHBondContact O-CD 3.45Å | ||
| 265 | F | 91.3 | Very high | 80.5 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | trans | -117.7 | 83.5 | 171.9 | -59.7 | -66 | 0 | 0 | 0 | 108.8 | Y232 F263 E267 W270 K278 V281 R282 | Y232-F265 HydrophobicContact CD2-CE1 4.08Å; Y232-F265 AromaticContact CE2-CD1 3.92Å; Y232-F265 HydrophobicContact CE2-CD1 3.92Å; Y232-F265 AromaticContact CE2-CE1 3.91Å; Y232-F265 HydrophobicContact CE2-CE1 3.91Å; F263-F265 HydrophobicContact CD2-CE1 4.4Å; F263-F265 HydrophobicContact CD2-CZ 4.42Å; F263-F265 AromaticContact CE2-CE1 3.86Å; F263-F265 HydrophobicContact CE2-CE1 3.86Å; F263-F265 HydrophobicContact CE2-CE2 4.15Å; F263-F265 AromaticContact CE2-CZ 3.57Å; F263-F265 HydrophobicContact CE2-CZ 3.57Å; F263-F265 HydrophobicContact CZ-CZ 4.41Å; F265-E267 PolarHBondContact O-N 3.29Å; F265-W270 HydrophobicContact CB-CB 3.93Å; F265-W270 HydrophobicContact CB-CD2 3.95Å; F265-W270 HydrophobicContact CB-CE3 4.34Å; F265-W270 HydrophobicContact CB-CG 3.76Å; F265-W270 AromaticContact CD1-CD2 3.51Å; F265-W270 HydrophobicContact CD1-CD2 3.51Å; F265-W270 AromaticContact CD1-CE2 3.64Å; F265-W270 AromaticContact CD1-CE3 3.46Å; F265-W270 HydrophobicContact CD1-CE3 3.46Å; F265-W270 VanDerWaalsContact CD1-CE3 3.46Å; F265-W270 HydrophobicContact CD1-CG 4.23Å; F265-W270 AromaticContact CD1-CH2 3.71Å; F265-W270 HydrophobicContact CD1-CH2 3.71Å; F265-W270 AromaticContact CD1-CZ2 3.76Å; F265-W270 HydrophobicContact CD1-CZ2 3.76Å; F265-W270 AromaticContact CD1-CZ3 3.55Å; F265-W270 HydrophobicContact CD1-CZ3 3.55Å; F265-W270 HydrophobicContact CE1-CD2 4.41Å; F265-W270 HydrophobicContact CE1-CE3 4.02Å; F265-W270 AromaticContact CE1-CH2 3.67Å; F265-W270 HydrophobicContact CE1-CH2 3.67Å; F265-W270 HydrophobicContact CE1-CZ2 4.09Å; F265-W270 AromaticContact CE1-CZ3 3.62Å; F265-W270 HydrophobicContact CE1-CZ3 3.62Å; F265-W270 HydrophobicContact CG-CD2 4.15Å; F265-W270 HydrophobicContact CG-CE3 4.18Å; F265-W270 HydrophobicContact CG-CG 4.48Å; F265-K278 HydrophobicContact CD1-CG 4.24Å; F265-K278 HydrophobicContact CD2-CB 4.43Å; F265-K278 HydrophobicContact CD2-CD 4.42Å; F265-K278 HydrophobicContact CD2-CG 4.3Å; F265-K278 HydrophobicContact CE1-CB 4.37Å; F265-K278 HydrophobicContact CE1-CG 4.21Å; F265-K278 HydrophobicContact CE2-CB 3.98Å; F265-K278 HydrophobicContact CE2-CG 4.29Å; F265-K278 HydrophobicContact CG-CD 4.44Å; F265-K278 HydrophobicContact CG-CG 4.25Å; F265-K278 HydrophobicContact CZ-CB 3.92Å; F265-K278 HydrophobicContact CZ-CG 4.21Å; F265-V281 HydrophobicContact CE1-CB 4.48Å; F265-V281 HydrophobicContact CE1-CG1 4.09Å; F265-V281 HydrophobicContact CZ-CB 4.39Å; F265-V281 HydrophobicContact CZ-CG1 4.17Å; F265-R282 HydrophobicContact CE2-CG 3.69Å; F265-R282 HydrophobicContact CZ-CG 3.85Å | ||
| 266 | P | 88.1 | Confident | 82.1 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | trans | -53.8 | 130.6 | -178.5 | -28 | 35.4 | 0 | 0 | 0 | 112.5 | Y238 E264 E268 E269 W270 | Y238-P266 VanDerWaalsContact OH-CD 3.24Å; Y238-P266 WeakPolarHBondContact OH-CD 3.28Å; Y238-P266 VanDerWaalsContact OH-CG 3.23Å; Y238-P266 WeakPolarHBondContact OH-CG 3.32Å; E264-P266 WeakPolarHBondContact O-CD 3.45Å; P266-E268 PolarHBondContact O-N 3.43Å; P266-E268 VanDerWaalsContact O-N 3.16Å; P266-E269 PolarHBondContact O-N 3.43Å; P266-W270 VanDerWaalsContact O-CB 3.25Å; P266-W270 WeakPolarHBondContact O-CB 3.49Å; P266-W270 PolarHBondContact O-N 3.32Å | ||
| 267 | E | 88.3 | Confident | 83.6 | Confident | 166 Ų | 166 | 69 Ų | 69 | 78% | 0.776 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.7 | -29.7 | -174.3 | -70.2 | -173 | 162.9 | 0 | 0 | 113.4 | F265 E269 S271 | F265-E267 PolarHBondContact O-N 3.29Å; E267-E269 PolarHBondContact O-N 2.75Å; E267-S271 WeakPolarHBondContact O-CB 3.46Å; E267-S271 PolarHBondContact O-N 3.37Å; E267-S271 VanDerWaalsContact O-N 3.08Å; E267-S271 PolarHBondContact O-OG 2.97Å; E267-S271 VanDerWaalsContact O-OG 3.06Å |
| 268 | E | 87.1 | Confident | 85 | Confident | 171 Ų | 171 | 66.5 Ų | 66.5 | 80% | 0.799 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -53.7 | -49.6 | 179.4 | -175.3 | 171.3 | -176.2 | 0 | 0 | 112 | P266 | P266-E268 PolarHBondContact O-N 3.43Å; P266-E268 VanDerWaalsContact O-N 3.16Å |
| 269 | E | 87.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -99 | -26 | 179.1 | -56.9 | 87.4 | -173.6 | 0 | 0 | 113.7 | C236 Y238 P266 E267 I273 P315 L319 | C236-E269 HydrophobicContact CB-CB 4.22Å; Y238-E269 HydrophobicContact CE1-CB 4.18Å; Y238-E269 HydrophobicContact CE1-CG 3.84Å; Y238-E269 WeakPolarHBondContact CE1-OE2 3.44Å; Y238-E269 PolarHBondContact OH-OE2 3.18Å; P266-E269 PolarHBondContact O-N 3.43Å; E267-E269 PolarHBondContact O-N 2.75Å; E269-I273 WeakPolarHBondContact O-CD1 3.48Å; E269-P315 HydrophobicContact CB-CB 4.4Å; E269-P315 HydrophobicContact CB-CG 3.78Å; E269-P315 HydrophobicContact CG-CB 4.47Å; E269-P315 HydrophobicContact CG-CG 4.34Å; E269-L319 HydrophobicContact CG-CD1 4.06Å |
| 270 | W | 92.3 | Very high | 88 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -98.9 | -3.1 | -170.2 | -69.6 | 83.3 | 0 | 0 | 0 | 114.9 | Y232 L235 C236 Y238 F265 P266 Q272 I273 K278 | Y232-W270 HydrophobicContact CD1-CZ2 4.04Å; Y232-W270 AromaticContact CD2-CH2 3.84Å; Y232-W270 HydrophobicContact CD2-CH2 3.84Å; Y232-W270 AromaticContact CD2-CZ2 3.56Å; Y232-W270 HydrophobicContact CD2-CZ2 3.56Å; Y232-W270 AromaticContact CE1-CZ2 3.9Å; Y232-W270 HydrophobicContact CE1-CZ2 3.9Å; Y232-W270 HydrophobicContact CE2-CH2 4.04Å; Y232-W270 AromaticContact CE2-CZ2 3.38Å; Y232-W270 HydrophobicContact CE2-CZ2 3.38Å; Y232-W270 HydrophobicContact CG-CH2 4.19Å; Y232-W270 AromaticContact CG-CZ2 3.85Å; Y232-W270 HydrophobicContact CG-CZ2 3.85Å; Y232-W270 AromaticContact CZ-CE2 3.97Å; Y232-W270 AromaticContact CZ-CZ2 3.54Å; Y232-W270 AromaticContact CZ-NE1 3.92Å; L235-W270 HydrophobicContact CB-CH2 3.84Å; L235-W270 HydrophobicContact CB-CZ2 4.42Å; L235-W270 HydrophobicContact CB-CZ3 4.18Å; L235-W270 HydrophobicContact CD1-CH2 3.85Å; L235-W270 HydrophobicContact CD1-CZ3 3.84Å; C236-W270 HydrophobicContact CB-CD2 4.39Å; C236-W270 VanDerWaalsContact CB-CE2 3.47Å; C236-W270 HydrophobicContact CB-CZ2 3.61Å; C236-W270 VanDerWaalsContact CB-NE1 3.28Å; Y238-W270 AromaticContact CZ-NE1 3.88Å; Y238-W270 PolarHBondContact OH-NE1 3.38Å; F265-W270 HydrophobicContact CB-CB 3.93Å; F265-W270 HydrophobicContact CB-CD2 3.95Å; F265-W270 HydrophobicContact CB-CE3 4.34Å; F265-W270 HydrophobicContact CB-CG 3.76Å; F265-W270 AromaticContact CD1-CD2 3.51Å; F265-W270 HydrophobicContact CD1-CD2 3.51Å; F265-W270 AromaticContact CD1-CE2 3.64Å; F265-W270 AromaticContact CD1-CE3 3.46Å; F265-W270 HydrophobicContact CD1-CE3 3.46Å; F265-W270 VanDerWaalsContact CD1-CE3 3.46Å; F265-W270 HydrophobicContact CD1-CG 4.23Å; F265-W270 AromaticContact CD1-CH2 3.71Å; F265-W270 HydrophobicContact CD1-CH2 3.71Å; F265-W270 AromaticContact CD1-CZ2 3.76Å; F265-W270 HydrophobicContact CD1-CZ2 3.76Å; F265-W270 AromaticContact CD1-CZ3 3.55Å; F265-W270 HydrophobicContact CD1-CZ3 3.55Å; F265-W270 HydrophobicContact CE1-CD2 4.41Å; F265-W270 HydrophobicContact CE1-CE3 4.02Å; F265-W270 AromaticContact CE1-CH2 3.67Å; F265-W270 HydrophobicContact CE1-CH2 3.67Å; F265-W270 HydrophobicContact CE1-CZ2 4.09Å; F265-W270 AromaticContact CE1-CZ3 3.62Å; F265-W270 HydrophobicContact CE1-CZ3 3.62Å; F265-W270 HydrophobicContact CG-CD2 4.15Å; F265-W270 HydrophobicContact CG-CE3 4.18Å; F265-W270 HydrophobicContact CG-CG 4.48Å; P266-W270 VanDerWaalsContact O-CB 3.25Å; P266-W270 WeakPolarHBondContact O-CB 3.49Å; P266-W270 PolarHBondContact O-N 3.32Å; W270-Q272 VanDerWaalsContact C-N 3.29Å; W270-Q272 PolarHBondContact O-N 3.39Å; W270-I273 HydrophobicContact CD2-CD1 3.91Å; W270-I273 HydrophobicContact CE3-CB 3.99Å; W270-I273 HydrophobicContact CE3-CD1 3.75Å; W270-I273 HydrophobicContact CE3-CG1 4.44Å; W270-I273 HydrophobicContact CE3-CG2 3.82Å; W270-I273 HydrophobicContact CG-CD1 4.32Å; W270-I273 HydrophobicContact CZ3-CD1 4.22Å; W270-I273 HydrophobicContact CZ3-CG2 3.91Å; W270-I273 PolarHBondContact O-N 3.31Å; W270-K278 HydrophobicContact CE3-CD 4.42Å; W270-K278 HydrophobicContact CE3-CG 3.77Å; W270-K278 HydrophobicContact CZ3-CG 3.94Å; W270-K278 VanDerWaalsContact O-CE 3.23Å; W270-K278 WeakPolarHBondContact O-CE 3.49Å; W270-K278 PolarHBondContact O-NZ 3.34Å |
| 271 | S | 89.8 | Confident | 89.4 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | E267 | E267-S271 WeakPolarHBondContact O-CB 3.46Å; E267-S271 PolarHBondContact O-N 3.37Å; E267-S271 VanDerWaalsContact O-N 3.08Å; E267-S271 PolarHBondContact O-OG 2.97Å; E267-S271 VanDerWaalsContact O-OG 3.06Å |
| 272 | Q | 88.9 | Confident | 90.8 | Very high | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.9 | -179 | -57.6 | -56.6 | -65.3 | 0 | 0 | 114 | W270 N312 | W270-Q272 VanDerWaalsContact C-N 3.29Å; W270-Q272 PolarHBondContact O-N 3.39Å; Q272-N312 PolarHBondContact O-ND2 3.33Å; Q272-N312 VanDerWaalsContact O-ND2 3.07Å |
| 273 | I | 92.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -92.2 | 131.9 | -177.3 | -58.9 | 179 | 0 | 0 | 0 | 109.2 | L235 E269 W270 A277 K278 L314 | L235-I273 HydrophobicContact CB-CD1 4.08Å; L235-I273 HydrophobicContact CD1-CG2 4.35Å; L235-I273 HydrophobicContact CD2-CG2 4.16Å; E269-I273 WeakPolarHBondContact O-CD1 3.48Å; W270-I273 HydrophobicContact CD2-CD1 3.91Å; W270-I273 HydrophobicContact CE3-CB 3.99Å; W270-I273 HydrophobicContact CE3-CD1 3.75Å; W270-I273 HydrophobicContact CE3-CG1 4.44Å; W270-I273 HydrophobicContact CE3-CG2 3.82Å; W270-I273 HydrophobicContact CG-CD1 4.32Å; W270-I273 HydrophobicContact CZ3-CD1 4.22Å; W270-I273 HydrophobicContact CZ3-CG2 3.91Å; W270-I273 PolarHBondContact O-N 3.31Å; I273-A277 HydrophobicContact CG2-CB 3.79Å; I273-K278 WeakPolarHBondContact O-CE 3.41Å; I273-K278 PolarHBondContact O-NZ 3.23Å; I273-L314 HydrophobicContact CD1-CD2 4.16Å; I273-L314 HydrophobicContact CG1-CD2 3.99Å |
| 274 | S | 93.7 | Very high | 92.1 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | trans | -60.9 | 151.6 | -173 | 81 | 0 | 0 | 0 | 0 | 113.2 | E122 M276 A277 K278 | E122-S274 VanDerWaalsContact OE1-CB 3.23Å; E122-S274 WeakPolarHBondContact OE1-CB 3.34Å; E122-S274 PolarHBondContact OE1-OG 3.13Å; E122-S274 PolarHBondContact OE2-N 3.43Å; S274-M276 PolarHBondContact O-N 3.02Å; S274-M276 PolarHBondContact OG-N 2.71Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 3.27Å; S274-A277 PolarHBondContact OG-N 3.2Å; S274-A277 VanDerWaalsContact OG-N 3.11Å; S274-K278 PolarHBondContact O-N 2.87Å; S274-K278 VanDerWaalsContact O-N 3.17Å | ||
| 275 | E | 93.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -27.1 | 174.2 | -167.5 | 54.5 | -142.8 | 0 | 0 | 111.8 | K278 D279 R282 | E275-K278 PolarHBondContact O-N 3.49Å; E275-K278 WeakPolarHBondContact OE2-CD 3.32Å; E275-D279 VanDerWaalsContact O-CB 3.27Å; E275-D279 WeakPolarHBondContact O-CB 3.47Å; E275-D279 PolarHBondContact O-N 3.36Å; E275-R282 IonicContact OE1-CZ 2.91Å; E275-R282 IonicContact OE1-NE 3.9Å; E275-R282 IonicContact OE1-NH2 3.07Å; E275-R282 PolarHBondContact OE1-NH2 3.48Å |
| 276 | M | 94.2 | Very high | 91.9 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 176 | -59.6 | 169.1 | 76.8 | 0 | 0 | 111.5 | S274 D279 V280 H301 P302 W303 | S274-M276 PolarHBondContact O-N 3.02Å; S274-M276 PolarHBondContact OG-N 2.71Å; M276-D279 PolarHBondContact O-N 3.34Å; M276-V280 PolarHBondContact O-N 2.96Å; M276-H301 PolarHBondContact O-CE1 3.07Å; M276-P302 HydrophobicContact CE-CB 3.24Å; M276-P302 WeakPolarHBondContact CE-O 3.27Å; M276-W303 HydrophobicContact CB-CB 4.04Å; M276-W303 HydrophobicContact CB-CG 4.42Å |
| 277 | A | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E122 L235 I273 S274 D279 V280 V281 W303 | E122-A277 WeakPolarHBondContact OE1-CB 3.37Å; L235-A277 HydrophobicContact CD1-CB 3.82Å; L235-A277 HydrophobicContact CD2-CB 4.28Å; I273-A277 HydrophobicContact CG2-CB 3.79Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 3.27Å; S274-A277 PolarHBondContact OG-N 3.2Å; S274-A277 VanDerWaalsContact OG-N 3.11Å; A277-D279 VanDerWaalsContact C-N 3.29Å; A277-D279 PolarHBondContact O-N 2.89Å; A277-V280 WeakPolarHBondContact O-CG1 3.48Å; A277-V281 WeakPolarHBondContact O-CG2 3.37Å; A277-V281 PolarHBondContact O-N 3.41Å; A277-W303 HydrophobicContact CB-CD2 4.38Å; A277-W303 HydrophobicContact CB-CG 4.42Å; A277-W303 HydrophobicContact CB-CZ2 4.33Å |
| 278 | K | 95.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.6 | -67.1 | 169.8 | -175.1 | 167.9 | 0 | 111.4 | F265 W270 I273 S274 E275 V281 R282 | F265-K278 HydrophobicContact CD1-CG 4.24Å; F265-K278 HydrophobicContact CD2-CB 4.43Å; F265-K278 HydrophobicContact CD2-CD 4.42Å; F265-K278 HydrophobicContact CD2-CG 4.3Å; F265-K278 HydrophobicContact CE1-CB 4.37Å; F265-K278 HydrophobicContact CE1-CG 4.21Å; F265-K278 HydrophobicContact CE2-CB 3.98Å; F265-K278 HydrophobicContact CE2-CG 4.29Å; F265-K278 HydrophobicContact CG-CD 4.44Å; F265-K278 HydrophobicContact CG-CG 4.25Å; F265-K278 HydrophobicContact CZ-CB 3.92Å; F265-K278 HydrophobicContact CZ-CG 4.21Å; W270-K278 HydrophobicContact CE3-CD 4.42Å; W270-K278 HydrophobicContact CE3-CG 3.77Å; W270-K278 HydrophobicContact CZ3-CG 3.94Å; W270-K278 VanDerWaalsContact O-CE 3.23Å; W270-K278 WeakPolarHBondContact O-CE 3.49Å; W270-K278 PolarHBondContact O-NZ 3.34Å; I273-K278 WeakPolarHBondContact O-CE 3.41Å; I273-K278 PolarHBondContact O-NZ 3.23Å; S274-K278 PolarHBondContact O-N 2.87Å; S274-K278 VanDerWaalsContact O-N 3.17Å; E275-K278 PolarHBondContact O-N 3.49Å; E275-K278 WeakPolarHBondContact OE2-CD 3.32Å; K278-V281 PolarHBondContact O-N 3.42Å; K278-R282 WeakPolarHBondContact O-CG 3.49Å; K278-R282 PolarHBondContact O-N 2.95Å |
| 279 | D | 95.9 | Very high | 90 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | -178.4 | -169.8 | 60.5 | 0 | 0 | 0 | 113.2 | E275 M276 A277 V281 R282 K283 H301 | E275-D279 VanDerWaalsContact O-CB 3.27Å; E275-D279 WeakPolarHBondContact O-CB 3.47Å; E275-D279 PolarHBondContact O-N 3.36Å; M276-D279 PolarHBondContact O-N 3.34Å; A277-D279 VanDerWaalsContact C-N 3.29Å; A277-D279 PolarHBondContact O-N 2.89Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 3.41Å; D279-R282 PolarHBondContact O-N 3.05Å; D279-R282 IonicContact OD1-CZ 2.78Å; D279-R282 IonicContact OD1-NH1 2.68Å; D279-R282 PolarHBondContact OD1-NH1 3.02Å; D279-R282 IonicContact OD1-NH2 3.61Å; D279-R282 PolarHBondContact OD1-NH2 2.92Å; D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 3.49Å; D279-K283 WeakPolarHBondContact OD2-CE 3.43Å; D279-K283 IonicContact OD2-NZ 3.43Å; D279-K283 PolarHBondContact OD2-NZ 3.27Å; D279-H301 IonicContact OD2-CE1 2.72Å; D279-H301 IonicContact OD2-NE2 2.68Å; D279-H301 PolarHBondContact OD2-NE2 3.38Å; D279-H301 VanDerWaalsContact OD2-NE2 3.15Å |
| 280 | V | 96.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | I231 M276 A277 K283 L284 L293 W303 | I231-V280 HydrophobicContact CG2-CG1 4.49Å; M276-V280 PolarHBondContact O-N 2.96Å; A277-V280 WeakPolarHBondContact O-CG1 3.48Å; V280-K283 PolarHBondContact O-N 3.24Å; V280-L284 HydrophobicContact CG2-CD1 3.96Å; V280-L284 HydrophobicContact CG2-CG 4.49Å; V280-L284 WeakPolarHBondContact O-CB 3.34Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.02Å; V280-L293 HydrophobicContact CG2-CD2 4.09Å; V280-W303 HydrophobicContact CG1-CD2 4.11Å; V280-W303 HydrophobicContact CG1-CE3 3.6Å; V280-W303 HydrophobicContact CG1-CZ3 4.14Å |
| 281 | V | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | I231 Y232 L235 F263 F265 A277 K278 D279 K283 L284 L285 | I231-V281 HydrophobicContact CB-CG2 4.11Å; I231-V281 HydrophobicContact CG2-CG2 3.5Å; Y232-V281 HydrophobicContact CD2-CG1 3.87Å; L235-V281 HydrophobicContact CD1-CG2 4.2Å; F263-V281 HydrophobicContact CE2-CG1 3.93Å; F263-V281 HydrophobicContact CZ-CG1 4.18Å; F265-V281 HydrophobicContact CE1-CB 4.48Å; F265-V281 HydrophobicContact CE1-CG1 4.09Å; F265-V281 HydrophobicContact CZ-CB 4.39Å; F265-V281 HydrophobicContact CZ-CG1 4.17Å; A277-V281 WeakPolarHBondContact O-CG2 3.37Å; A277-V281 PolarHBondContact O-N 3.41Å; K278-V281 PolarHBondContact O-N 3.42Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 3.41Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 3.42Å; V281-L284 PolarHBondContact O-N 3.3Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 4.31Å; V281-L285 WeakPolarHBondContact O-CB 3.19Å; V281-L285 PolarHBondContact O-N 2.95Å |
| 282 | R | 94.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57 | -40.6 | 175.1 | -77.2 | -172.5 | -80.7 | 93 | -3.1 | 112.3 | F263 F265 E275 K278 D279 | F263-R282 HydrophobicContact CZ-CG 4.31Å; F265-R282 HydrophobicContact CE2-CG 3.69Å; F265-R282 HydrophobicContact CZ-CG 3.85Å; E275-R282 IonicContact OE1-CZ 2.91Å; E275-R282 IonicContact OE1-NE 3.9Å; E275-R282 IonicContact OE1-NH2 3.07Å; E275-R282 PolarHBondContact OE1-NH2 3.48Å; K278-R282 WeakPolarHBondContact O-CG 3.49Å; K278-R282 PolarHBondContact O-N 2.95Å; D279-R282 PolarHBondContact O-N 3.05Å; D279-R282 IonicContact OD1-CZ 2.78Å; D279-R282 IonicContact OD1-NH1 2.68Å; D279-R282 PolarHBondContact OD1-NH1 3.02Å; D279-R282 IonicContact OD1-NH2 3.61Å; D279-R282 PolarHBondContact OD1-NH2 2.92Å |
| 283 | K | 94.8 | Very high | 88.9 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.2 | -30.3 | 179.3 | -68.9 | 171.5 | 171.2 | 165.5 | 0 | 112.8 | D279 V280 V281 R292 L293 | D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 3.49Å; D279-K283 WeakPolarHBondContact OD2-CE 3.43Å; D279-K283 IonicContact OD2-NZ 3.43Å; D279-K283 PolarHBondContact OD2-NZ 3.27Å; V280-K283 PolarHBondContact O-N 3.24Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 3.42Å; K283-R292 WeakPolarHBondContact O-CA 3.27Å; K283-L293 HydrophobicContact CB-CB 3.99Å; K283-L293 HydrophobicContact CB-CD2 4.19Å; K283-L293 HydrophobicContact CD-CD1 4.4Å; K283-L293 HydrophobicContact CD-CD2 4.48Å; K283-L293 PolarHBondContact O-N 2.72Å |
| 284 | L | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -80.9 | -31.5 | 176.2 | -74.4 | 170 | 0 | 0 | 0 | 113.8 | L224 L227 I231 V280 V281 K286 R292 L293 V298 | L224-L284 HydrophobicContact CB-CD2 3.95Å; L224-L284 WeakPolarHBondContact O-CD2 3.4Å; L227-L284 HydrophobicContact CD2-CD1 4.4Å; L227-L284 HydrophobicContact CG-CD1 4.3Å; I231-L284 HydrophobicContact CD1-CD1 3.55Å; V280-L284 HydrophobicContact CG2-CD1 3.96Å; V280-L284 HydrophobicContact CG2-CG 4.49Å; V280-L284 WeakPolarHBondContact O-CB 3.34Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.02Å; V281-L284 PolarHBondContact O-N 3.3Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 3.26Å; L284-R292 WeakPolarHBondContact O-CD 3.11Å; L284-R292 WeakPolarHBondContact O-CG 3.44Å; L284-R292 PolarHBondContact O-NE 3.2Å; L284-R292 VanDerWaalsContact O-NE 3.13Å; L284-L293 HydrophobicContact CD2-CB 4.05Å; L284-L293 HydrophobicContact CG-CB 4.4Å; L284-V298 HydrophobicContact CD1-CG2 4.28Å; L284-V298 HydrophobicContact CD2-CG2 3.65Å; L284-V298 HydrophobicContact CG-CG2 4.29Å |
| 285 | L | 89.3 | Confident | 88.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -93.7 | 23.8 | -179.1 | -61.9 | -176.2 | 0 | 0 | 0 | 113.5 | W225 V229 P240 F241 F263 V281 V287 | W225-L285 HydrophobicContact CD2-CD2 3.94Å; W225-L285 HydrophobicContact CE3-CD2 4.22Å; W225-L285 HydrophobicContact CG-CD2 4.31Å; W225-L285 HydrophobicContact CZ2-CD2 4.4Å; W225-L285 HydrophobicContact CZ3-CB 4.49Å; W225-L285 WeakPolarHBondContact CZ3-O 3.49Å; W225-L285 WeakPolarHBondContact O-CD2 3.19Å; V229-L285 HydrophobicContact CG2-CD2 3.86Å; P240-L285 HydrophobicContact CB-CD1 4.14Å; P240-L285 HydrophobicContact CG-CD1 4.04Å; F241-L285 HydrophobicContact CZ-CD1 4.44Å; F263-L285 HydrophobicContact CD1-CB 4.28Å; F263-L285 HydrophobicContact CD1-CD1 4.17Å; F263-L285 HydrophobicContact CD2-CD1 4.48Å; F263-L285 HydrophobicContact CE1-CB 3.47Å; F263-L285 VanDerWaalsContact CE1-CB 3.47Å; F263-L285 HydrophobicContact CE1-CD1 3.87Å; F263-L285 HydrophobicContact CE1-CG 4.31Å; F263-L285 HydrophobicContact CE2-CD1 4.17Å; F263-L285 HydrophobicContact CG-CD1 4.47Å; F263-L285 HydrophobicContact CZ-CB 3.83Å; F263-L285 HydrophobicContact CZ-CD1 3.85Å; F263-L285 HydrophobicContact CZ-CG 4.4Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 4.31Å; V281-L285 WeakPolarHBondContact O-CB 3.19Å; V281-L285 PolarHBondContact O-N 2.95Å; L285-V287 PolarHBondContact O-N 3.46Å |
| 286 | K | 85.3 | Confident | 88.8 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 39% | 0.391 | 22% | 0.22 | S | C | . | . | trans | -64.3 | 129.1 | 168.4 | -74 | -70.5 | -171.2 | 164.4 | 0 | 110.4 | L284 E291 R292 | L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 3.26Å; K286-E291 HydrophobicContact CB-CB 4.18Å; K286-E291 HydrophobicContact CD-CB 4.38Å; K286-E291 HydrophobicContact CG-CB 4.24Å; K286-E291 IonicContact NZ-OE2 3.15Å; K286-R292 HydrophobicContact CB-CB 4.33Å; K286-R292 PolarHBondContact O-NE 3.41Å; K286-R292 PolarHBondContact O-NH2 2.76Å | ||
| 287 | V | 76.8 | Confident | 88.8 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 39% | 0.394 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -59.5 | -52 | -180 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | M259 T260 L285 P289 R292 | M259-V287 WeakPolarHBondContact O-CG1 3.25Å; T260-V287 VanDerWaalsContact C-CG2 3.41Å; L285-V287 PolarHBondContact O-N 3.46Å; V287-P289 VanDerWaalsContact O-CD 3.27Å; V287-P289 WeakPolarHBondContact O-CD 2.99Å; V287-R292 PolarHBondContact O-NH2 3.15Å |
| 288 | K | 73.4 | Confident | 88.8 | Confident | 108 Ų | 108 | 43.8 Ų | 43.8 | 47% | 0.47 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -69.6 | 116.8 | 177.8 | -73.7 | -176.8 | -172.5 | 171 | 0 | 109.1 | E290 E291 R292 | K288-E290 HydrophobicContact CB-CG 4.45Å; K288-E290 PolarHBondContact O-N 3.26Å; K288-E291 HydrophobicContact CB-CB 4.3Å; K288-E291 HydrophobicContact CB-CG 4.05Å; K288-E291 HydrophobicContact CD-CG 4.39Å; K288-E291 VanDerWaalsContact CD-OE1 3.32Å; K288-E291 WeakPolarHBondContact CD-OE1 3.41Å; K288-E291 IonicContact NZ-OE1 3.75Å; K288-E291 PolarHBondContact NZ-OE1 3.46Å; K288-E291 PolarHBondContact O-N 3.22Å; K288-E291 VanDerWaalsContact O-N 3.11Å; K288-R292 PolarHBondContact O-N 3.38Å |
| 289 | P | 73.6 | Confident | 88.9 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -52.8 | -41.5 | -179.1 | -28.4 | 37.6 | 0 | 0 | 0 | 112.2 | Y216 V287 E291 R292 | Y216-P289 HydrophobicContact CD1-CB 4.48Å; Y216-P289 HydrophobicContact CE1-CB 3.53Å; Y216-P289 WeakPolarHBondContact CE1-O 3.2Å; Y216-P289 PolarHBondContact OH-O 3.04Å; V287-P289 VanDerWaalsContact O-CD 3.27Å; V287-P289 WeakPolarHBondContact O-CD 2.99Å; P289-E291 VanDerWaalsContact C-N 3.27Å; P289-E291 PolarHBondContact O-N 3.26Å; P289-R292 WeakPolarHBondContact O-CB 3.46Å; P289-R292 PolarHBondContact O-N 3.12Å |
| 290 | E | 72.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -66.7 | -20.9 | -178.1 | 65.3 | -87.5 | -153.9 | 0 | 0 | 115.2 | K288 R292 | K288-E290 HydrophobicContact CB-CG 4.45Å; K288-E290 PolarHBondContact O-N 3.26Å; E290-R292 VanDerWaalsContact C-N 3.35Å |
| 291 | E | 82.4 | Confident | 88.9 | Confident | 97 Ų | 97 | 47.2 Ų | 47.2 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -89.6 | -8.3 | 174.5 | -64.6 | -178.3 | -169.8 | 0 | 0 | 111.9 | K286 K288 P289 | K286-E291 HydrophobicContact CB-CB 4.18Å; K286-E291 HydrophobicContact CD-CB 4.38Å; K286-E291 HydrophobicContact CG-CB 4.24Å; K286-E291 IonicContact NZ-OE2 3.15Å; K288-E291 HydrophobicContact CB-CB 4.3Å; K288-E291 HydrophobicContact CB-CG 4.05Å; K288-E291 HydrophobicContact CD-CG 4.39Å; K288-E291 VanDerWaalsContact CD-OE1 3.32Å; K288-E291 WeakPolarHBondContact CD-OE1 3.41Å; K288-E291 IonicContact NZ-OE1 3.75Å; K288-E291 PolarHBondContact NZ-OE1 3.46Å; K288-E291 PolarHBondContact O-N 3.22Å; K288-E291 VanDerWaalsContact O-N 3.11Å; P289-E291 VanDerWaalsContact C-N 3.27Å; P289-E291 PolarHBondContact O-N 3.26Å |
| 292 | R | 88.4 | Confident | 88.7 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -75.9 | 141.8 | -176.9 | -166.7 | 175.2 | -61.8 | 134.9 | 12.9 | 110.3 | Y216 S221 L224 K283 L284 K286 V287 K288 P289 E290 T294 | Y216-R292 WeakPolarHBondContact OH-CB 3.35Å; S221-R292 VanDerWaalsContact C-NH1 3.27Å; S221-R292 PolarHBondContact O-NH1 3.04Å; S221-R292 PolarHBondContact OG-NH1 2.86Å; L224-R292 HydrophobicContact CB-CG 4.46Å; K283-R292 WeakPolarHBondContact O-CA 3.27Å; L284-R292 WeakPolarHBondContact O-CD 3.11Å; L284-R292 WeakPolarHBondContact O-CG 3.44Å; L284-R292 PolarHBondContact O-NE 3.2Å; L284-R292 VanDerWaalsContact O-NE 3.13Å; K286-R292 HydrophobicContact CB-CB 4.33Å; K286-R292 PolarHBondContact O-NE 3.41Å; K286-R292 PolarHBondContact O-NH2 2.76Å; V287-R292 PolarHBondContact O-NH2 3.15Å; K288-R292 PolarHBondContact O-N 3.38Å; P289-R292 WeakPolarHBondContact O-CB 3.46Å; P289-R292 PolarHBondContact O-N 3.12Å; E290-R292 VanDerWaalsContact C-N 3.35Å; R292-T294 PolarHBondContact O-N 2.92Å |
| 293 | L | 90.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 134.1 | 174.8 | -160.3 | 57.3 | 0 | 0 | 0 | 110.5 | L224 V280 K283 L284 V298 | L224-L293 WeakPolarHBondContact CD1-O 3.49Å; V280-L293 HydrophobicContact CG2-CD2 4.09Å; K283-L293 HydrophobicContact CB-CB 3.99Å; K283-L293 HydrophobicContact CB-CD2 4.19Å; K283-L293 HydrophobicContact CD-CD1 4.4Å; K283-L293 HydrophobicContact CD-CD2 4.48Å; K283-L293 PolarHBondContact O-N 2.72Å; L284-L293 HydrophobicContact CD2-CB 4.05Å; L284-L293 HydrophobicContact CG-CB 4.4Å; L293-V298 HydrophobicContact CB-CG2 4.37Å; L293-V298 HydrophobicContact CD2-CB 4.39Å; L293-V298 HydrophobicContact CD2-CG2 3.72Å; L293-V298 HydrophobicContact CG-CG2 3.98Å |
| 294 | T | 90.1 | Very high | 88.6 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -77.2 | 165.8 | 173.8 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | Y216 R292 E296 G297 V298 | Y216-T294 HydrophobicContact CD2-CG2 4.46Å; R292-T294 PolarHBondContact O-N 2.92Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 2.73Å; T294-G297 CarbonylContact O-C 3.58Å; T294-G297 WeakPolarHBondContact O-CA 3.46Å; T294-G297 PolarHBondContact O-N 3.1Å; T294-G297 VanDerWaalsContact O-N 3.12Å; T294-G297 PolarHBondContact OG1-N 3.02Å; T294-G297 VanDerWaalsContact OG1-N 3.16Å; T294-V298 WeakPolarHBondContact O-CG2 3.42Å; T294-V298 PolarHBondContact O-N 3.35Å |
| 295 | I | 93.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 179.2 | -166.6 | 60.3 | 0 | 0 | 0 | 112.9 | A133 L136 R137 L224 V298 L299 | A133-I295 HydrophobicContact CB-CD1 4.02Å; A133-I295 WeakPolarHBondContact O-CD1 3.4Å; L136-I295 HydrophobicContact CB-CD1 3.89Å; L136-I295 HydrophobicContact CB-CG1 4.42Å; L136-I295 HydrophobicContact CD1-CD1 4.47Å; R137-I295 HydrophobicContact CB-CG1 3.78Å; R137-I295 HydrophobicContact CB-CG2 4.44Å; R137-I295 HydrophobicContact CG-CG2 4.41Å; L224-I295 HydrophobicContact CD2-CB 4.09Å; L224-I295 HydrophobicContact CD2-CD1 3.76Å; L224-I295 HydrophobicContact CD2-CG1 4.49Å; I295-V298 WeakPolarHBondContact O-CB 3.18Å; I295-V298 PolarHBondContact O-N 2.95Å; I295-L299 PolarHBondContact O-N 3.22Å; I295-L299 VanDerWaalsContact O-N 3.11Å |
| 296 | E | 93.1 | Very high | 87.9 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 172.9 | -56.7 | -51.1 | 147.3 | 0 | 0 | 110.7 | R137 T294 V298 L299 D300 | R137-E296 WeakPolarHBondContact CD-OE1 3.46Å; R137-E296 WeakPolarHBondContact CD-OE2 3.25Å; R137-E296 VanDerWaalsContact CG-OE1 3.28Å; R137-E296 WeakPolarHBondContact CG-OE1 3.29Å; R137-E296 IonicContact NH1-OE2 2.97Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 2.73Å; E296-V298 PolarHBondContact O-N 3.42Å; E296-L299 PolarHBondContact O-N 2.96Å; E296-D300 WeakPolarHBondContact O-CB 3.25Å; E296-D300 PolarHBondContact O-N 3.37Å |
| 297 | G | 94.5 | Very high | 86.8 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -30.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T294 H301 | T294-G297 CarbonylContact O-C 3.58Å; T294-G297 WeakPolarHBondContact O-CA 3.46Å; T294-G297 PolarHBondContact O-N 3.1Å; T294-G297 VanDerWaalsContact O-N 3.12Å; T294-G297 PolarHBondContact OG1-N 3.02Å; T294-G297 VanDerWaalsContact OG1-N 3.16Å; G297-H301 WeakPolarHBondContact O-CB 3.4Å; G297-H301 PolarHBondContact O-N 3.2Å |
| 298 | V | 96.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -49.2 | 171.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A133 L227 L284 L293 T294 I295 E296 D300 H301 L304 | A133-V298 HydrophobicContact CB-CG1 4.06Å; L227-V298 HydrophobicContact CD2-CG1 4.12Å; L227-V298 HydrophobicContact CD2-CG2 4.48Å; L284-V298 HydrophobicContact CD1-CG2 4.28Å; L284-V298 HydrophobicContact CD2-CG2 3.65Å; L284-V298 HydrophobicContact CG-CG2 4.29Å; L293-V298 HydrophobicContact CB-CG2 4.37Å; L293-V298 HydrophobicContact CD2-CB 4.39Å; L293-V298 HydrophobicContact CD2-CG2 3.72Å; L293-V298 HydrophobicContact CG-CG2 3.98Å; T294-V298 WeakPolarHBondContact O-CG2 3.42Å; T294-V298 PolarHBondContact O-N 3.35Å; I295-V298 WeakPolarHBondContact O-CB 3.18Å; I295-V298 PolarHBondContact O-N 2.95Å; E296-V298 PolarHBondContact O-N 3.42Å; V298-D300 VanDerWaalsContact C-N 3.29Å; V298-D300 PolarHBondContact O-N 3.05Å; V298-H301 WeakPolarHBondContact O-CB 3.42Å; V298-H301 PolarHBondContact O-N 3.46Å; V298-L304 HydrophobicContact CG1-CD1 4.41Å; V298-L304 HydrophobicContact CG1-CD2 3.98Å; V298-L304 WeakPolarHBondContact O-CD2 3.42Å |
| 299 | L | 96.3 | Very high | 85.6 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.8 | -30.6 | -177.4 | -73.2 | 167.4 | 0 | 0 | 0 | 112.9 | K130 A133 L134 R137 I295 E296 H301 L304 N305 | K130-L299 HydrophobicContact CG-CD2 4.48Å; A133-L299 HydrophobicContact CB-CD2 3.69Å; A133-L299 HydrophobicContact CB-CG 4.1Å; L134-L299 HydrophobicContact CD2-CD1 4.33Å; L134-L299 HydrophobicContact CD2-CD2 3.97Å; L134-L299 HydrophobicContact CG-CD2 4.06Å; R137-L299 HydrophobicContact CB-CD1 3.97Å; R137-L299 VanDerWaalsContact CD-CD1 3.49Å; R137-L299 HydrophobicContact CG-CD1 4.24Å; I295-L299 PolarHBondContact O-N 3.22Å; I295-L299 VanDerWaalsContact O-N 3.11Å; E296-L299 PolarHBondContact O-N 2.96Å; L299-H301 VanDerWaalsContact C-N 3.31Å; L299-L304 HydrophobicContact CD2-CD2 4.46Å; L299-N305 PolarHBondContact O-ND2 3.02Å |
| 300 | D | 95.8 | Very high | 85.6 | Confident | 117 Ų | 117 | 53.2 Ų | 53.2 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.2 | 174.1 | -67.1 | -21.3 | 0 | 0 | 0 | 112.6 | E296 V298 | E296-D300 WeakPolarHBondContact O-CB 3.25Å; E296-D300 PolarHBondContact O-N 3.37Å; V298-D300 VanDerWaalsContact C-N 3.29Å; V298-D300 PolarHBondContact O-N 3.05Å |
| 301 | H | 95.9 | Very high | 86 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -61.3 | 133.1 | -175.4 | -163.4 | -92.6 | 0 | 0 | 0 | 110.8 | M276 D279 G297 V298 L299 W303 L304 | M276-H301 PolarHBondContact O-CE1 3.07Å; D279-H301 IonicContact OD2-CE1 2.72Å; D279-H301 IonicContact OD2-NE2 2.68Å; D279-H301 PolarHBondContact OD2-NE2 3.38Å; D279-H301 VanDerWaalsContact OD2-NE2 3.15Å; G297-H301 WeakPolarHBondContact O-CB 3.4Å; G297-H301 PolarHBondContact O-N 3.2Å; V298-H301 WeakPolarHBondContact O-CB 3.42Å; V298-H301 PolarHBondContact O-N 3.46Å; L299-H301 VanDerWaalsContact C-N 3.31Å; H301-W303 VanDerWaalsContact ND1-CB 3.35Å; H301-W303 WeakPolarHBondContact ND1-CB 3.35Å; H301-W303 PolarHBondContact ND1-N 2.77Å; H301-W303 PolarHBondContact O-N 2.63Å; H301-L304 HydrophobicContact CB-CD1 4.27Å; H301-L304 PolarHBondContact O-N 3.11Å |
| 302 | P | 93.6 | Very high | 86.2 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.2 | -32.1 | -178.5 | -32.3 | 38.4 | 0 | 0 | 0 | 114.2 | M276 L304 N305 S306 | M276-P302 HydrophobicContact CE-CB 3.24Å; M276-P302 WeakPolarHBondContact CE-O 3.27Å; P302-L304 PolarHBondContact O-N 2.99Å; P302-N305 CarbonylContact O-C 3.56Å; P302-N305 PolarHBondContact O-N 3.38Å; P302-S306 WeakPolarHBondContact O-CB 3.46Å; P302-S306 PolarHBondContact O-N 3.29Å |
| 303 | W | 94.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -31.3 | 177 | -173.8 | 62.3 | 0 | 0 | 0 | 113.8 | E122 A125 S126 T129 I231 L235 M276 A277 V280 H301 | E122-W303 HydrophobicContact CG-CZ2 4.3Å; E122-W303 PolarHBondContact OE1-NE1 2.96Å; A125-W303 HydrophobicContact CB-CH2 4.37Å; A125-W303 HydrophobicContact CB-CZ2 4.29Å; S126-W303 PolarHBondContact OG-O 2.68Å; T129-W303 HydrophobicContact CG2-CZ3 3.93Å; I231-W303 HydrophobicContact CD1-CZ3 4.39Å; I231-W303 HydrophobicContact CG1-CZ3 4.43Å; I231-W303 HydrophobicContact CG2-CH2 3.88Å; I231-W303 HydrophobicContact CG2-CZ3 3.94Å; L235-W303 HydrophobicContact CD2-CZ2 4.08Å; M276-W303 HydrophobicContact CB-CB 4.04Å; M276-W303 HydrophobicContact CB-CG 4.42Å; A277-W303 HydrophobicContact CB-CD2 4.38Å; A277-W303 HydrophobicContact CB-CG 4.42Å; A277-W303 HydrophobicContact CB-CZ2 4.33Å; V280-W303 HydrophobicContact CG1-CD2 4.11Å; V280-W303 HydrophobicContact CG1-CE3 3.6Å; V280-W303 HydrophobicContact CG1-CZ3 4.14Å; H301-W303 VanDerWaalsContact ND1-CB 3.35Å; H301-W303 WeakPolarHBondContact ND1-CB 3.35Å; H301-W303 PolarHBondContact ND1-N 2.77Å; H301-W303 PolarHBondContact O-N 2.63Å |
| 304 | L | 92.9 | Very high | 86.2 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -88.5 | -16.6 | 179.8 | -81.6 | 77.4 | 0 | 0 | 0 | 113 | T129 K130 V298 L299 H301 P302 | T129-L304 HydrophobicContact CG2-CD1 4.44Å; T129-L304 HydrophobicContact CG2-CD2 4.32Å; K130-L304 HydrophobicContact CB-CD2 4.05Å; K130-L304 HydrophobicContact CG-CD2 4.38Å; K130-L304 PolarHBondContact NZ-O 3Å; V298-L304 HydrophobicContact CG1-CD1 4.41Å; V298-L304 HydrophobicContact CG1-CD2 3.98Å; V298-L304 WeakPolarHBondContact O-CD2 3.42Å; L299-L304 HydrophobicContact CD2-CD2 4.46Å; H301-L304 HydrophobicContact CB-CD1 4.27Å; H301-L304 PolarHBondContact O-N 3.11Å; P302-L304 PolarHBondContact O-N 2.99Å |
| 305 | N | 87.1 | Confident | 86.1 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -116.6 | -2 | -174.7 | -64 | -40.1 | 0 | 0 | 0 | 113.2 | K130 L299 P302 T307 | K130-N305 PolarHBondContact NZ-OD1 2.72Å; L299-N305 PolarHBondContact O-ND2 3.02Å; P302-N305 CarbonylContact O-C 3.56Å; P302-N305 PolarHBondContact O-N 3.38Å; N305-T307 PolarHBondContact O-N 2.66Å |
| 306 | S | 78.5 | Confident | 85.7 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -62.8 | 128 | 177.5 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | P302 E308 | P302-S306 WeakPolarHBondContact O-CB 3.46Å; P302-S306 PolarHBondContact O-N 3.29Å; S306-E308 PolarHBondContact OG-N 3.29Å | ||
| 307 | T | 63.6 | Low | 85.3 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 87% | 0.871 | 29% | 0.285 | S | S | * | . | trans | -92 | -11.3 | 170.9 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | N305 | N305-T307 PolarHBondContact O-N 2.66Š| ||
| 308 | E | 64.6 | Low | 84.8 | Confident | 154 Ų | 154 | 54.8 Ų | 54.8 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -67.2 | 135.5 | 171.9 | -67.2 | -176.8 | 172.7 | 0 | 0 | 109.1 | S306 L310 | S306-E308 PolarHBondContact OG-N 3.29Å; E308-L310 PolarHBondContact O-N 3.29Å |
| 309 | A | 59.6 | Low | 84.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | trans | -66.7 | 94.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D311 | A309-D311 WeakPolarHBondContact CB-OD2 3.4Å; A309-D311 PolarHBondContact O-N 2.95Å | ||
| 310 | L | 74 | Confident | 83.5 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | trans | -73.6 | 52.2 | 166.4 | -63.3 | 173.7 | 0 | 0 | 0 | 110.4 | E122 K123 E308 N312 | E122-L310 CarbonylContact C-O 3.5Å; E122-L310 HydrophobicContact CB-CB 4.08Å; E122-L310 WeakPolarHBondContact CB-O 3.37Å; E122-L310 HydrophobicContact CG-CB 4.25Å; E122-L310 HydrophobicContact CG-CD1 4.48Å; E122-L310 PolarHBondContact N-O 3.38Å; K123-L310 HydrophobicContact CB-CB 4.23Å; K123-L310 WeakPolarHBondContact CB-O 3.47Å; K123-L310 PolarHBondContact N-O 3.34Å; E308-L310 PolarHBondContact O-N 3.29Å; L310-N312 PolarHBondContact O-N 2.82Å | ||
| 311 | D | 79.3 | Confident | 82.8 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | trans | -85.3 | 11.5 | -173.6 | -68.7 | -17.8 | 0 | 0 | 0 | 112.6 | K123 A309 V313 | K123-D311 VanDerWaalsContact CD-OD1 3.25Å; K123-D311 WeakPolarHBondContact CD-OD1 3.33Å; A309-D311 WeakPolarHBondContact CB-OD2 3.4Å; A309-D311 PolarHBondContact O-N 2.95Å; D311-V313 PolarHBondContact O-N 3.45Å | ||
| 312 | N | 86.6 | Confident | 81.9 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 124.8 | 173.5 | -62.7 | -29.6 | 0 | 0 | 0 | 109.7 | T121 E122 Q272 L310 L314 | T121-N312 CarbonylContact C-O 3.48Å; T121-N312 VanDerWaalsContact CA-O 3.24Å; T121-N312 WeakPolarHBondContact CA-O 3.37Å; E122-N312 PolarHBondContact N-O 3.35Å; Q272-N312 PolarHBondContact O-ND2 3.33Å; Q272-N312 VanDerWaalsContact O-ND2 3.07Å; L310-N312 PolarHBondContact O-N 2.82Å; N312-L314 PolarHBondContact O-N 3.17Å |
| 313 | V | 88.9 | Confident | 81 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 123.1 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | D311 | D311-V313 PolarHBondContact O-N 3.45Å |
| 314 | L | 90.6 | Very high | 80 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 143.7 | -179.5 | -64.2 | 172 | 0 | 0 | 0 | 110.9 | F120 E122 A125 L235 I273 N312 S316 | F120-L314 HydrophobicContact CD1-CB 4.42Å; F120-L314 HydrophobicContact CD1-CD1 3.6Å; F120-L314 HydrophobicContact CE1-CD1 3.75Å; F120-L314 WeakPolarHBondContact O-CB 3.49Å; F120-L314 PolarHBondContact O-N 2.82Å; E122-L314 HydrophobicContact CB-CD2 4Å; E122-L314 HydrophobicContact CB-CG 4.35Å; E122-L314 HydrophobicContact CG-CD2 4.45Å; A125-L314 HydrophobicContact CB-CD1 3.82Å; L235-L314 HydrophobicContact CD2-CD1 4.07Å; L235-L314 HydrophobicContact CD2-CD2 3.86Å; I273-L314 HydrophobicContact CD1-CD2 4.16Å; I273-L314 HydrophobicContact CG1-CD2 3.99Å; N312-L314 PolarHBondContact O-N 3.17Å; L314-S316 PolarHBondContact O-N 3.3Å |
| 315 | P | 87.4 | Confident | 79.1 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.3 | 177.2 | 27.9 | -33.9 | 0 | 0 | 0 | 113.2 | L235 E269 A317 Q318 L319 | L235-P315 WeakPolarHBondContact O-CD 3.48Å; E269-P315 HydrophobicContact CB-CB 4.4Å; E269-P315 HydrophobicContact CB-CG 3.78Å; E269-P315 HydrophobicContact CG-CB 4.47Å; E269-P315 HydrophobicContact CG-CG 4.34Å; P315-A317 VanDerWaalsContact C-N 3.32Å; P315-A317 PolarHBondContact O-N 2.63Å; P315-Q318 PolarHBondContact O-N 2.79Å; P315-Q318 VanDerWaalsContact O-N 3.14Å; P315-L319 HydrophobicContact CB-CD1 4.33Å; P315-L319 PolarHBondContact O-N 3.06Å; P315-L319 VanDerWaalsContact O-N 3.1Å |
| 316 | S | 86.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.4 | -41.1 | -177.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | M234 L314 Q318 L319 M320 | M234-S316 WeakPolarHBondContact O-CB 3.47Å; M234-S316 PolarHBondContact O-OG 3.46Å; L314-S316 PolarHBondContact O-N 3.3Å; S316-Q318 VanDerWaalsContact C-N 3.3Å; S316-Q318 PolarHBondContact O-N 3.27Å; S316-L319 PolarHBondContact O-N 3Å; S316-M320 VanDerWaalsContact O-CB 3.25Å; S316-M320 WeakPolarHBondContact O-CB 3.4Å; S316-M320 WeakPolarHBondContact O-CG 3.36Å; S316-M320 PolarHBondContact O-N 3.02Å |
| 317 | A | 85.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.017 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I114 H117 F120 P315 M321 | I114-A317 HydrophobicContact CG2-CB 4.48Å; H117-A317 WeakPolarHBondContact O-CB 3.28Å; F120-A317 HydrophobicContact CB-CB 3.94Å; P315-A317 VanDerWaalsContact C-N 3.32Å; P315-A317 PolarHBondContact O-N 2.63Å; A317-M321 WeakPolarHBondContact O-CG 3.13Å |
| 318 | Q | 83.5 | Confident | 79 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -73.8 | -43.8 | -179.3 | -174.2 | 174.6 | -7 | 0 | 0 | 111.9 | P315 S316 M320 M321 | P315-Q318 PolarHBondContact O-N 2.79Å; P315-Q318 VanDerWaalsContact O-N 3.14Å; S316-Q318 VanDerWaalsContact C-N 3.3Å; S316-Q318 PolarHBondContact O-N 3.27Å; Q318-M320 VanDerWaalsContact C-N 3.28Å; Q318-M320 PolarHBondContact O-N 2.91Å; Q318-M321 WeakPolarHBondContact O-CG 3.3Å; Q318-M321 PolarHBondContact O-N 3.5Å |
| 319 | L | 81.9 | Confident | 79.6 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.6 | -29.2 | -179.3 | -72.9 | 167.2 | 0 | 0 | 0 | 112.8 | C236 Y238 E269 P315 S316 | C236-L319 WeakPolarHBondContact O-CD1 3.37Å; Y238-L319 HydrophobicContact CD1-CD1 4.41Å; E269-L319 HydrophobicContact CG-CD1 4.06Å; P315-L319 HydrophobicContact CB-CD1 4.33Å; P315-L319 PolarHBondContact O-N 3.06Å; P315-L319 VanDerWaalsContact O-N 3.1Å; S316-L319 PolarHBondContact O-N 3Å |
| 320 | M | 83.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.9 | 179.5 | -67.9 | -179.9 | 172.5 | 0 | 0 | 114.4 | F111 I114 S115 V233 S316 Q318 D322 V326 I329 | F111-M320 HydrophobicContact CB-CE 4.48Å; F111-M320 HydrophobicContact CB-SD 4.15Å; F111-M320 HydrophobicContact CD1-CE 3.97Å; F111-M320 HydrophobicContact CD1-SD 4.32Å; F111-M320 HydrophobicContact CD2-CE 4.37Å; F111-M320 HydrophobicContact CE1-CE 4.31Å; F111-M320 HydrophobicContact CG-CE 4.04Å; F111-M320 HydrophobicContact CG-SD 4.3Å; I114-M320 HydrophobicContact CB-SD 4.39Å; I114-M320 HydrophobicContact CG2-SD 3.97Å; S115-M320 WeakPolarHBondContact CB-O 3.38Å; V233-M320 HydrophobicContact CG1-CE 3.23Å; V233-M320 WeakPolarHBondContact O-CE 3.08Å; S316-M320 VanDerWaalsContact O-CB 3.25Å; S316-M320 WeakPolarHBondContact O-CB 3.4Å; S316-M320 WeakPolarHBondContact O-CG 3.36Å; S316-M320 PolarHBondContact O-N 3.02Å; Q318-M320 VanDerWaalsContact C-N 3.28Å; Q318-M320 PolarHBondContact O-N 2.91Å; M320-D322 PolarHBondContact O-N 3.25Å; M320-V326 HydrophobicContact CB-CG2 3.83Å; M320-V326 HydrophobicContact CG-CG2 4.25Å; M320-V326 VanDerWaalsContact O-CG2 3.25Å; M320-V326 WeakPolarHBondContact O-CG2 3.32Å; M320-I329 HydrophobicContact CE-CD1 4.17Å |
| 321 | M | 79.5 | Confident | 80.6 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 53% | 0.527 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.3 | 178.4 | -71.4 | -173.5 | 178 | 0 | 0 | 112.5 | A317 Q318 K323 | A317-M321 WeakPolarHBondContact O-CG 3.13Å; Q318-M321 WeakPolarHBondContact O-CG 3.3Å; Q318-M321 PolarHBondContact O-N 3.5Å; M321-K323 PolarHBondContact O-N 3.33Å |
| 322 | D | 77.3 | Confident | 80.3 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -78.9 | 116.1 | 172.7 | -173.4 | -7.3 | 0 | 0 | 0 | 110.9 | M320 A324 V325 V326 | M320-D322 PolarHBondContact O-N 3.25Å; D322-A324 PolarHBondContact O-N 2.99Å; D322-A324 WeakPolarHBondContact OD1-CB 3.36Å; D322-A324 PolarHBondContact OD1-N 3Å; D322-V325 HydrophobicContact CB-CB 4.23Å; D322-V325 HydrophobicContact CB-CG2 3.82Å; D322-V325 WeakPolarHBondContact O-CB 3.48Å; D322-V325 PolarHBondContact O-N 3.02Å; D322-V326 PolarHBondContact O-N 3.39Å |
| 323 | K | 74.3 | Confident | 79.6 | Confident | 158 Ų | 158 | 52.1 Ų | 52.1 | 69% | 0.687 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.4 | -30.8 | 176.8 | -68.8 | -175.5 | 178.5 | -179.9 | 0 | 112.8 | M321 V325 V326 A327 | M321-K323 PolarHBondContact O-N 3.33Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V326 PolarHBondContact O-N 3.48Å; K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.45Å |
| 324 | A | 74.5 | Confident | 78.9 | Confident | 66 Ų | 66 | 50 Ų | 50 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D322 A327 G328 | D322-A324 PolarHBondContact O-N 2.99Å; D322-A324 WeakPolarHBondContact OD1-CB 3.36Å; D322-A324 PolarHBondContact OD1-N 3Å; A324-A327 PolarHBondContact O-N 3.32Å; A324-G328 PolarHBondContact O-N 3.44Å |
| 325 | V | 74.4 | Confident | 77.9 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 35% | 0.345 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 110 | D322 K323 A327 G328 I329 | D322-V325 HydrophobicContact CB-CB 4.23Å; D322-V325 HydrophobicContact CB-CG2 3.82Å; D322-V325 WeakPolarHBondContact O-CB 3.48Å; D322-V325 PolarHBondContact O-N 3.02Å; K323-V325 VanDerWaalsContact C-N 3.33Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.5Å; V325-G328 PolarHBondContact O-N 3Å; V325-G328 VanDerWaalsContact O-N 3.16Å; V325-I329 HydrophobicContact CG1-CD1 3.91Å; V325-I329 VanDerWaalsContact O-CG1 3.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.44Å; V325-I329 PolarHBondContact O-N 2.96Å |
| 326 | V | 75.6 | Confident | 77 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 177.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | F111 M320 D322 K323 G328 I329 Q330 | F111-V326 HydrophobicContact CB-CG1 4.04Å; M320-V326 HydrophobicContact CB-CG2 3.83Å; M320-V326 HydrophobicContact CG-CG2 4.25Å; M320-V326 VanDerWaalsContact O-CG2 3.25Å; M320-V326 WeakPolarHBondContact O-CG2 3.32Å; D322-V326 PolarHBondContact O-N 3.39Å; K323-V326 PolarHBondContact O-N 3.48Å; V326-G328 VanDerWaalsContact C-N 3.34Å; V326-G328 PolarHBondContact O-N 3.39Å; V326-I329 PolarHBondContact O-N 2.92Å; V326-Q330 WeakPolarHBondContact O-CG 3.42Å; V326-Q330 PolarHBondContact O-N 3.31Å |
| 327 | A | 77.4 | Confident | 76.1 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K323 A324 V325 Q330 Q331 | K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.45Å; A324-A327 PolarHBondContact O-N 3.32Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.5Å; A327-Q330 PolarHBondContact O-N 3.04Å; A327-Q331 WeakPolarHBondContact O-CB 3.47Å; A327-Q331 PolarHBondContact O-N 3.23Å |
| 328 | G | 74.6 | Confident | 75.2 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A324 V325 V326 A332 | A324-G328 PolarHBondContact O-N 3.44Å; V325-G328 PolarHBondContact O-N 3Å; V325-G328 VanDerWaalsContact O-N 3.16Å; V326-G328 VanDerWaalsContact C-N 3.34Å; V326-G328 PolarHBondContact O-N 3.39Å; G328-A332 WeakPolarHBondContact O-CB 3.38Å; G328-A332 PolarHBondContact O-N 2.86Å |
| 329 | I | 75.9 | Confident | 74.2 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -47 | 175.7 | -63.9 | 162.7 | 0 | 0 | 0 | 111 | F111 V233 G237 M320 V325 V326 Q331 A332 H333 | F111-I329 HydrophobicContact CD2-CG2 4.28Å; F111-I329 HydrophobicContact CE2-CG2 3.93Å; V233-I329 HydrophobicContact CG1-CD1 4.47Å; V233-I329 HydrophobicContact CG1-CG2 3.81Å; V233-I329 HydrophobicContact CG2-CG2 4.11Å; G237-I329 WeakPolarHBondContact O-CD1 3.34Å; M320-I329 HydrophobicContact CE-CD1 4.17Å; V325-I329 HydrophobicContact CG1-CD1 3.91Å; V325-I329 VanDerWaalsContact O-CG1 3.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.44Å; V325-I329 PolarHBondContact O-N 2.96Å; V326-I329 PolarHBondContact O-N 2.92Å; I329-Q331 PolarHBondContact O-N 3.4Å; I329-A332 PolarHBondContact O-N 3.45Å; I329-H333 PolarHBondContact O-N 2.96Å |
| 330 | Q | 77.5 | Confident | 73.2 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 177.5 | -75.6 | 176.4 | -28.5 | 0 | 0 | 111.1 | E109 E152 V326 A327 A332 H333 A334 | E109-Q330 PolarHBondContact OE2-NE2 2.97Å; E152-Q330 HydrophobicContact CG-CG 4.37Å; E152-Q330 WeakPolarHBondContact OE1-CB 3.4Å; V326-Q330 WeakPolarHBondContact O-CG 3.42Å; V326-Q330 PolarHBondContact O-N 3.31Å; A327-Q330 PolarHBondContact O-N 3.04Å; Q330-A332 PolarHBondContact O-N 3.14Å; Q330-H333 PolarHBondContact O-N 3.39Å; Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 2.92Å |
| 331 | Q | 77.4 | Confident | 72.2 | Confident | 110 Ų | 110 | 51.1 Ų | 51.1 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 177 | -176.4 | 179 | -9.6 | 0 | 0 | 112 | A327 I329 H333 A334 E335 | A327-Q331 WeakPolarHBondContact O-CB 3.47Å; A327-Q331 PolarHBondContact O-N 3.23Å; I329-Q331 PolarHBondContact O-N 3.4Å; Q331-H333 VanDerWaalsContact C-N 3.33Å; Q331-H333 PolarHBondContact O-N 2.82Å; Q331-A334 PolarHBondContact O-N 3.43Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.28Å; Q331-E335 WeakPolarHBondContact O-CG 3.43Å; Q331-E335 PolarHBondContact O-N 3.04Å |
| 332 | A | 72.3 | Confident | 71.1 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M254 G328 I329 Q330 Q336 | M254-A332 HydrophobicContact CE-CB 4.41Å; G328-A332 WeakPolarHBondContact O-CB 3.38Å; G328-A332 PolarHBondContact O-N 2.86Å; I329-A332 PolarHBondContact O-N 3.45Å; Q330-A332 PolarHBondContact O-N 3.14Å; A332-Q336 WeakPolarHBondContact O-CB 3.45Å; A332-Q336 PolarHBondContact O-N 3.36Å |
| 333 | H | 73.5 | Confident | 69.8 | Low | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 178.2 | -168.3 | -173.6 | 0 | 0 | 0 | 111.8 | L149 P151 S226 I329 Q330 Q331 E335 Q336 L337 | L149-H333 PolarHBondContact O-CE1 2.82Å; P151-H333 WeakPolarHBondContact CD-ND1 3.38Å; S226-H333 PolarHBondContact OG-NE2 2.97Å; I329-H333 PolarHBondContact O-N 2.96Å; Q330-H333 PolarHBondContact O-N 3.39Å; Q331-H333 VanDerWaalsContact C-N 3.33Å; Q331-H333 PolarHBondContact O-N 2.82Å; H333-E335 VanDerWaalsContact C-N 3.33Å; H333-E335 PolarHBondContact O-N 2.97Å; H333-Q336 PolarHBondContact O-N 3.37Å; H333-L337 WeakPolarHBondContact O-CB 3.23Å; H333-L337 PolarHBondContact O-N 3.35Å |
| 334 | A | 73.2 | Confident | 68.7 | Low | 35 Ų | 35 | 47.9 Ų | 47.9 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q330 Q331 L337 A338 | Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 2.92Å; Q331-A334 PolarHBondContact O-N 3.43Å; A334-L337 PolarHBondContact O-N 3.19Å; A334-A338 PolarHBondContact O-N 3.41Å |
| 335 | E | 69.4 | Low | 67.2 | Low | 51 Ų | 51 | 50.7 Ų | 50.7 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 175.8 | -72.3 | 179.6 | -164.8 | 0 | 0 | 112.3 | I250 Q331 H333 A338 N339 | I250-E335 HydrophobicContact CD1-CB 4.09Å; I250-E335 HydrophobicContact CG1-CB 4.21Å; I250-E335 WeakPolarHBondContact CG1-OE2 3.46Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.28Å; Q331-E335 WeakPolarHBondContact O-CG 3.43Å; Q331-E335 PolarHBondContact O-N 3.04Å; H333-E335 VanDerWaalsContact C-N 3.33Å; H333-E335 PolarHBondContact O-N 2.97Å; E335-A338 PolarHBondContact O-N 3.27Å; E335-N339 PolarHBondContact O-N 2.92Å; E335-N339 PolarHBondContact O-ND2 3.46Å |
| 336 | Q | 69.2 | Low | 65.6 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.1 | 179.4 | 169.2 | 10.8 | 0 | 0 | 111.5 | I258 A332 H333 A338 N339 M340 | I258-Q336 HydrophobicContact CD1-CG 4.06Å; A332-Q336 WeakPolarHBondContact O-CB 3.45Å; A332-Q336 PolarHBondContact O-N 3.36Å; H333-Q336 PolarHBondContact O-N 3.37Å; Q336-A338 PolarHBondContact O-N 2.94Å; Q336-N339 PolarHBondContact O-N 3.03Å; Q336-M340 HydrophobicContact CG-SD 4.16Å; Q336-M340 WeakPolarHBondContact O-CG 3.32Å; Q336-M340 PolarHBondContact O-N 2.97Å |
| 337 | L | 67.9 | Low | 64 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -45 | 175.4 | -88 | 170 | 0 | 0 | 0 | 112.5 | L149 K150 S226 H333 A334 N339 M340 R341 | L149-L337 WeakPolarHBondContact O-CD1 3.49Å; K150-L337 HydrophobicContact CB-CD1 3.73Å; S226-L337 WeakPolarHBondContact OG-CD2 3.25Å; H333-L337 WeakPolarHBondContact O-CB 3.23Å; H333-L337 PolarHBondContact O-N 3.35Å; A334-L337 PolarHBondContact O-N 3.19Å; L337-N339 PolarHBondContact O-N 3.21Å; L337-M340 PolarHBondContact O-N 2.79Å; L337-M340 VanDerWaalsContact O-N 3.15Å; L337-R341 WeakPolarHBondContact O-CG 3.13Å; L337-R341 PolarHBondContact O-N 3.24Å |
| 338 | A | 66.6 | Low | 62.3 | Low | 53 Ų | 53 | 64.5 Ų | 64.5 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A334 E335 Q336 | A334-A338 PolarHBondContact O-N 3.41Å; E335-A338 PolarHBondContact O-N 3.27Å; Q336-A338 PolarHBondContact O-N 2.94Å |
| 339 | N | 63.1 | Low | 61 | Low | 114 Ų | 114 | 69.8 Ų | 69.8 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -80.1 | -28.6 | 177.6 | -71.5 | -61.8 | 0 | 0 | 0 | 113.7 | I250 E335 Q336 L337 | I250-N339 WeakPolarHBondContact CD1-ND2 3.25Å; E335-N339 PolarHBondContact O-N 2.92Å; E335-N339 PolarHBondContact O-ND2 3.46Å; Q336-N339 PolarHBondContact O-N 3.03Å; L337-N339 PolarHBondContact O-N 3.21Å |
| 340 | M | 60.9 | Low | 59.7 | Low | 27 Ų | 27 | 76.5 Ų | 76.5 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -80.9 | -19.6 | 175.3 | -69.7 | -174.3 | 65.8 | 0 | 0 | 112.8 | Y218 W225 Q336 L337 I342 | Y218-M340 WeakPolarHBondContact CE1-O 3.09Å; Y218-M340 PolarHBondContact OH-O 2.92Å; W225-M340 HydrophobicContact CB-CE 3.82Å; W225-M340 HydrophobicContact CD2-CE 3.82Å; W225-M340 HydrophobicContact CD2-SD 4.13Å; W225-M340 HydrophobicContact CG-CE 3.47Å; W225-M340 VanDerWaalsContact CG-CE 3.47Å; W225-M340 HydrophobicContact CG-SD 3.84Å; W225-M340 PolarHBondContact NE1-SD 3Å; W225-M340 VanDerWaalsContact NE1-SD 3.41Å; Q336-M340 HydrophobicContact CG-SD 4.16Å; Q336-M340 WeakPolarHBondContact O-CG 3.32Å; Q336-M340 PolarHBondContact O-N 2.97Å; L337-M340 PolarHBondContact O-N 2.79Å; L337-M340 VanDerWaalsContact O-N 3.15Å; M340-I342 PolarHBondContact O-N 3.47Å |
| 341 | R | 61 | Low | 58.7 | Low | 37 Ų | 37 | 78.5 Ų | 78.5 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -70.6 | 125 | 174.5 | -77.8 | 176.7 | -171.9 | 147.2 | 45.5 | 110.6 | R147 D148 F172 L337 Q343 | R147-R341 VanDerWaalsContact O-CZ 3.24Å; R147-R341 PolarHBondContact O-NE 3.05Å; R147-R341 PolarHBondContact O-NH2 3.39Å; D148-R341 VanDerWaalsContact CB-NH2 3.29Å; D148-R341 IonicContact OD1-CZ 3.87Å; D148-R341 IonicContact OD1-NH1 3.56Å; D148-R341 IonicContact OD1-NH2 2.88Å; D148-R341 PolarHBondContact OD1-NH2 3.45Å; D148-R341 IonicContact OD2-NH1 3.59Å; D148-R341 IonicContact OD2-NH2 3.86Å; F172-R341 VanDerWaalsContact CE1-NH1 3.34Å; F172-R341 VanDerWaalsContact CG-NH1 3.28Å; F172-R341 VanDerWaalsContact CZ-NH1 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.13Å; L337-R341 PolarHBondContact O-N 3.24Å; R341-Q343 PolarHBondContact O-N 3.02Å |
| 342 | I | 56.5 | Low | 57.4 | Low | 57 Ų | 57 | 78.9 Ų | 78.9 | 29% | 0.292 | 42% | 0.423 | S | S | . | . | trans | -68.7 | 114.1 | 158.6 | -63.3 | 169 | 0 | 0 | 0 | 106.7 | V194 Y218 M340 D344 | V194-I342 HydrophobicContact CG2-CD1 3.99Å; V194-I342 HydrophobicContact CG2-CG1 4.44Å; Y218-I342 HydrophobicContact CD1-CD1 3.41Å; Y218-I342 VanDerWaalsContact CD1-CD1 3.41Å; Y218-I342 HydrophobicContact CD1-CG1 3.97Å; Y218-I342 HydrophobicContact CE1-CD1 3.5Å; Y218-I342 VanDerWaalsContact CE1-CD1 3.5Å; Y218-I342 HydrophobicContact CE1-CG1 3.53Å; Y218-I342 HydrophobicContact CG-CD1 4.03Å; M340-I342 PolarHBondContact O-N 3.47Å; I342-D344 PolarHBondContact O-N 3.48Å | ||
| 343 | Q | 50.1 | Low | 56.7 | Low | 140 Ų | 140 | 85.8 Ų | 85.8 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | trans | -65.7 | 125.9 | 173.6 | -69.1 | -178.2 | 4.6 | 0 | 0 | 108.9 | R341 L345 | R341-Q343 PolarHBondContact O-N 3.02Å; Q343-L345 HydrophobicContact CB-CD1 3.88Å; Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 3.45Å | ||
| 344 | D | 51 | Low | 55.6 | Low | 91 Ų | 91 | 88.3 Ų | 88.3 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | trans | -71.7 | 72.2 | 171.4 | -64.3 | -70.9 | 0 | 0 | 0 | 108.9 | R147 K174 I342 K346 | R147-D344 IonicContact CZ-OD2 3.94Å; R147-D344 IonicContact NH1-OD1 3.91Å; R147-D344 IonicContact NH1-OD2 3.88Å; R147-D344 PolarHBondContact NH1-OD2 3.11Å; R147-D344 VanDerWaalsContact NH1-OD2 3.07Å; R147-D344 IonicContact NH2-OD2 2.63Å; R147-D344 PolarHBondContact NH2-OD2 2.95Å; K174-D344 IonicContact NZ-OD1 3.82Å; K174-D344 PolarHBondContact NZ-OD1 3.04Å; I342-D344 PolarHBondContact O-N 3.48Å; D344-K346 VanDerWaalsContact C-N 3.28Å; D344-K346 PolarHBondContact O-N 3.48Å | ||
| 345 | L | 44.1 | Very low | 55 | Low | 125 Ų | 125 | 89 Ų | 89 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | trans | -71 | 82.3 | 176.9 | -89.1 | 137.4 | 0 | 0 | 0 | 109.2 | Q343 V347 | Q343-L345 HydrophobicContact CB-CD1 3.88Å; Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 3.45Å; L345-V347 HydrophobicContact CB-CG2 4.06Å; L345-V347 HydrophobicContact CD2-CG2 3.53Å; L345-V347 HydrophobicContact CG-CG2 4.43Å; L345-V347 PolarHBondContact O-N 3.43Å | ||
| 346 | K | 40.4 | Very low | 54.3 | Low | 204 Ų | 204 | 92.2 Ų | 92.2 | 89% | 0.887 | 49% | 0.489 | S | S | * | . | trans | -73.3 | 78.7 | 158.2 | -87.4 | -171.3 | 174.8 | -177.5 | 0 | 108.3 | D344 S348 | D344-K346 VanDerWaalsContact C-N 3.28Å; D344-K346 PolarHBondContact O-N 3.48Å; K346-S348 PolarHBondContact O-N 3.22Å | ||
| 347 | V | 42.3 | Very low | 54 | Low | 94 Ų | 94 | 95 Ų | 95 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | trans | -85.2 | 103 | 170.4 | -172.9 | 0 | 0 | 0 | 0 | 107.4 | L345 L349 | L345-V347 HydrophobicContact CB-CG2 4.06Å; L345-V347 HydrophobicContact CD2-CG2 3.53Å; L345-V347 HydrophobicContact CG-CG2 4.43Å; L345-V347 PolarHBondContact O-N 3.43Å; V347-L349 PolarHBondContact O-N 2.69Å | ||
| 348 | S | 42.5 | Very low | 53.5 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | trans | -79.1 | 113.2 | 163 | 60 | 0 | 0 | 0 | 0 | 107.7 | K346 K350 | K346-S348 PolarHBondContact O-N 3.22Å; S348-K350 PolarHBondContact O-N 3.05Å | ||
| 349 | L | 46.4 | Very low | 53.3 | Low | 150 Ų | 150 | 99.8 Ų | 99.8 | 79% | 0.785 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 127.2 | 169.5 | -66.5 | 174.2 | 0 | 0 | 0 | 108.2 | V347 | V347-L349 PolarHBondContact O-N 2.69Š|
| 350 | K | 48.9 | Very low | 53.2 | Low | 149 Ų | 149 | 96.8 Ų | 96.8 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 145 | 171.2 | -66.3 | -176.7 | 179.4 | -177.5 | 0 | 108.4 | S348 L352 S354 V355 | S348-K350 PolarHBondContact O-N 3.05Å; K350-L352 PolarHBondContact O-N 2.91Å; K350-S354 WeakPolarHBondContact CB-OG 3.39Å; K350-V355 HydrophobicContact CB-CG2 3.64Å; K350-V355 WeakPolarHBondContact O-CG2 3.36Å |
| 351 | P | 55.8 | Low | 53.3 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 140 | 172.6 | -27.8 | 34.6 | 0 | 0 | 0 | 111.2 | H353 S354 V355 | P351-H353 WeakPolarHBondContact CB-CE1 3.42Å; P351-H353 PolarHBondContact O-N 2.92Å; P351-S354 WeakPolarHBondContact CD-OG 3.23Å; P351-S354 WeakPolarHBondContact O-CA 3.24Å; P351-S354 PolarHBondContact O-N 3.36Å; P351-S354 PolarHBondContact O-OG 3.14Å; P351-V355 PolarHBondContact O-N 3.34Å |
| 352 | L | 50.4 | Low | 53.2 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -53.2 | -30.6 | -170.4 | -164.9 | 69 | 0 | 0 | 0 | 114 | K350 S354 L360 | K350-L352 PolarHBondContact O-N 2.91Å; L352-S354 VanDerWaalsContact C-N 3.29Å; L352-S354 PolarHBondContact O-N 3.1Å; L352-L360 HydrophobicContact CD1-CD1 3.91Å; L352-L360 HydrophobicContact CD1-CD2 3.66Å; L352-L360 HydrophobicContact CD1-CG 4.46Å; L352-L360 HydrophobicContact CG-CD2 4.41Å |
| 353 | H | 57.8 | Low | 53.6 | Low | 163 Ų | 163 | 107 Ų | 107 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -70.5 | -21.4 | 177.2 | 60.8 | -100.4 | 0 | 0 | 0 | 114 | P351 | P351-H353 WeakPolarHBondContact CB-CE1 3.42Å; P351-H353 PolarHBondContact O-N 2.92Å |
| 354 | S | 50.3 | Low | 54.3 | Low | 58 Ų | 58 | 106.7 Ų | 106.7 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -105.7 | -1.5 | -177.7 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | K350 P351 L352 | K350-S354 WeakPolarHBondContact CB-OG 3.39Å; P351-S354 WeakPolarHBondContact CD-OG 3.23Å; P351-S354 WeakPolarHBondContact O-CA 3.24Å; P351-S354 PolarHBondContact O-N 3.36Å; P351-S354 PolarHBondContact O-OG 3.14Å; L352-S354 VanDerWaalsContact C-N 3.29Å; L352-S354 PolarHBondContact O-N 3.1Å |
| 355 | V | 60.8 | Low | 54.7 | Low | 49 Ų | 49 | 104.4 Ų | 104.4 | 30% | 0.297 | 53% | 0.528 | S | S | . | . | trans | -89.1 | 123 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | K350 P351 N357 L360 | K350-V355 HydrophobicContact CB-CG2 3.64Å; K350-V355 WeakPolarHBondContact O-CG2 3.36Å; P351-V355 PolarHBondContact O-N 3.34Å; V355-N357 HydrophobicContact CG1-CB 3.97Å; V355-L360 HydrophobicContact CB-CD1 4.35Å; V355-L360 HydrophobicContact CG1-CD1 3.83Å | ||
| 356 | N | 54.2 | Low | 55.4 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | trans | -106.3 | 92.5 | 174.4 | -168.3 | 26.7 | 0 | 0 | 0 | 110.2 | R361 | N356-R361 PolarHBondContact ND2-NH2 2.85Å; N356-R361 PolarHBondContact OD1-NE 3.4Å; N356-R361 PolarHBondContact OD1-NH2 3.25Å | ||
| 357 | N | 63 | Low | 56.2 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | trans | -127.9 | 133.3 | -176.4 | 178.4 | -59.4 | 0 | 0 | 0 | 110.8 | V355 I359 L360 R361 | V355-N357 HydrophobicContact CG1-CB 3.97Å; N357-I359 VanDerWaalsContact C-N 3.29Å; N357-I359 PolarHBondContact O-N 3.33Å; N357-I359 WeakPolarHBondContact OD1-CB 3.22Å; N357-I359 PolarHBondContact OD1-N 3.21Å; N357-L360 HydrophobicContact CB-CB 4.2Å; N357-L360 HydrophobicContact CB-CD1 4.06Å; N357-L360 WeakPolarHBondContact O-CB 3.2Å; N357-L360 PolarHBondContact O-N 2.94Å; N357-L360 VanDerWaalsContact O-N 3.1Å; N357-R361 WeakPolarHBondContact O-CG 3.45Å; N357-R361 PolarHBondContact O-N 3.22Å | ||
| 358 | P | 57.9 | Low | 56.5 | Low | 65 Ų | 65 | 95.9 Ų | 95.9 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.3 | -36.7 | -178.4 | -27.3 | 34.7 | 0 | 0 | 0 | 115 | R361 K362 L402 | P358-R361 PolarHBondContact O-N 3.21Å; P358-K362 PolarHBondContact O-N 3.44Å; P358-L402 HydrophobicContact CB-CD2 4.46Å |
| 359 | I | 61.8 | Low | 56.8 | Low | 93 Ų | 93 | 100 Ų | 100 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 179 | -59 | 171.8 | 0 | 0 | 0 | 110.7 | N357 R361 K362 R363 | N357-I359 VanDerWaalsContact C-N 3.29Å; N357-I359 PolarHBondContact O-N 3.33Å; N357-I359 WeakPolarHBondContact OD1-CB 3.22Å; N357-I359 PolarHBondContact OD1-N 3.21Å; I359-R361 VanDerWaalsContact C-N 3.33Å; I359-K362 PolarHBondContact O-N 2.83Å; I359-R363 PolarHBondContact O-N 3.08Å |
| 360 | L | 60.9 | Low | 56.4 | Low | 51 Ų | 51 | 99 Ų | 99 | 27% | 0.267 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.5 | -91.2 | 157.6 | 0 | 0 | 0 | 111.5 | L352 V355 N357 R363 K364 | L352-L360 HydrophobicContact CD1-CD1 3.91Å; L352-L360 HydrophobicContact CD1-CD2 3.66Å; L352-L360 HydrophobicContact CD1-CG 4.46Å; L352-L360 HydrophobicContact CG-CD2 4.41Å; V355-L360 HydrophobicContact CB-CD1 4.35Å; V355-L360 HydrophobicContact CG1-CD1 3.83Å; N357-L360 HydrophobicContact CB-CB 4.2Å; N357-L360 HydrophobicContact CB-CD1 4.06Å; N357-L360 WeakPolarHBondContact O-CB 3.2Å; N357-L360 PolarHBondContact O-N 2.94Å; N357-L360 VanDerWaalsContact O-N 3.1Å; L360-R363 PolarHBondContact O-N 3.05Å; L360-K364 WeakPolarHBondContact O-CG 3.48Å; L360-K364 PolarHBondContact O-N 2.98Å |
| 361 | R | 63.1 | Low | 55.9 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -49 | 172.5 | -69.5 | 175.2 | 177 | -165.1 | -11.9 | 111.4 | N356 N357 P358 I359 R363 K364 L365 | N356-R361 PolarHBondContact ND2-NH2 2.85Å; N356-R361 PolarHBondContact OD1-NE 3.4Å; N356-R361 PolarHBondContact OD1-NH2 3.25Å; N357-R361 WeakPolarHBondContact O-CG 3.45Å; N357-R361 PolarHBondContact O-N 3.22Å; P358-R361 PolarHBondContact O-N 3.21Å; I359-R361 VanDerWaalsContact C-N 3.33Å; R361-R363 VanDerWaalsContact C-N 3.33Å; R361-R363 PolarHBondContact O-N 3.16Å; R361-K364 PolarHBondContact O-N 3.17Å; R361-L365 WeakPolarHBondContact O-CB 3.43Å; R361-L365 WeakPolarHBondContact O-CG 3.43Å; R361-L365 PolarHBondContact O-N 3.31Å |
| 362 | K | 60.1 | Low | 54.9 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 23% | 0.23 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 177.3 | -176.4 | 165.9 | 178.3 | 174.1 | 0 | 112.2 | P358 I359 L365 L366 I401 L402 | P358-K362 PolarHBondContact O-N 3.44Å; I359-K362 PolarHBondContact O-N 2.83Å; K362-L365 PolarHBondContact O-N 2.93Å; K362-L366 HydrophobicContact CD-CD1 4.19Å; K362-L366 HydrophobicContact CG-CD1 3.5Å; K362-L366 HydrophobicContact CG-CG 4.25Å; K362-L366 WeakPolarHBondContact O-CB 3.41Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.31Å; K362-L366 PolarHBondContact O-N 2.95Å; K362-I401 HydrophobicContact CB-CD1 4.35Å; K362-I401 HydrophobicContact CB-CG2 4.03Å; K362-L402 HydrophobicContact CB-CD1 4.42Å; K362-L402 HydrophobicContact CD-CD1 3.69Å |
| 363 | R | 63.6 | Low | 54 | Low | 191 Ų | 191 | 104.9 Ų | 104.9 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.1 | -33.4 | 178.5 | -74.9 | -172.6 | 172.7 | 143.7 | -0.5 | 114.1 | I359 L360 R361 | I359-R363 PolarHBondContact O-N 3.08Å; L360-R363 PolarHBondContact O-N 3.05Å; R361-R363 VanDerWaalsContact C-N 3.33Å; R361-R363 PolarHBondContact O-N 3.16Å |
| 364 | K | 64.6 | Low | 52.7 | Low | 133 Ų | 133 | 103.8 Ų | 103.8 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | 173.3 | -75.4 | -176.9 | 178.9 | -175.4 | 0 | 112.2 | L360 R361 | L360-K364 WeakPolarHBondContact O-CG 3.48Å; L360-K364 PolarHBondContact O-N 2.98Å; R361-K364 PolarHBondContact O-N 3.17Å |
| 365 | L | 59.5 | Low | 51.9 | Low | 42 Ų | 42 | 111.4 Ų | 111.4 | 22% | 0.22 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -79.4 | -32.5 | -177.7 | -72.1 | 166.1 | 0 | 0 | 0 | 112.9 | R361 K362 G367 I397 I401 K460 | R361-L365 WeakPolarHBondContact O-CB 3.43Å; R361-L365 WeakPolarHBondContact O-CG 3.43Å; R361-L365 PolarHBondContact O-N 3.31Å; K362-L365 PolarHBondContact O-N 2.93Å; L365-G367 VanDerWaalsContact C-N 3.35Å; L365-I397 HydrophobicContact CB-CG2 4.17Å; L365-I401 HydrophobicContact CB-CD1 4.12Å; L365-I401 HydrophobicContact CD1-CD1 3.39Å; L365-I401 HydrophobicContact CD1-CG1 4.12Å; L365-I401 HydrophobicContact CG-CD1 4.37Å; L365-K460 HydrophobicContact CB-CD 4.24Å; L365-K460 HydrophobicContact CD2-CD 3.43Å; L365-K460 VanDerWaalsContact CD2-CD 3.43Å; L365-K460 HydrophobicContact CG-CD 4.42Å; L365-K460 WeakPolarHBondContact O-CD 3.38Å; L365-K460 WeakPolarHBondContact O-CE 3.2Å |
| 366 | L | 60.2 | Low | 50.5 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 31% | 0.314 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -81.1 | -8.2 | 179.7 | -71.1 | 172.1 | 0 | 0 | 0 | 114.9 | K362 R394 I397 | K362-L366 HydrophobicContact CD-CD1 4.19Å; K362-L366 HydrophobicContact CG-CD1 3.5Å; K362-L366 HydrophobicContact CG-CG 4.25Å; K362-L366 WeakPolarHBondContact O-CB 3.41Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.31Å; K362-L366 PolarHBondContact O-N 2.95Å; L366-R394 HydrophobicContact CD2-CB 4.07Å; L366-R394 HydrophobicContact CD2-CG 4.19Å; L366-I397 HydrophobicContact CD2-CG2 4.47Å |
| 367 | G | 55.4 | Low | 49.6 | Very low | 47 Ų | 47 | 118.9 Ų | 118.9 | 49% | 0.485 | 60% | 0.604 | S | S | . | * | trans | 65.4 | 161 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L365 | L365-G367 VanDerWaalsContact C-N 3.35Š| ||
| 368 | T | 50.2 | Low | 47.9 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 84% | 0.84 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.5 | 166.5 | 43.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 369 | K | 47.3 | Very low | 47.2 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 131 | 166.1 | -72.3 | -171.7 | 175.4 | -169.4 | 0 | 108.4 | K371 | K369-K371 PolarHBondContact O-N 3.27Å; K369-K371 VanDerWaalsContact O-N 3.11Å |
| 370 | P | 38.1 | Very low | 45.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.1 | 163.4 | -14.7 | 27.7 | 0 | 0 | 0 | 107.2 | ||
| 371 | K | 38.9 | Very low | 45 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -85.4 | 114.3 | 159.4 | -82 | -176.3 | 172.6 | -174.9 | 0 | 105.5 | K369 | K369-K371 PolarHBondContact O-N 3.27Å; K369-K371 VanDerWaalsContact O-N 3.11Å | ||
| 372 | D | 35.7 | Very low | 44 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 158.9 | 97.8 | 130.7 | -77.3 | -16.5 | 0 | 0 | 0 | 110.4 | ||||
| 373 | S | 30.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -167 | 113.8 | 143.5 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 374 | V | 31.2 | Very low | 42.7 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -16.6 | 139.1 | 156.2 | -177 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 375 | Y | 33.1 | Very low | 42.1 | Very low | 217 Ų | 217 | 138 Ų | 138 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -44.9 | 130.4 | 164.5 | -85.6 | -95.4 | 0 | 0 | 0 | 113.3 | ||||
| 376 | I | 31.7 | Very low | 42 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | -150.8 | 130.3 | 129.7 | -62.2 | -166.5 | 0 | 0 | 0 | 107.6 | |||||
| 377 | H | 34.9 | Very low | 42.3 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | -70.8 | 123.6 | 162.9 | -108 | -69.1 | 0 | 0 | 0 | 108.3 | ||||
| 378 | D | 28 | Very low | 43.3 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -143.4 | 131.9 | 153.8 | -103.5 | -31 | 0 | 0 | 0 | 110.6 | E380 | D378-E380 PolarHBondContact O-N 3.4Š| ||
| 379 | H | 41.7 | Very low | 44.6 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 85% | 0.852 | 71% | 0.712 | S | S | * | * | trans | -82.4 | 102.9 | 176 | -114.2 | -76.3 | 0 | 0 | 0 | 107.5 | ||||
| 380 | E | 35.8 | Very low | 46.1 | Very low | 191 Ų | 191 | 124.9 Ų | 124.9 | 89% | 0.893 | 68% | 0.675 | S | S | * | * | trans | -165.6 | 121.7 | 153.3 | -110.3 | 167.9 | -157.8 | 0 | 0 | 112.3 | D378 | D378-E380 PolarHBondContact O-N 3.4Š| ||
| 381 | N | 41.9 | Very low | 48.1 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 91% | 0.909 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -16.4 | 133 | 174 | -66.7 | -37.5 | 0 | 0 | 0 | 120.2 | ||
| 382 | G | 41.1 | Very low | 50.3 | Low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 142.9 | -24.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 383 | A | 46.4 | Very low | 52.7 | Low | 81 Ų | 81 | 109.2 Ų | 109.2 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -103.1 | -8.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 384 | E | 50.3 | Low | 55.1 | Low | 166 Ų | 166 | 108 Ų | 108 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.2 | -40 | -178.2 | -75.3 | -173.5 | 152.6 | 0 | 0 | 112.7 | S386 N387 V388 | E384-S386 PolarHBondContact O-N 2.99Å; E384-N387 PolarHBondContact O-N 2.85Å; E384-V388 WeakPolarHBondContact O-CG2 3.27Å; E384-V388 PolarHBondContact O-N 3.37Å |
| 385 | D | 52.3 | Low | 57.5 | Low | 121 Ų | 121 | 104.3 Ų | 104.3 | 65% | 0.647 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | -174.6 | -85.7 | -22.7 | 0 | 0 | 0 | 113.4 | A389 | D385-A389 VanDerWaalsContact O-CB 3.28Å; D385-A389 WeakPolarHBondContact O-CB 3.49Å; D385-A389 PolarHBondContact O-N 2.98Å |
| 386 | S | 57.6 | Low | 60 | Low | 32 Ų | 32 | 94 Ų | 94 | 22% | 0.224 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 177.5 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | E384 A389 L390 H470 | E384-S386 PolarHBondContact O-N 2.99Å; S386-A389 PolarHBondContact O-N 2.9Å; S386-L390 WeakPolarHBondContact O-CG 3.22Å; S386-L390 PolarHBondContact O-N 3.49Å; S386-H470 PolarHBondContact OG-CD2 2.88Å; S386-H470 PolarHBondContact OG-NE2 3.11Å |
| 387 | N | 66.4 | Low | 62.4 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.1 | -39.7 | 178.3 | -153.5 | 3.2 | 0 | 0 | 0 | 111.4 | E384 E391 | E384-N387 PolarHBondContact O-N 2.85Å; N387-E391 WeakPolarHBondContact O-CB 3.37Å; N387-E391 PolarHBondContact O-N 3.42Å |
| 388 | V | 75.7 | Confident | 64.5 | Low | 44 Ų | 44 | 79.4 Ų | 79.4 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | E384 L390 E391 K392 Y425 | E384-V388 WeakPolarHBondContact O-CG2 3.27Å; E384-V388 PolarHBondContact O-N 3.37Å; V388-L390 PolarHBondContact O-N 3.41Å; V388-E391 PolarHBondContact O-N 3.34Å; V388-K392 HydrophobicContact CG1-CG 4.36Å; V388-K392 WeakPolarHBondContact O-CG 3.45Å; V388-K392 PolarHBondContact O-N 3.18Å; V388-Y425 HydrophobicContact CG1-CD1 4.02Å; V388-Y425 HydrophobicContact CG1-CD2 4.42Å; V388-Y425 HydrophobicContact CG1-CE1 3.79Å; V388-Y425 HydrophobicContact CG1-CE2 4.24Å; V388-Y425 HydrophobicContact CG1-CG 4.34Å |
| 389 | A | 77.3 | Confident | 67.1 | Low | 9 Ų | 9 | 72.9 Ų | 72.9 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D385 S386 L393 N426 | D385-A389 VanDerWaalsContact O-CB 3.28Å; D385-A389 WeakPolarHBondContact O-CB 3.49Å; D385-A389 PolarHBondContact O-N 2.98Å; S386-A389 PolarHBondContact O-N 2.9Å; A389-L393 WeakPolarHBondContact O-CG 3.47Å; A389-L393 PolarHBondContact O-N 3.47Å; A389-N426 PolarHBondContact O-ND2 3.25Å |
| 390 | L | 79.5 | Confident | 69 | Low | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 176.5 | -67.1 | 174.8 | 0 | 0 | 0 | 112.4 | S386 V388 L393 R394 I463 Q466 T467 | S386-L390 WeakPolarHBondContact O-CG 3.22Å; S386-L390 PolarHBondContact O-N 3.49Å; V388-L390 PolarHBondContact O-N 3.41Å; L390-L393 PolarHBondContact O-N 3.27Å; L390-R394 WeakPolarHBondContact O-CG 3.47Å; L390-R394 PolarHBondContact O-N 3.33Å; L390-I463 HydrophobicContact CD2-CB 4.45Å; L390-I463 HydrophobicContact CD2-CG1 4.36Å; L390-I463 HydrophobicContact CD2-CG2 4.21Å; L390-Q466 HydrophobicContact CD2-CB 3.96Å; L390-T467 HydrophobicContact CD1-CG2 3.88Å; L390-T467 HydrophobicContact CD2-CG2 4.43Å |
| 391 | E | 80.8 | Confident | 70.8 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.3 | -173.5 | 173.3 | -162 | 0 | 0 | 111.3 | N387 V388 L393 R394 D395 | N387-E391 WeakPolarHBondContact O-CB 3.37Å; N387-E391 PolarHBondContact O-N 3.42Å; V388-E391 PolarHBondContact O-N 3.34Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 2.96Å; E391-R394 WeakPolarHBondContact O-CA 3.5Å; E391-R394 WeakPolarHBondContact O-CB 3.37Å; E391-R394 PolarHBondContact O-N 3.16Å; E391-D395 PolarHBondContact O-N 3.18Å |
| 392 | K | 85.2 | Confident | 72.2 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 178.2 | -62.6 | -57.4 | -179.6 | 175.6 | 0 | 113.2 | V388 D395 V396 E421 A422 Y425 | V388-K392 HydrophobicContact CG1-CG 4.36Å; V388-K392 WeakPolarHBondContact O-CG 3.45Å; V388-K392 PolarHBondContact O-N 3.18Å; K392-D395 PolarHBondContact O-N 3.26Å; K392-V396 PolarHBondContact O-N 3.16Å; K392-E421 HydrophobicContact CD-CB 4.24Å; K392-E421 IonicContact NZ-OE2 2.75Å; K392-E421 PolarHBondContact NZ-OE2 3.43Å; K392-A422 HydrophobicContact CB-CB 4.04Å; K392-Y425 HydrophobicContact CG-CD2 3.9Å; K392-Y425 HydrophobicContact CG-CE2 4.19Å |
| 393 | L | 84.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 171.6 | -68 | 171.9 | 0 | 0 | 0 | 112.1 | A389 L390 E391 D395 V396 I397 A422 N426 L432 V459 V462 I463 | A389-L393 WeakPolarHBondContact O-CG 3.47Å; A389-L393 PolarHBondContact O-N 3.47Å; L390-L393 PolarHBondContact O-N 3.27Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 2.96Å; L393-D395 VanDerWaalsContact C-N 3.31Å; L393-D395 PolarHBondContact O-N 3.28Å; L393-V396 WeakPolarHBondContact O-CB 3.28Å; L393-V396 PolarHBondContact O-N 2.89Å; L393-I397 PolarHBondContact O-N 3.17Å; L393-A422 HydrophobicContact CD2-CB 4.09Å; L393-N426 VanDerWaalsContact CD1-OD1 3.31Å; L393-N426 WeakPolarHBondContact CD1-OD1 3.35Å; L393-N426 HydrophobicContact CD2-CB 4.49Å; L393-L432 HydrophobicContact CD2-CD1 4.11Å; L393-L432 HydrophobicContact CD2-CD2 3.98Å; L393-V459 HydrophobicContact CB-CG1 3.9Å; L393-V459 HydrophobicContact CD2-CG1 3.92Å; L393-V459 HydrophobicContact CG-CG1 4.46Å; L393-V459 WeakPolarHBondContact O-CG1 3.45Å; L393-V462 HydrophobicContact CD1-CG1 3.82Å; L393-I463 HydrophobicContact CB-CD1 3.75Å; L393-I463 HydrophobicContact CB-CG1 3.67Å; L393-I463 HydrophobicContact CD1-CG1 3.89Å; L393-I463 HydrophobicContact CG-CG1 4.45Å |
| 394 | R | 82.1 | Confident | 74.4 | Confident | 95 Ų | 95 | 53 Ų | 53 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 174.5 | -70.1 | 170.1 | 177.6 | 157.7 | 2.3 | 112.1 | L366 L390 E391 I397 A398 I463 | L366-R394 HydrophobicContact CD2-CB 4.07Å; L366-R394 HydrophobicContact CD2-CG 4.19Å; L390-R394 WeakPolarHBondContact O-CG 3.47Å; L390-R394 PolarHBondContact O-N 3.33Å; E391-R394 WeakPolarHBondContact O-CA 3.5Å; E391-R394 WeakPolarHBondContact O-CB 3.37Å; E391-R394 PolarHBondContact O-N 3.16Å; R394-I397 PolarHBondContact O-N 2.9Å; R394-A398 WeakPolarHBondContact O-CB 3.49Å; R394-A398 PolarHBondContact O-N 2.98Å; R394-I463 HydrophobicContact CG-CD1 3.8Å |
| 395 | D | 82.7 | Confident | 74.8 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.1 | -70.5 | -22.6 | 0 | 0 | 0 | 111.6 | E391 K392 L393 I397 A398 Q399 V418 | E391-D395 PolarHBondContact O-N 3.18Å; K392-D395 PolarHBondContact O-N 3.26Å; L393-D395 VanDerWaalsContact C-N 3.31Å; L393-D395 PolarHBondContact O-N 3.28Å; D395-I397 PolarHBondContact O-N 3.03Å; D395-A398 WeakPolarHBondContact O-CB 3.45Å; D395-A398 PolarHBondContact O-N 3.46Å; D395-Q399 PolarHBondContact O-N 3.17Å; D395-V418 VanDerWaalsContact C-CG1 3.47Å; D395-V418 HydrophobicContact CB-CG1 3.72Å |
| 396 | V | 84.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | K392 L393 A398 Q399 C400 V418 M419 A422 L455 V459 | K392-V396 PolarHBondContact O-N 3.16Å; L393-V396 WeakPolarHBondContact O-CB 3.28Å; L393-V396 PolarHBondContact O-N 2.89Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 2.9Å; V396-Q399 PolarHBondContact O-N 3.22Å; V396-C400 WeakPolarHBondContact O-CB 3.2Å; V396-C400 PolarHBondContact O-N 3.33Å; V396-C400 PolarHBondContact O-SG 3.39Å; V396-C400 VanDerWaalsContact O-SG 3.41Å; V396-V418 HydrophobicContact CB-CG1 4.39Å; V396-V418 HydrophobicContact CG2-CG1 3.82Å; V396-M419 HydrophobicContact CB-SD 4.46Å; V396-M419 HydrophobicContact CG1-SD 3.75Å; V396-M419 HydrophobicContact CG2-CB 4.47Å; V396-M419 HydrophobicContact CG2-SD 3.84Å; V396-A422 HydrophobicContact CG2-CB 3.54Å; V396-L455 HydrophobicContact CG1-CD2 4.38Å; V396-V459 HydrophobicContact CG1-CG2 4.25Å |
| 397 | I | 82.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.8 | -66.7 | 175.4 | 0 | 0 | 0 | 110.5 | L365 L366 L393 R394 D395 C400 I401 A456 V459 K460 I463 | L365-I397 HydrophobicContact CB-CG2 4.17Å; L366-I397 HydrophobicContact CD2-CG2 4.47Å; L393-I397 PolarHBondContact O-N 3.17Å; R394-I397 PolarHBondContact O-N 2.9Å; D395-I397 PolarHBondContact O-N 3.03Å; I397-C400 PolarHBondContact O-N 3.41Å; I397-I401 HydrophobicContact CG2-CD1 3.53Å; I397-I401 HydrophobicContact CG2-CG1 4.48Å; I397-I401 WeakPolarHBondContact O-CD1 3.05Å; I397-I401 VanDerWaalsContact O-CG1 3.22Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.18Å; I397-I401 VanDerWaalsContact O-N 3.16Å; I397-A456 HydrophobicContact CG2-CB 4.41Å; I397-V459 HydrophobicContact CD1-CB 4.46Å; I397-V459 HydrophobicContact CD1-CG1 4.04Å; I397-V459 HydrophobicContact CG1-CB 4.1Å; I397-V459 HydrophobicContact CG1-CG1 3.77Å; I397-K460 HydrophobicContact CD1-CB 3.97Å; I397-I463 HydrophobicContact CD1-CD1 3.61Å |
| 398 | A | 78.9 | Confident | 74.1 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | R394 D395 V396 I401 L402 | R394-A398 WeakPolarHBondContact O-CB 3.49Å; R394-A398 PolarHBondContact O-N 2.98Å; D395-A398 WeakPolarHBondContact O-CB 3.45Å; D395-A398 PolarHBondContact O-N 3.46Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 2.9Å; A398-I401 PolarHBondContact O-N 3.04Å; A398-L402 CarbonylContact O-C 3.5Å; A398-L402 PolarHBondContact O-N 3.03Å |
| 399 | Q | 82.3 | Confident | 73.4 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -34 | 179.6 | -172.6 | 60.9 | 11.8 | 0 | 0 | 112.4 | D395 V396 P403 L415 V418 | D395-Q399 PolarHBondContact O-N 3.17Å; V396-Q399 PolarHBondContact O-N 3.22Å; Q399-P403 WeakPolarHBondContact O-CA 3.42Å; Q399-L415 HydrophobicContact CB-CD1 4.4Å; Q399-L415 HydrophobicContact CG-CB 4.34Å; Q399-L415 HydrophobicContact CG-CD1 4.15Å; Q399-V418 HydrophobicContact CG-CG2 4.45Å |
| 400 | C | 81.1 | Confident | 73.4 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -34.4 | 174.4 | -78.7 | 0 | 0 | 0 | 0 | 113.6 | V396 I397 R452 A456 | V396-C400 WeakPolarHBondContact O-CB 3.2Å; V396-C400 PolarHBondContact O-N 3.33Å; V396-C400 PolarHBondContact O-SG 3.39Å; V396-C400 VanDerWaalsContact O-SG 3.41Å; I397-C400 PolarHBondContact O-N 3.41Å; C400-R452 HydrophobicContact CB-CB 3.97Å; C400-R452 VanDerWaalsContact CB-O 3.28Å; C400-R452 WeakPolarHBondContact CB-O 3.34Å; C400-R452 PolarHBondContact SG-O 2.97Å; C400-A456 HydrophobicContact CB-CB 3.85Å |
| 401 | I | 74.6 | Confident | 73.2 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -91.8 | -39.9 | -174.8 | -60.4 | 164.1 | 0 | 0 | 0 | 112.2 | K362 L365 I397 A398 A456 | K362-I401 HydrophobicContact CB-CD1 4.35Å; K362-I401 HydrophobicContact CB-CG2 4.03Å; L365-I401 HydrophobicContact CB-CD1 4.12Å; L365-I401 HydrophobicContact CD1-CD1 3.39Å; L365-I401 HydrophobicContact CD1-CG1 4.12Å; L365-I401 HydrophobicContact CG-CD1 4.37Å; I397-I401 HydrophobicContact CG2-CD1 3.53Å; I397-I401 HydrophobicContact CG2-CG1 4.48Å; I397-I401 WeakPolarHBondContact O-CD1 3.05Å; I397-I401 VanDerWaalsContact O-CG1 3.22Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.18Å; I397-I401 VanDerWaalsContact O-N 3.16Å; A398-I401 PolarHBondContact O-N 3.04Å; I401-A456 HydrophobicContact CG1-CB 4.49Å |
| 402 | L | 70.9 | Confident | 73.1 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -138.2 | 81.4 | -176.5 | -84.7 | 160.7 | 0 | 0 | 0 | 108.2 | P358 K362 A398 Q404 | P358-L402 HydrophobicContact CB-CD2 4.46Å; K362-L402 HydrophobicContact CB-CD1 4.42Å; K362-L402 HydrophobicContact CD-CD1 3.69Å; A398-L402 CarbonylContact O-C 3.5Å; A398-L402 PolarHBondContact O-N 3.03Å; L402-Q404 PolarHBondContact O-N 3.31Å |
| 403 | P | 72.3 | Confident | 72.9 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -58.7 | 123.2 | -179.2 | -18.9 | 30.3 | 0 | 0 | 0 | 109.8 | Q399 E411 R452 | Q399-P403 WeakPolarHBondContact O-CA 3.42Å; P403-E411 HydrophobicContact CB-CB 4.44Å; P403-E411 HydrophobicContact CB-CG 4.07Å; P403-R452 VanDerWaalsContact CG-NH1 3.26Å | ||
| 404 | Q | 61.9 | Low | 72.9 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | trans | -100.2 | 93.7 | 170.1 | -62.6 | -161.3 | 10.5 | 0 | 0 | 107.8 | L402 | L402-Q404 PolarHBondContact O-N 3.31Š| ||
| 405 | A | 59.1 | Low | 73 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | trans | -99.7 | 129.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | E409 E411 | A405-E409 HydrophobicContact CB-CB 4.24Å; A405-E411 HydrophobicContact CB-CG 4.04Å | ||
| 406 | G | 58.1 | Low | 73.2 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | trans | -58.5 | 157.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G408 E409 | G406-G408 PolarHBondContact O-N 3.29Å; G406-E409 PolarHBondContact N-OE2 3.49Å; G406-E409 PolarHBondContact O-N 3.06Å | ||
| 407 | K | 45.4 | Very low | 73.3 | Confident | 227 Ų | 227 | 65 Ų | 65 | 99% | 0.987 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 105.9 | 176.2 | -81.8 | -176.3 | 177.3 | 178.4 | 0 | 109.8 | ||
| 408 | G | 56.6 | Low | 73.5 | Confident | 86 Ų | 86 | 66 Ų | 66 | 89% | 0.887 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.6 | -0.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G406 | G406-G408 PolarHBondContact O-N 3.29Š|
| 409 | E | 62.7 | Low | 74 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | trans | -90.4 | 143.2 | 177.4 | -68 | 175.6 | 170 | 0 | 0 | 112.2 | A405 G406 | A405-E409 HydrophobicContact CB-CB 4.24Å; G406-E409 PolarHBondContact N-OE2 3.49Å; G406-E409 PolarHBondContact O-N 3.06Å | ||
| 410 | N | 75.4 | Confident | 74.2 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | trans | -79.4 | 121.8 | 175.6 | -175.7 | -5 | 0 | 0 | 0 | 110.1 | D412 E413 K414 | N410-D412 PolarHBondContact O-N 2.94Å; N410-D412 PolarHBondContact OD1-N 3.37Å; N410-E413 HydrophobicContact CB-CB 4.14Å; N410-E413 HydrophobicContact CB-CG 3.96Å; N410-E413 WeakPolarHBondContact O-CB 3.34Å; N410-E413 PolarHBondContact O-N 2.91Å; N410-E413 VanDerWaalsContact O-N 3.1Å; N410-K414 PolarHBondContact O-N 3.33Å | ||
| 411 | E | 76.3 | Confident | 74.4 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 39% | 0.388 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -31 | -177.6 | -64.1 | -176.5 | -176.9 | 0 | 0 | 113.5 | P403 A405 K414 L415 R452 | P403-E411 HydrophobicContact CB-CB 4.44Å; P403-E411 HydrophobicContact CB-CG 4.07Å; A405-E411 HydrophobicContact CB-CG 4.04Å; E411-K414 PolarHBondContact O-N 3.03Å; E411-L415 WeakPolarHBondContact O-CB 3.46Å; E411-L415 PolarHBondContact O-N 3.35Å; E411-R452 VanDerWaalsContact CB-NH2 3.28Å; E411-R452 IonicContact OE2-CZ 2.68Å; E411-R452 IonicContact OE2-NH1 3.72Å; E411-R452 PolarHBondContact OE2-NH1 2.99Å; E411-R452 IonicContact OE2-NH2 2.77Å; E411-R452 PolarHBondContact OE2-NH2 2.66Å |
| 412 | D | 79.6 | Confident | 75 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.1 | -35.1 | 177.9 | -71.3 | -26.9 | 0 | 0 | 0 | 111.5 | N410 K414 L415 N416 R452 | N410-D412 PolarHBondContact O-N 2.94Å; N410-D412 PolarHBondContact OD1-N 3.37Å; D412-K414 VanDerWaalsContact C-N 3.34Å; D412-L415 PolarHBondContact O-N 3.17Å; D412-N416 VanDerWaalsContact O-CG 3.29Å; D412-N416 PolarHBondContact O-N 3.4Å; D412-N416 PolarHBondContact O-ND2 2.91Å; D412-N416 VanDerWaalsContact O-ND2 3.13Å; D412-R452 IonicContact OD1-CZ 2.59Å; D412-R452 IonicContact OD1-NE 3.13Å; D412-R452 IonicContact OD1-NH2 2.87Å; D412-R452 PolarHBondContact OD1-NH2 3.13Å |
| 413 | E | 80.9 | Confident | 75.7 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 171.5 | -72.9 | 173.4 | -175.7 | 0 | 0 | 110.3 | N410 L415 N416 E417 | N410-E413 HydrophobicContact CB-CB 4.14Å; N410-E413 HydrophobicContact CB-CG 3.96Å; N410-E413 WeakPolarHBondContact O-CB 3.34Å; N410-E413 PolarHBondContact O-N 2.91Å; N410-E413 VanDerWaalsContact O-N 3.1Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.4Å; E413-N416 WeakPolarHBondContact O-CB 3.48Å; E413-N416 PolarHBondContact O-N 2.78Å; E413-N416 VanDerWaalsContact O-N 3.15Å; E413-E417 PolarHBondContact O-N 3.33Å |
| 414 | K | 82.5 | Confident | 76.3 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 178.1 | -165.9 | 56.9 | 170.9 | -176.8 | 0 | 112.7 | N410 E411 D412 N416 E417 V418 | N410-K414 PolarHBondContact O-N 3.33Å; E411-K414 PolarHBondContact O-N 3.03Å; D412-K414 VanDerWaalsContact C-N 3.34Å; K414-N416 VanDerWaalsContact C-N 3.35Å; K414-E417 WeakPolarHBondContact CD-OE2 3.49Å; K414-E417 IonicContact NZ-OE2 3.53Å; K414-E417 PolarHBondContact NZ-OE2 3.06Å; K414-E417 PolarHBondContact O-N 3.38Å; K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.35Å; K414-V418 PolarHBondContact O-N 3.16Å; K414-V418 VanDerWaalsContact O-N 3.09Å |
| 415 | L | 85.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.2 | -179.4 | 60.5 | 0 | 0 | 0 | 111.6 | Q399 E411 D412 E413 V418 M419 F446 V450 R452 | Q399-L415 HydrophobicContact CB-CD1 4.4Å; Q399-L415 HydrophobicContact CG-CB 4.34Å; Q399-L415 HydrophobicContact CG-CD1 4.15Å; E411-L415 WeakPolarHBondContact O-CB 3.46Å; E411-L415 PolarHBondContact O-N 3.35Å; D412-L415 PolarHBondContact O-N 3.17Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.4Å; L415-V418 PolarHBondContact O-N 3.07Å; L415-M419 VanDerWaalsContact O-CB 3.26Å; L415-M419 WeakPolarHBondContact O-CB 3.28Å; L415-M419 PolarHBondContact O-N 3.37Å; L415-F446 HydrophobicContact CD2-CE2 4.48Å; L415-F446 HydrophobicContact CG-CE2 4.24Å; L415-V450 HydrophobicContact CD2-CB 4.42Å; L415-V450 HydrophobicContact CD2-CG1 4.4Å; L415-R452 HydrophobicContact CD2-CG 3.95Å |
| 416 | N | 87.7 | Confident | 78.4 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.9 | -74.4 | -38.3 | 0 | 0 | 0 | 111.8 | D412 E413 K414 M419 Q420 G445 F446 | D412-N416 VanDerWaalsContact O-CG 3.29Å; D412-N416 PolarHBondContact O-N 3.4Å; D412-N416 PolarHBondContact O-ND2 2.91Å; D412-N416 VanDerWaalsContact O-ND2 3.13Å; E413-N416 WeakPolarHBondContact O-CB 3.48Å; E413-N416 PolarHBondContact O-N 2.78Å; E413-N416 VanDerWaalsContact O-N 3.15Å; K414-N416 VanDerWaalsContact C-N 3.35Å; N416-M419 PolarHBondContact O-N 2.87Å; N416-Q420 VanDerWaalsContact O-CB 3.25Å; N416-Q420 WeakPolarHBondContact O-CB 3.43Å; N416-Q420 PolarHBondContact O-N 3.09Å; N416-G445 VanDerWaalsContact OD1-CA 3.27Å; N416-G445 WeakPolarHBondContact OD1-CA 3.34Å; N416-F446 WeakPolarHBondContact OD1-CD2 3.31Å; N416-F446 PolarHBondContact OD1-N 3.03Å |
| 417 | E | 85.7 | Confident | 79.5 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 176.5 | -72.1 | 178.7 | 178.9 | 0 | 0 | 111.9 | E413 K414 M419 Q420 E421 | E413-E417 PolarHBondContact O-N 3.33Å; K414-E417 WeakPolarHBondContact CD-OE2 3.49Å; K414-E417 IonicContact NZ-OE2 3.53Å; K414-E417 PolarHBondContact NZ-OE2 3.06Å; K414-E417 PolarHBondContact O-N 3.38Å; E417-M419 VanDerWaalsContact C-N 3.33Å; E417-M419 PolarHBondContact O-N 3.16Å; E417-Q420 WeakPolarHBondContact O-CB 3.07Å; E417-Q420 PolarHBondContact O-N 3.27Å; E417-E421 PolarHBondContact O-N 2.85Å |
| 418 | V | 87.3 | Confident | 81.1 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | -177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | D395 V396 Q399 K414 L415 Q420 E421 A422 | D395-V418 VanDerWaalsContact C-CG1 3.47Å; D395-V418 HydrophobicContact CB-CG1 3.72Å; V396-V418 HydrophobicContact CB-CG1 4.39Å; V396-V418 HydrophobicContact CG2-CG1 3.82Å; Q399-V418 HydrophobicContact CG-CG2 4.45Å; K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.35Å; K414-V418 PolarHBondContact O-N 3.16Å; K414-V418 VanDerWaalsContact O-N 3.09Å; L415-V418 PolarHBondContact O-N 3.07Å; V418-Q420 VanDerWaalsContact C-N 3.35Å; V418-E421 PolarHBondContact O-N 2.94Å; V418-A422 PolarHBondContact O-N 3.25Å |
| 419 | M | 89 | Confident | 82.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 175.3 | -169.7 | 69.4 | -130.9 | 0 | 0 | 112.2 | V396 L415 N416 E417 A422 W423 L432 L436 W441 F446 | V396-M419 HydrophobicContact CB-SD 4.46Å; V396-M419 HydrophobicContact CG1-SD 3.75Å; V396-M419 HydrophobicContact CG2-CB 4.47Å; V396-M419 HydrophobicContact CG2-SD 3.84Å; L415-M419 VanDerWaalsContact O-CB 3.26Å; L415-M419 WeakPolarHBondContact O-CB 3.28Å; L415-M419 PolarHBondContact O-N 3.37Å; N416-M419 PolarHBondContact O-N 2.87Å; E417-M419 VanDerWaalsContact C-N 3.33Å; E417-M419 PolarHBondContact O-N 3.16Å; M419-A422 HydrophobicContact CE-CB 4.25Å; M419-A422 PolarHBondContact O-N 3.22Å; M419-W423 VanDerWaalsContact O-CB 3.3Å; M419-W423 WeakPolarHBondContact O-CB 3.31Å; M419-W423 PolarHBondContact O-N 3.37Å; M419-L432 HydrophobicContact CE-CD1 4.07Å; M419-L432 HydrophobicContact CE-CD2 4.49Å; M419-L436 HydrophobicContact CE-CD1 3.35Å; M419-L436 HydrophobicContact CE-CD2 3.71Å; M419-L436 HydrophobicContact CE-CG 3.98Å; M419-L436 HydrophobicContact CG-CD2 4.31Å; M419-L436 HydrophobicContact SD-CD1 4.45Å; M419-L436 HydrophobicContact SD-CD2 3.9Å; M419-W441 HydrophobicContact CB-CH2 3.73Å; M419-W441 HydrophobicContact CB-CZ2 4.42Å; M419-W441 HydrophobicContact CB-CZ3 3.81Å; M419-W441 HydrophobicContact CG-CD2 4.34Å; M419-W441 HydrophobicContact CG-CE3 4.03Å; M419-W441 HydrophobicContact CG-CH2 3.74Å; M419-W441 HydrophobicContact CG-CZ2 4.05Å; M419-W441 HydrophobicContact CG-CZ3 3.71Å; M419-F446 HydrophobicContact CB-CE2 3.94Å; M419-F446 HydrophobicContact CB-CZ 4.25Å; M419-F446 HydrophobicContact CG-CE2 3.84Å; M419-F446 HydrophobicContact CG-CZ 3.63Å; M419-F446 HydrophobicContact SD-CZ 4.17Å |
| 420 | Q | 86.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 176.6 | -168.3 | -178.3 | 28.4 | 0 | 0 | 111.4 | N416 E417 V418 W423 K424 W441 | N416-Q420 VanDerWaalsContact O-CB 3.25Å; N416-Q420 WeakPolarHBondContact O-CB 3.43Å; N416-Q420 PolarHBondContact O-N 3.09Å; E417-Q420 WeakPolarHBondContact O-CB 3.07Å; E417-Q420 PolarHBondContact O-N 3.27Å; V418-Q420 VanDerWaalsContact C-N 3.35Å; Q420-W423 PolarHBondContact O-N 2.68Å; Q420-K424 WeakPolarHBondContact O-CG 3.11Å; Q420-K424 PolarHBondContact O-N 3.25Å; Q420-W441 HydrophobicContact CB-CH2 4.19Å; Q420-W441 HydrophobicContact CB-CZ2 4.35Å |
| 421 | E | 85.7 | Confident | 83.4 | Confident | 85 Ų | 85 | 69 Ų | 69 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 171.5 | -68.6 | -161.1 | 159.5 | 0 | 0 | 111.2 | K392 E417 V418 W423 K424 Y425 | K392-E421 HydrophobicContact CD-CB 4.24Å; K392-E421 IonicContact NZ-OE2 2.75Å; K392-E421 PolarHBondContact NZ-OE2 3.43Å; E417-E421 PolarHBondContact O-N 2.85Å; V418-E421 PolarHBondContact O-N 2.94Å; E421-W423 VanDerWaalsContact C-N 3.29Å; E421-W423 PolarHBondContact O-N 3.21Å; E421-K424 WeakPolarHBondContact O-CB 3.39Å; E421-K424 PolarHBondContact O-N 3.11Å; E421-Y425 VanDerWaalsContact O-CD2 3.24Å; E421-Y425 WeakPolarHBondContact O-CD2 3.48Å |
| 422 | A | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K392 L393 V396 V418 M419 K424 Y425 N426 | K392-A422 HydrophobicContact CB-CB 4.04Å; L393-A422 HydrophobicContact CD2-CB 4.09Å; V396-A422 HydrophobicContact CG2-CB 3.54Å; V418-A422 PolarHBondContact O-N 3.25Å; M419-A422 HydrophobicContact CE-CB 4.25Å; M419-A422 PolarHBondContact O-N 3.22Å; A422-K424 PolarHBondContact O-N 2.95Å; A422-Y425 PolarHBondContact O-N 2.78Å; A422-N426 WeakPolarHBondContact O-CB 3.23Å; A422-N426 PolarHBondContact O-N 3.21Å; A422-N426 VanDerWaalsContact O-N 3.09Å; A422-N426 PolarHBondContact O-ND2 3.37Å |
| 423 | W | 85.9 | Confident | 83.9 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 178.1 | -177.7 | -107.6 | 0 | 0 | 0 | 113.1 | M419 Q420 E421 Y425 N426 R427 L432 R433 L436 W441 | M419-W423 VanDerWaalsContact O-CB 3.3Å; M419-W423 WeakPolarHBondContact O-CB 3.31Å; M419-W423 PolarHBondContact O-N 3.37Å; Q420-W423 PolarHBondContact O-N 2.68Å; E421-W423 VanDerWaalsContact C-N 3.29Å; E421-W423 PolarHBondContact O-N 3.21Å; W423-Y425 VanDerWaalsContact C-N 3.29Å; W423-Y425 PolarHBondContact O-N 3.27Å; W423-N426 PolarHBondContact O-N 2.89Å; W423-R427 WeakPolarHBondContact O-CB 3.35Å; W423-R427 PolarHBondContact O-N 2.96Å; W423-L432 HydrophobicContact CE3-CD2 4.19Å; W423-L432 HydrophobicContact CE3-CG 4.4Å; W423-L432 HydrophobicContact CZ3-CG 4.38Å; W423-R433 HydrophobicContact CH2-CB 4.12Å; W423-R433 HydrophobicContact CH2-CG 3.56Å; W423-R433 HydrophobicContact CZ3-CB 4.41Å; W423-R433 HydrophobicContact CZ3-CG 3.88Å; W423-L436 HydrophobicContact CD2-CD1 4.12Å; W423-L436 HydrophobicContact CE3-CD1 3.23Å; W423-L436 HydrophobicContact CH2-CD1 4.36Å; W423-L436 HydrophobicContact CZ3-CB 4.36Å; W423-L436 HydrophobicContact CZ3-CD1 3.38Å; W423-L436 HydrophobicContact CZ3-CG 4.3Å; W423-W441 HydrophobicContact CB-CZ2 4.45Å; W423-W441 AromaticContact CD2-NE1 3.84Å; W423-W441 AromaticContact CG-NE1 3.91Å |
| 424 | K | 84.4 | Confident | 84 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.4 | -42.5 | 179 | -75.5 | 171.5 | -176 | 174.1 | 0 | 112.1 | Q420 E421 A422 | Q420-K424 WeakPolarHBondContact O-CG 3.11Å; Q420-K424 PolarHBondContact O-N 3.25Å; E421-K424 WeakPolarHBondContact O-CB 3.39Å; E421-K424 PolarHBondContact O-N 3.11Å; A422-K424 PolarHBondContact O-N 2.95Å |
| 425 | Y | 81.5 | Confident | 83.7 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 45% | 0.447 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86.8 | -20.8 | -177.5 | -62.7 | -83.5 | 0 | 0 | 0 | 113.4 | V388 K392 E421 A422 W423 | V388-Y425 HydrophobicContact CG1-CD1 4.02Å; V388-Y425 HydrophobicContact CG1-CD2 4.42Å; V388-Y425 HydrophobicContact CG1-CE1 3.79Å; V388-Y425 HydrophobicContact CG1-CE2 4.24Å; V388-Y425 HydrophobicContact CG1-CG 4.34Å; K392-Y425 HydrophobicContact CG-CD2 3.9Å; K392-Y425 HydrophobicContact CG-CE2 4.19Å; E421-Y425 VanDerWaalsContact O-CD2 3.24Å; E421-Y425 WeakPolarHBondContact O-CD2 3.48Å; A422-Y425 PolarHBondContact O-N 2.78Å; W423-Y425 VanDerWaalsContact C-N 3.29Å; W423-Y425 PolarHBondContact O-N 3.27Å |
| 426 | N | 83.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -116 | 13.7 | -172.2 | -66.8 | -87.7 | 0 | 0 | 0 | 114.6 | A389 L393 A422 W423 E428 C429 L432 Q466 | A389-N426 PolarHBondContact O-ND2 3.25Å; L393-N426 VanDerWaalsContact CD1-OD1 3.31Å; L393-N426 WeakPolarHBondContact CD1-OD1 3.35Å; L393-N426 HydrophobicContact CD2-CB 4.49Å; A422-N426 WeakPolarHBondContact O-CB 3.23Å; A422-N426 PolarHBondContact O-N 3.21Å; A422-N426 VanDerWaalsContact O-N 3.09Å; A422-N426 PolarHBondContact O-ND2 3.37Å; W423-N426 PolarHBondContact O-N 2.89Å; N426-E428 PolarHBondContact O-N 3.41Å; N426-C429 WeakPolarHBondContact O-CB 3.37Å; N426-C429 PolarHBondContact O-N 3.48Å; N426-L432 HydrophobicContact CB-CD2 3.33Å; N426-Q466 PolarHBondContact OD1-NE2 3.49Å; N426-Q466 PolarHBondContact OD1-OE1 3.09Å |
| 427 | R | 80.1 | Confident | 83.5 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 56% | 0.562 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.4 | -174 | 73.9 | -178.7 | -167.2 | -161.2 | -5.5 | 114.6 | W423 C429 R433 | W423-R427 WeakPolarHBondContact O-CB 3.35Å; W423-R427 PolarHBondContact O-N 2.96Å; R427-C429 VanDerWaalsContact C-N 3.34Å; R427-R433 WeakPolarHBondContact O-CD 3.38Å; R427-R433 PolarHBondContact O-NH1 3.45Å |
| 428 | E | 79.1 | Confident | 83.3 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16 | -178.5 | -57.6 | -53.3 | 150.5 | 0 | 0 | 112.7 | N426 K430 R433 | N426-E428 PolarHBondContact O-N 3.41Å; E428-K430 PolarHBondContact O-N 3.31Å; E428-K430 VanDerWaalsContact O-N 3.16Å; E428-R433 PolarHBondContact O-NH1 3.13Å; E428-R433 IonicContact OE2-NH1 3.43Å |
| 429 | C | 81.1 | Confident | 83.2 | Confident | 21 Ų | 21 | 67 Ų | 67 | 14% | 0.142 | 31% | 0.308 | C | S | . | . | trans | -71.6 | 109.2 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | N426 R427 L431 L432 R433 | N426-C429 WeakPolarHBondContact O-CB 3.37Å; N426-C429 PolarHBondContact O-N 3.48Å; R427-C429 VanDerWaalsContact C-N 3.34Å; C429-L431 PolarHBondContact O-N 2.63Å; C429-L432 HydrophobicContact CB-CB 3.94Å; C429-L432 PolarHBondContact O-N 3.41Å; C429-R433 WeakPolarHBondContact O-CG 3.48Å; C429-R433 PolarHBondContact O-N 2.97Å; C429-R433 VanDerWaalsContact O-N 3.09Å | ||
| 430 | K | 81.5 | Confident | 83.1 | Confident | 141 Ų | 141 | 69 Ų | 69 | 61% | 0.613 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.4 | -45.8 | -178.8 | -172.7 | -176.8 | 174.8 | -172.5 | 0 | 112.2 | E428 L432 R433 D434 | E428-K430 PolarHBondContact O-N 3.31Å; E428-K430 VanDerWaalsContact O-N 3.16Å; K430-L432 VanDerWaalsContact C-N 3.3Å; K430-L432 PolarHBondContact O-N 3.38Å; K430-R433 PolarHBondContact O-N 3.36Å; K430-R433 VanDerWaalsContact O-N 3.14Å; K430-D434 PolarHBondContact O-N 3.25Å |
| 431 | L | 81.3 | Confident | 83 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 179.7 | -175.6 | 63.8 | 0 | 0 | 0 | 111.9 | C429 T435 Q461 V462 E465 | C429-L431 PolarHBondContact O-N 2.63Å; L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.4Å; L431-T435 PolarHBondContact O-N 2.98Å; L431-T435 PolarHBondContact O-OG1 3.42Å; L431-Q461 HydrophobicContact CD2-CB 4.46Å; L431-V462 HydrophobicContact CB-CG2 4.23Å; L431-V462 HydrophobicContact CD2-CG2 3.87Å; L431-V462 HydrophobicContact CG-CG2 3.85Å; L431-E465 VanDerWaalsContact CB-OE2 3.23Å; L431-E465 WeakPolarHBondContact CB-OE2 3.46Å; L431-E465 WeakPolarHBondContact CD2-OE2 3.5Å |
| 432 | L | 83.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.4 | -172.6 | 65.2 | 0 | 0 | 0 | 111.9 | L393 M419 W423 N426 C429 K430 T435 L436 V462 | L393-L432 HydrophobicContact CD2-CD1 4.11Å; L393-L432 HydrophobicContact CD2-CD2 3.98Å; M419-L432 HydrophobicContact CE-CD1 4.07Å; M419-L432 HydrophobicContact CE-CD2 4.49Å; W423-L432 HydrophobicContact CE3-CD2 4.19Å; W423-L432 HydrophobicContact CE3-CG 4.4Å; W423-L432 HydrophobicContact CZ3-CG 4.38Å; N426-L432 HydrophobicContact CB-CD2 3.33Å; C429-L432 HydrophobicContact CB-CB 3.94Å; C429-L432 PolarHBondContact O-N 3.41Å; K430-L432 VanDerWaalsContact C-N 3.3Å; K430-L432 PolarHBondContact O-N 3.38Å; L432-T435 WeakPolarHBondContact O-CB 3.18Å; L432-T435 PolarHBondContact O-N 3.31Å; L432-L436 HydrophobicContact CD1-CD1 4.47Å; L432-L436 HydrophobicContact CD1-CG 4.31Å; L432-L436 HydrophobicContact CG-CD1 4.28Å; L432-L436 HydrophobicContact CG-CG 4.42Å; L432-L436 WeakPolarHBondContact O-CB 3.25Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.01Å; L432-V462 HydrophobicContact CB-CG1 4.1Å; L432-V462 HydrophobicContact CB-CG2 4.14Å; L432-V462 HydrophobicContact CD1-CG1 4.41Å; L432-V462 HydrophobicContact CD1-CG2 4.18Å |
| 433 | R | 83.4 | Confident | 82.4 | Confident | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 177.2 | -64 | -161.7 | -72.8 | -110.9 | -2.7 | 111.8 | W423 R427 E428 C429 K430 T435 L436 Q437 | W423-R433 HydrophobicContact CH2-CB 4.12Å; W423-R433 HydrophobicContact CH2-CG 3.56Å; W423-R433 HydrophobicContact CZ3-CB 4.41Å; W423-R433 HydrophobicContact CZ3-CG 3.88Å; R427-R433 WeakPolarHBondContact O-CD 3.38Å; R427-R433 PolarHBondContact O-NH1 3.45Å; E428-R433 PolarHBondContact O-NH1 3.13Å; E428-R433 IonicContact OE2-NH1 3.43Å; C429-R433 WeakPolarHBondContact O-CG 3.48Å; C429-R433 PolarHBondContact O-N 2.97Å; C429-R433 VanDerWaalsContact O-N 3.09Å; K430-R433 PolarHBondContact O-N 3.36Å; K430-R433 VanDerWaalsContact O-N 3.14Å; R433-T435 VanDerWaalsContact C-N 3.27Å; R433-T435 PolarHBondContact O-N 2.95Å; R433-L436 PolarHBondContact O-N 2.95Å; R433-Q437 PolarHBondContact O-N 2.89Å |
| 434 | D | 81.6 | Confident | 82 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.8 | -64.8 | -11.4 | 0 | 0 | 0 | 110.4 | K430 S438 | K430-D434 PolarHBondContact O-N 3.25Å; D434-S438 PolarHBondContact O-N 3.09Å |
| 435 | T | 78.1 | Confident | 82.1 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -55.3 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | L431 L432 R433 Q437 S438 F439 I458 | L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.4Å; L431-T435 PolarHBondContact O-N 2.98Å; L431-T435 PolarHBondContact O-OG1 3.42Å; L432-T435 WeakPolarHBondContact O-CB 3.18Å; L432-T435 PolarHBondContact O-N 3.31Å; R433-T435 VanDerWaalsContact C-N 3.27Å; R433-T435 PolarHBondContact O-N 2.95Å; T435-Q437 VanDerWaalsContact C-N 3.26Å; T435-Q437 PolarHBondContact O-N 3.28Å; T435-S438 WeakPolarHBondContact O-CA 3.36Å; T435-S438 WeakPolarHBondContact O-CB 3.41Å; T435-S438 PolarHBondContact O-N 3.14Å; T435-S438 PolarHBondContact O-OG 3.42Å; T435-F439 HydrophobicContact CG2-CD2 4.17Å; T435-F439 HydrophobicContact CG2-CE2 4.09Å; T435-F439 WeakPolarHBondContact O-CD2 3.35Å; T435-F439 PolarHBondContact O-N 3.21Å; T435-I458 HydrophobicContact CG2-CB 3.79Å; T435-I458 HydrophobicContact CG2-CD1 4.18Å; T435-I458 HydrophobicContact CG2-CG2 3.3Å; T435-I458 WeakPolarHBondContact OG1-CG2 3.48Å |
| 436 | L | 84.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -30.2 | -174.3 | -75.2 | -171.6 | 0 | 0 | 0 | 112.9 | M419 W423 L432 R433 S438 F439 S440 W441 F446 L455 | M419-L436 HydrophobicContact CE-CD1 3.35Å; M419-L436 HydrophobicContact CE-CD2 3.71Å; M419-L436 HydrophobicContact CE-CG 3.98Å; M419-L436 HydrophobicContact CG-CD2 4.31Å; M419-L436 HydrophobicContact SD-CD1 4.45Å; M419-L436 HydrophobicContact SD-CD2 3.9Å; W423-L436 HydrophobicContact CD2-CD1 4.12Å; W423-L436 HydrophobicContact CE3-CD1 3.23Å; W423-L436 HydrophobicContact CH2-CD1 4.36Å; W423-L436 HydrophobicContact CZ3-CB 4.36Å; W423-L436 HydrophobicContact CZ3-CD1 3.38Å; W423-L436 HydrophobicContact CZ3-CG 4.3Å; L432-L436 HydrophobicContact CD1-CD1 4.47Å; L432-L436 HydrophobicContact CD1-CG 4.31Å; L432-L436 HydrophobicContact CG-CD1 4.28Å; L432-L436 HydrophobicContact CG-CG 4.42Å; L432-L436 WeakPolarHBondContact O-CB 3.25Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.01Å; R433-L436 PolarHBondContact O-N 2.95Å; L436-S438 VanDerWaalsContact C-N 3.27Å; L436-S438 PolarHBondContact O-N 2.91Å; L436-F439 CarbonylContact O-C 3.6Å; L436-F439 PolarHBondContact O-N 3.36Å; L436-F439 VanDerWaalsContact O-N 3.13Å; L436-S440 PolarHBondContact O-N 2.98Å; L436-W441 HydrophobicContact CB-CB 3.69Å; L436-W441 HydrophobicContact CB-CG 3.98Å; L436-W441 HydrophobicContact CD1-CB 4.49Å; L436-W441 HydrophobicContact CD1-CD2 4.34Å; L436-W441 HydrophobicContact CD1-CG 3.92Å; L436-W441 HydrophobicContact CD2-CB 4.35Å; L436-W441 HydrophobicContact CD2-CG 4.4Å; L436-W441 HydrophobicContact CG-CB 4.4Å; L436-W441 HydrophobicContact CG-CG 4.34Å; L436-W441 VanDerWaalsContact O-CB 3.23Å; L436-W441 WeakPolarHBondContact O-CB 3.35Å; L436-W441 PolarHBondContact O-N 3.3Å; L436-F446 HydrophobicContact CD2-CE1 3.84Å; L436-F446 HydrophobicContact CD2-CZ 3.97Å; L436-L455 HydrophobicContact CD2-CD1 4.06Å |
| 437 | Q | 82.1 | Confident | 82.5 | Confident | 154 Ų | 154 | 69.6 Ų | 69.6 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -37.8 | 171 | -169.3 | 173.8 | 8.8 | 0 | 0 | 111.8 | R433 T435 F439 S440 | R433-Q437 PolarHBondContact O-N 2.89Å; T435-Q437 VanDerWaalsContact C-N 3.26Å; T435-Q437 PolarHBondContact O-N 3.28Å; Q437-F439 PolarHBondContact O-N 3.29Å; Q437-S440 PolarHBondContact O-N 3.36Å |
| 438 | S | 82 | Confident | 82.6 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.6 | -13.8 | 176.6 | 79.2 | 0 | 0 | 0 | 0 | 114.6 | D434 T435 L436 | D434-S438 PolarHBondContact O-N 3.09Å; T435-S438 WeakPolarHBondContact O-CA 3.36Å; T435-S438 WeakPolarHBondContact O-CB 3.41Å; T435-S438 PolarHBondContact O-N 3.14Å; T435-S438 PolarHBondContact O-OG 3.42Å; L436-S438 VanDerWaalsContact C-N 3.27Å; L436-S438 PolarHBondContact O-N 2.91Å |
| 439 | F | 84.8 | Confident | 82.7 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.9 | 175.4 | -74.9 | -88 | 0 | 0 | 0 | 113.1 | T435 L436 Q437 W441 F446 V450 D451 K454 L455 I458 | T435-F439 HydrophobicContact CG2-CD2 4.17Å; T435-F439 HydrophobicContact CG2-CE2 4.09Å; T435-F439 WeakPolarHBondContact O-CD2 3.35Å; T435-F439 PolarHBondContact O-N 3.21Å; L436-F439 CarbonylContact O-C 3.6Å; L436-F439 PolarHBondContact O-N 3.36Å; L436-F439 VanDerWaalsContact O-N 3.13Å; Q437-F439 PolarHBondContact O-N 3.29Å; F439-W441 VanDerWaalsContact C-N 3.3Å; F439-W441 PolarHBondContact O-N 3.41Å; F439-F446 HydrophobicContact CB-CD1 3.96Å; F439-F446 HydrophobicContact CB-CE1 3.78Å; F439-F446 WeakPolarHBondContact O-CD1 3.5Å; F439-V450 HydrophobicContact CD1-CG1 3.81Å; F439-V450 HydrophobicContact CE1-CG1 4.19Å; F439-D451 HydrophobicContact CE1-CB 4.29Å; F439-K454 HydrophobicContact CE1-CB 4.32Å; F439-K454 HydrophobicContact CZ-CB 3.91Å; F439-K454 HydrophobicContact CZ-CD 4.03Å; F439-K454 HydrophobicContact CZ-CG 3.87Å; F439-L455 HydrophobicContact CD2-CD1 4.15Å; F439-L455 HydrophobicContact CE1-CB 4.07Å; F439-L455 HydrophobicContact CE2-CD1 4.26Å; F439-L455 HydrophobicContact CG-CD1 4.45Å; F439-L455 HydrophobicContact CZ-CB 4.05Å; F439-I458 HydrophobicContact CE2-CD1 3.78Å; F439-I458 HydrophobicContact CZ-CD1 4.17Å |
| 440 | S | 86.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 37.8 | -179.4 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | L436 Q437 T447 D448 | L436-S440 PolarHBondContact O-N 2.98Å; Q437-S440 PolarHBondContact O-N 3.36Å; S440-T447 VanDerWaalsContact CB-OG1 3.23Å; S440-T447 WeakPolarHBondContact CB-OG1 3.4Å; S440-T447 PolarHBondContact O-N 2.89Å; S440-T447 PolarHBondContact O-OG1 3.05Å; S440-D448 WeakPolarHBondContact CB-OD2 3.5Å; S440-D448 PolarHBondContact OG-OD2 3.16Å |
| 441 | W | 85.8 | Confident | 83 | Confident | 24 Ų | 24 | 68 Ų | 68 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 123.9 | 173.1 | -178 | -107.5 | 0 | 0 | 0 | 111.1 | M419 Q420 W423 L436 F439 F446 | M419-W441 HydrophobicContact CB-CH2 3.73Å; M419-W441 HydrophobicContact CB-CZ2 4.42Å; M419-W441 HydrophobicContact CB-CZ3 3.81Å; M419-W441 HydrophobicContact CG-CD2 4.34Å; M419-W441 HydrophobicContact CG-CE3 4.03Å; M419-W441 HydrophobicContact CG-CH2 3.74Å; M419-W441 HydrophobicContact CG-CZ2 4.05Å; M419-W441 HydrophobicContact CG-CZ3 3.71Å; Q420-W441 HydrophobicContact CB-CH2 4.19Å; Q420-W441 HydrophobicContact CB-CZ2 4.35Å; W423-W441 HydrophobicContact CB-CZ2 4.45Å; W423-W441 AromaticContact CD2-NE1 3.84Å; W423-W441 AromaticContact CG-NE1 3.91Å; L436-W441 HydrophobicContact CB-CB 3.69Å; L436-W441 HydrophobicContact CB-CG 3.98Å; L436-W441 HydrophobicContact CD1-CB 4.49Å; L436-W441 HydrophobicContact CD1-CD2 4.34Å; L436-W441 HydrophobicContact CD1-CG 3.92Å; L436-W441 HydrophobicContact CD2-CB 4.35Å; L436-W441 HydrophobicContact CD2-CG 4.4Å; L436-W441 HydrophobicContact CG-CB 4.4Å; L436-W441 HydrophobicContact CG-CG 4.34Å; L436-W441 VanDerWaalsContact O-CB 3.23Å; L436-W441 WeakPolarHBondContact O-CB 3.35Å; L436-W441 PolarHBondContact O-N 3.3Å; F439-W441 VanDerWaalsContact C-N 3.3Å; F439-W441 PolarHBondContact O-N 3.41Å; W441-F446 HydrophobicContact CB-CD1 4.08Å; W441-F446 HydrophobicContact CB-CE1 4.05Å; W441-F446 HydrophobicContact CD2-CD1 4.47Å; W441-F446 HydrophobicContact CD2-CE1 4.29Å; W441-F446 HydrophobicContact CD2-CZ 4.46Å; W441-F446 AromaticContact CE3-CD1 3.64Å; W441-F446 HydrophobicContact CE3-CD1 3.64Å; W441-F446 AromaticContact CE3-CD2 3.69Å; W441-F446 HydrophobicContact CE3-CD2 3.69Å; W441-F446 AromaticContact CE3-CE1 3.63Å; W441-F446 HydrophobicContact CE3-CE1 3.63Å; W441-F446 AromaticContact CE3-CE2 3.65Å; W441-F446 HydrophobicContact CE3-CE2 3.65Å; W441-F446 AromaticContact CE3-CG 3.68Å; W441-F446 HydrophobicContact CE3-CG 3.68Å; W441-F446 AromaticContact CE3-CZ 3.64Å; W441-F446 HydrophobicContact CE3-CZ 3.64Å; W441-F446 HydrophobicContact CZ3-CD1 4.49Å; W441-F446 AromaticContact CZ3-CD2 3.71Å; W441-F446 HydrophobicContact CZ3-CD2 3.71Å; W441-F446 HydrophobicContact CZ3-CE1 4.45Å; W441-F446 AromaticContact CZ3-CE2 3.64Å; W441-F446 HydrophobicContact CZ3-CE2 3.64Å; W441-F446 HydrophobicContact CZ3-CG 4.15Å; W441-F446 HydrophobicContact CZ3-CZ 4.04Å |
| 442 | N | 82.1 | Confident | 83.1 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | trans | -100.3 | 9.9 | -178.7 | 69.7 | 12.3 | 0 | 0 | 0 | 114.2 | R444 G445 T447 | N442-R444 PolarHBondContact OD1-N 3.06Å; N442-G445 PolarHBondContact N-O 3Å; N442-G445 VanDerWaalsContact N-O 3.11Å; N442-G445 PolarHBondContact OD1-N 3.43Å; N442-G445 PolarHBondContact OD1-O 3.07Å; N442-T447 HydrophobicContact CB-CG2 4.26Å; N442-T447 WeakPolarHBondContact ND2-CG2 3.28Å | ||
| 443 | G | 77.2 | Confident | 82.9 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 90.9 | -11.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 444 | R | 78.7 | Confident | 82.9 | Confident | 203 Ų | 203 | 72.6 Ų | 72.6 | 77% | 0.766 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -122 | -33.7 | 173.4 | -70.1 | -171.2 | -179 | -147.5 | 1.4 | 113.3 | N442 | N442-R444 PolarHBondContact OD1-N 3.06Š|
| 445 | G | 85.7 | Confident | 83 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -163.9 | 167.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | N416 N442 | N416-G445 VanDerWaalsContact OD1-CA 3.27Å; N416-G445 WeakPolarHBondContact OD1-CA 3.34Å; N442-G445 PolarHBondContact N-O 3Å; N442-G445 VanDerWaalsContact N-O 3.11Å; N442-G445 PolarHBondContact OD1-N 3.43Å; N442-G445 PolarHBondContact OD1-O 3.07Å |
| 446 | F | 88.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 126.2 | 168.6 | -60.7 | -77.1 | 0 | 0 | 0 | 109.5 | L415 N416 M419 L436 F439 W441 V450 L455 | L415-F446 HydrophobicContact CD2-CE2 4.48Å; L415-F446 HydrophobicContact CG-CE2 4.24Å; N416-F446 WeakPolarHBondContact OD1-CD2 3.31Å; N416-F446 PolarHBondContact OD1-N 3.03Å; M419-F446 HydrophobicContact CB-CE2 3.94Å; M419-F446 HydrophobicContact CB-CZ 4.25Å; M419-F446 HydrophobicContact CG-CE2 3.84Å; M419-F446 HydrophobicContact CG-CZ 3.63Å; M419-F446 HydrophobicContact SD-CZ 4.17Å; L436-F446 HydrophobicContact CD2-CE1 3.84Å; L436-F446 HydrophobicContact CD2-CZ 3.97Å; F439-F446 HydrophobicContact CB-CD1 3.96Å; F439-F446 HydrophobicContact CB-CE1 3.78Å; F439-F446 WeakPolarHBondContact O-CD1 3.5Å; W441-F446 HydrophobicContact CB-CD1 4.08Å; W441-F446 HydrophobicContact CB-CE1 4.05Å; W441-F446 HydrophobicContact CD2-CD1 4.47Å; W441-F446 HydrophobicContact CD2-CE1 4.29Å; W441-F446 HydrophobicContact CD2-CZ 4.46Å; W441-F446 AromaticContact CE3-CD1 3.64Å; W441-F446 HydrophobicContact CE3-CD1 3.64Å; W441-F446 AromaticContact CE3-CD2 3.69Å; W441-F446 HydrophobicContact CE3-CD2 3.69Å; W441-F446 AromaticContact CE3-CE1 3.63Å; W441-F446 HydrophobicContact CE3-CE1 3.63Å; W441-F446 AromaticContact CE3-CE2 3.65Å; W441-F446 HydrophobicContact CE3-CE2 3.65Å; W441-F446 AromaticContact CE3-CG 3.68Å; W441-F446 HydrophobicContact CE3-CG 3.68Å; W441-F446 AromaticContact CE3-CZ 3.64Å; W441-F446 HydrophobicContact CE3-CZ 3.64Å; W441-F446 HydrophobicContact CZ3-CD1 4.49Å; W441-F446 AromaticContact CZ3-CD2 3.71Å; W441-F446 HydrophobicContact CZ3-CD2 3.71Å; W441-F446 HydrophobicContact CZ3-CE1 4.45Å; W441-F446 AromaticContact CZ3-CE2 3.64Å; W441-F446 HydrophobicContact CZ3-CE2 3.64Å; W441-F446 HydrophobicContact CZ3-CG 4.15Å; W441-F446 HydrophobicContact CZ3-CZ 4.04Å; F446-V450 HydrophobicContact CB-CG2 3.4Å; F446-V450 HydrophobicContact CD1-CG2 3.56Å; F446-V450 HydrophobicContact CD2-CG2 3.51Å; F446-V450 HydrophobicContact CE1-CG2 4.15Å; F446-V450 HydrophobicContact CE2-CG2 4.13Å; F446-V450 HydrophobicContact CG-CG2 3.19Å; F446-V450 HydrophobicContact CZ-CG2 4.41Å; F446-L455 HydrophobicContact CE1-CD2 4.36Å; F446-L455 HydrophobicContact CE2-CD2 4.13Å; F446-L455 HydrophobicContact CZ-CD1 4.45Å; F446-L455 HydrophobicContact CZ-CD2 3.61Å |
| 447 | T | 83.9 | Confident | 83.1 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -82 | -21.3 | 178.7 | 59 | 0 | 0 | 0 | 0 | 112.8 | S440 N442 | S440-T447 VanDerWaalsContact CB-OG1 3.23Å; S440-T447 WeakPolarHBondContact CB-OG1 3.4Å; S440-T447 PolarHBondContact O-N 2.89Å; S440-T447 PolarHBondContact O-OG1 3.05Å; N442-T447 HydrophobicContact CB-CG2 4.26Å; N442-T447 WeakPolarHBondContact ND2-CG2 3.28Å |
| 448 | D | 83.8 | Confident | 83.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -116.8 | 164.4 | 178.1 | -64.4 | -45.9 | 0 | 0 | 0 | 111.4 | S440 V450 | S440-D448 WeakPolarHBondContact CB-OD2 3.5Å; S440-D448 PolarHBondContact OG-OD2 3.16Å; D448-V450 PolarHBondContact O-N 3.43Å |
| 449 | K | 81.5 | Confident | 83.2 | Confident | 200 Ų | 200 | 63.8 Ų | 63.8 | 87% | 0.87 | 32% | 0.315 | S | S | * | . | trans | -64.1 | 122.1 | 176.6 | -171.7 | 175.7 | -177.4 | 176.1 | 0 | 110.6 | ||||
| 450 | V | 82.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | -84.8 | 129.2 | -175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | L415 F439 F446 D448 R452 L455 | L415-V450 HydrophobicContact CD2-CB 4.42Å; L415-V450 HydrophobicContact CD2-CG1 4.4Å; F439-V450 HydrophobicContact CD1-CG1 3.81Å; F439-V450 HydrophobicContact CE1-CG1 4.19Å; F446-V450 HydrophobicContact CB-CG2 3.4Å; F446-V450 HydrophobicContact CD1-CG2 3.56Å; F446-V450 HydrophobicContact CD2-CG2 3.51Å; F446-V450 HydrophobicContact CE1-CG2 4.15Å; F446-V450 HydrophobicContact CE2-CG2 4.13Å; F446-V450 HydrophobicContact CG-CG2 3.19Å; F446-V450 HydrophobicContact CZ-CG2 4.41Å; D448-V450 PolarHBondContact O-N 3.43Å; V450-R452 VanDerWaalsContact C-N 3.35Å; V450-R452 PolarHBondContact O-N 2.68Å; V450-L455 HydrophobicContact CG1-CB 4.01Å; V450-L455 HydrophobicContact CG1-CD2 3.68Å; V450-L455 HydrophobicContact CG1-CG 4.43Å | ||
| 451 | D | 84.4 | Confident | 82.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | trans | -72.5 | 93.3 | 160.6 | -174.2 | -22.8 | 0 | 0 | 0 | 109.1 | F439 L453 K454 L455 | F439-D451 HydrophobicContact CE1-CB 4.29Å; D451-L453 PolarHBondContact O-N 2.98Å; D451-L453 PolarHBondContact OD1-N 3.41Å; D451-K454 HydrophobicContact CB-CB 3.96Å; D451-K454 PolarHBondContact O-N 2.97Å; D451-K454 PolarHBondContact OD1-N 3.47Å; D451-K454 VanDerWaalsContact OD1-N 3.16Å; D451-L455 PolarHBondContact O-N 3.09Å | ||
| 452 | R | 84.9 | Confident | 82.7 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -32.6 | -174.4 | -61.9 | -171.3 | -176.6 | 173 | 5.4 | 113.1 | C400 P403 E411 D412 L415 V450 A456 | C400-R452 HydrophobicContact CB-CB 3.97Å; C400-R452 VanDerWaalsContact CB-O 3.28Å; C400-R452 WeakPolarHBondContact CB-O 3.34Å; C400-R452 PolarHBondContact SG-O 2.97Å; P403-R452 VanDerWaalsContact CG-NH1 3.26Å; E411-R452 VanDerWaalsContact CB-NH2 3.28Å; E411-R452 IonicContact OE2-CZ 2.68Å; E411-R452 IonicContact OE2-NH1 3.72Å; E411-R452 PolarHBondContact OE2-NH1 2.99Å; E411-R452 IonicContact OE2-NH2 2.77Å; E411-R452 PolarHBondContact OE2-NH2 2.66Å; D412-R452 IonicContact OD1-CZ 2.59Å; D412-R452 IonicContact OD1-NE 3.13Å; D412-R452 IonicContact OD1-NH2 2.87Å; D412-R452 PolarHBondContact OD1-NH2 3.13Å; L415-R452 HydrophobicContact CD2-CG 3.95Å; V450-R452 VanDerWaalsContact C-N 3.35Å; V450-R452 PolarHBondContact O-N 2.68Å; R452-A456 WeakPolarHBondContact O-CB 3.22Å; R452-A456 PolarHBondContact O-N 3.48Å |
| 453 | L | 79.1 | Confident | 82.6 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 45% | 0.45 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.5 | -43.9 | 179.1 | -72.2 | 173 | 0 | 0 | 0 | 110.7 | D451 L455 A456 E457 | D451-L453 PolarHBondContact O-N 2.98Å; D451-L453 PolarHBondContact OD1-N 3.41Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-A456 PolarHBondContact O-N 3.2Å; L453-E457 PolarHBondContact O-N 3.42Å |
| 454 | K | 82.5 | Confident | 82.7 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.8 | -165.1 | -178.1 | 179.6 | -176.9 | 0 | 111.4 | F439 D451 E457 I458 | F439-K454 HydrophobicContact CE1-CB 4.32Å; F439-K454 HydrophobicContact CZ-CB 3.91Å; F439-K454 HydrophobicContact CZ-CD 4.03Å; F439-K454 HydrophobicContact CZ-CG 3.87Å; D451-K454 HydrophobicContact CB-CB 3.96Å; D451-K454 PolarHBondContact O-N 2.97Å; D451-K454 PolarHBondContact OD1-N 3.47Å; D451-K454 VanDerWaalsContact OD1-N 3.16Å; K454-E457 PolarHBondContact O-N 3.15Å; K454-I458 HydrophobicContact CG-CD1 4.1Å; K454-I458 WeakPolarHBondContact O-CD1 3.44Å; K454-I458 WeakPolarHBondContact O-CG1 3.33Å; K454-I458 PolarHBondContact O-N 3.46Å |
| 455 | L | 84.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.7 | -179.3 | 63 | 0 | 0 | 0 | 111.3 | V396 L436 F439 F446 V450 D451 L453 E457 I458 V459 | V396-L455 HydrophobicContact CG1-CD2 4.38Å; L436-L455 HydrophobicContact CD2-CD1 4.06Å; F439-L455 HydrophobicContact CD2-CD1 4.15Å; F439-L455 HydrophobicContact CE1-CB 4.07Å; F439-L455 HydrophobicContact CE2-CD1 4.26Å; F439-L455 HydrophobicContact CG-CD1 4.45Å; F439-L455 HydrophobicContact CZ-CB 4.05Å; F446-L455 HydrophobicContact CE1-CD2 4.36Å; F446-L455 HydrophobicContact CE2-CD2 4.13Å; F446-L455 HydrophobicContact CZ-CD1 4.45Å; F446-L455 HydrophobicContact CZ-CD2 3.61Å; V450-L455 HydrophobicContact CG1-CB 4.01Å; V450-L455 HydrophobicContact CG1-CD2 3.68Å; V450-L455 HydrophobicContact CG1-CG 4.43Å; D451-L455 PolarHBondContact O-N 3.09Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L455-E457 VanDerWaalsContact C-N 3.34Å; L455-E457 PolarHBondContact O-N 2.92Å; L455-I458 PolarHBondContact O-N 3.01Å; L455-V459 HydrophobicContact CD1-CG2 3.98Å; L455-V459 HydrophobicContact CG-CG2 4.25Å; L455-V459 WeakPolarHBondContact O-CB 3.29Å; L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 3.38Å |
| 456 | A | 83.5 | Confident | 82 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I397 C400 I401 R452 L453 K460 | I397-A456 HydrophobicContact CG2-CB 4.41Å; C400-A456 HydrophobicContact CB-CB 3.85Å; I401-A456 HydrophobicContact CG1-CB 4.49Å; R452-A456 WeakPolarHBondContact O-CB 3.22Å; R452-A456 PolarHBondContact O-N 3.48Å; L453-A456 PolarHBondContact O-N 3.2Å; A456-K460 WeakPolarHBondContact O-CB 3.18Å; A456-K460 PolarHBondContact O-N 3.26Å |
| 457 | E | 81.4 | Confident | 81.1 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 178 | -172.8 | 165.3 | -155 | 0 | 0 | 111.9 | L453 K454 L455 K460 Q461 | L453-E457 PolarHBondContact O-N 3.42Å; K454-E457 PolarHBondContact O-N 3.15Å; L455-E457 VanDerWaalsContact C-N 3.34Å; L455-E457 PolarHBondContact O-N 2.92Å; E457-K460 WeakPolarHBondContact O-CB 3.35Å; E457-K460 PolarHBondContact O-N 3.42Å; E457-Q461 PolarHBondContact O-N 3.2Å |
| 458 | I | 80.9 | Confident | 80.1 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.9 | -37.7 | 179.8 | -57.5 | 162.1 | 0 | 0 | 0 | 111.2 | T435 F439 K454 L455 K460 Q461 V462 | T435-I458 HydrophobicContact CG2-CB 3.79Å; T435-I458 HydrophobicContact CG2-CD1 4.18Å; T435-I458 HydrophobicContact CG2-CG2 3.3Å; T435-I458 WeakPolarHBondContact OG1-CG2 3.48Å; F439-I458 HydrophobicContact CE2-CD1 3.78Å; F439-I458 HydrophobicContact CZ-CD1 4.17Å; K454-I458 HydrophobicContact CG-CD1 4.1Å; K454-I458 WeakPolarHBondContact O-CD1 3.44Å; K454-I458 WeakPolarHBondContact O-CG1 3.33Å; K454-I458 PolarHBondContact O-N 3.46Å; L455-I458 PolarHBondContact O-N 3.01Å; I458-K460 PolarHBondContact O-N 3.37Å; I458-Q461 WeakPolarHBondContact O-CB 3.23Å; I458-Q461 PolarHBondContact O-N 3Å; I458-V462 WeakPolarHBondContact O-CG2 3.49Å; I458-V462 PolarHBondContact O-N 2.85Å |
| 459 | V | 84.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 172.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L393 V396 I397 L455 V462 I463 | L393-V459 HydrophobicContact CB-CG1 3.9Å; L393-V459 HydrophobicContact CD2-CG1 3.92Å; L393-V459 HydrophobicContact CG-CG1 4.46Å; L393-V459 WeakPolarHBondContact O-CG1 3.45Å; V396-V459 HydrophobicContact CG1-CG2 4.25Å; I397-V459 HydrophobicContact CD1-CB 4.46Å; I397-V459 HydrophobicContact CD1-CG1 4.04Å; I397-V459 HydrophobicContact CG1-CB 4.1Å; I397-V459 HydrophobicContact CG1-CG1 3.77Å; L455-V459 HydrophobicContact CD1-CG2 3.98Å; L455-V459 HydrophobicContact CG-CG2 4.25Å; L455-V459 WeakPolarHBondContact O-CB 3.29Å; L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 3.38Å; V459-V462 WeakPolarHBondContact O-CB 3.24Å; V459-V462 PolarHBondContact O-N 3.17Å; V459-I463 WeakPolarHBondContact O-CG1 3.32Å; V459-I463 PolarHBondContact O-N 2.83Å |
| 460 | K | 82.1 | Confident | 77.5 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -41 | 171.7 | -177.2 | 176 | -179 | -84.3 | 0 | 112.3 | L365 I397 A456 E457 I458 V462 I463 E464 | L365-K460 HydrophobicContact CB-CD 4.24Å; L365-K460 HydrophobicContact CD2-CD 3.43Å; L365-K460 VanDerWaalsContact CD2-CD 3.43Å; L365-K460 HydrophobicContact CG-CD 4.42Å; L365-K460 WeakPolarHBondContact O-CD 3.38Å; L365-K460 WeakPolarHBondContact O-CE 3.2Å; I397-K460 HydrophobicContact CD1-CB 3.97Å; A456-K460 WeakPolarHBondContact O-CB 3.18Å; A456-K460 PolarHBondContact O-N 3.26Å; E457-K460 WeakPolarHBondContact O-CB 3.35Å; E457-K460 PolarHBondContact O-N 3.42Å; I458-K460 PolarHBondContact O-N 3.37Å; K460-V462 VanDerWaalsContact C-N 3.29Å; K460-V462 PolarHBondContact O-N 2.61Å; K460-I463 WeakPolarHBondContact O-CB 3.23Å; K460-I463 PolarHBondContact O-N 2.77Å; K460-E464 WeakPolarHBondContact CE-OE1 3.3Å; K460-E464 IonicContact NZ-OE1 3.31Å; K460-E464 PolarHBondContact NZ-OE1 3.41Å; K460-E464 WeakPolarHBondContact O-CG 3.45Å; K460-E464 PolarHBondContact O-N 3.44Å |
| 461 | Q | 80.8 | Confident | 75.7 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 174.8 | -67.6 | 173.4 | -5 | 0 | 0 | 111.6 | L431 E457 I458 E464 E465 | L431-Q461 HydrophobicContact CD2-CB 4.46Å; E457-Q461 PolarHBondContact O-N 3.2Å; I458-Q461 WeakPolarHBondContact O-CB 3.23Å; I458-Q461 PolarHBondContact O-N 3Å; Q461-E464 PolarHBondContact O-N 3.43Å; Q461-E465 PolarHBondContact O-N 3.04Å |
| 462 | V | 82.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L393 L431 L432 I458 V459 K460 E464 E465 Q466 | L393-V462 HydrophobicContact CD1-CG1 3.82Å; L431-V462 HydrophobicContact CB-CG2 4.23Å; L431-V462 HydrophobicContact CD2-CG2 3.87Å; L431-V462 HydrophobicContact CG-CG2 3.85Å; L432-V462 HydrophobicContact CB-CG1 4.1Å; L432-V462 HydrophobicContact CB-CG2 4.14Å; L432-V462 HydrophobicContact CD1-CG1 4.41Å; L432-V462 HydrophobicContact CD1-CG2 4.18Å; I458-V462 WeakPolarHBondContact O-CG2 3.49Å; I458-V462 PolarHBondContact O-N 2.85Å; V459-V462 WeakPolarHBondContact O-CB 3.24Å; V459-V462 PolarHBondContact O-N 3.17Å; K460-V462 VanDerWaalsContact C-N 3.29Å; K460-V462 PolarHBondContact O-N 2.61Å; V462-E464 VanDerWaalsContact C-N 3.35Å; V462-E465 PolarHBondContact O-N 3.31Å; V462-Q466 HydrophobicContact CG1-CG 4.49Å; V462-Q466 WeakPolarHBondContact O-CB 3.27Å; V462-Q466 VanDerWaalsContact O-CG 3.31Å; V462-Q466 WeakPolarHBondContact O-CG 3.45Å; V462-Q466 PolarHBondContact O-N 3.46Å |
| 463 | I | 81.1 | Confident | 71.7 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.087 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.4 | -70.3 | 170 | 0 | 0 | 0 | 110.4 | L390 L393 R394 I397 V459 K460 Q466 T467 | L390-I463 HydrophobicContact CD2-CB 4.45Å; L390-I463 HydrophobicContact CD2-CG1 4.36Å; L390-I463 HydrophobicContact CD2-CG2 4.21Å; L393-I463 HydrophobicContact CB-CD1 3.75Å; L393-I463 HydrophobicContact CB-CG1 3.67Å; L393-I463 HydrophobicContact CD1-CG1 3.89Å; L393-I463 HydrophobicContact CG-CG1 4.45Å; R394-I463 HydrophobicContact CG-CD1 3.8Å; I397-I463 HydrophobicContact CD1-CD1 3.61Å; V459-I463 WeakPolarHBondContact O-CG1 3.32Å; V459-I463 PolarHBondContact O-N 2.83Å; K460-I463 WeakPolarHBondContact O-CB 3.23Å; K460-I463 PolarHBondContact O-N 2.77Å; I463-Q466 PolarHBondContact O-N 3.34Å; I463-T467 HydrophobicContact CG2-CG2 4.5Å; I463-T467 WeakPolarHBondContact O-CG2 3.46Å; I463-T467 PolarHBondContact O-N 3.41Å; I463-T467 PolarHBondContact O-OG1 3.31Å |
| 464 | E | 78.4 | Confident | 71.3 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | -180 | -73.8 | 171.8 | 179.9 | 0 | 0 | 111.3 | K460 Q461 V462 Q466 T467 T468 | K460-E464 WeakPolarHBondContact CE-OE1 3.3Å; K460-E464 IonicContact NZ-OE1 3.31Å; K460-E464 PolarHBondContact NZ-OE1 3.41Å; K460-E464 WeakPolarHBondContact O-CG 3.45Å; K460-E464 PolarHBondContact O-N 3.44Å; Q461-E464 PolarHBondContact O-N 3.43Å; V462-E464 VanDerWaalsContact C-N 3.35Å; E464-Q466 PolarHBondContact O-N 3.19Å; E464-T467 WeakPolarHBondContact CA-OG1 3.25Å; E464-T467 PolarHBondContact O-N 3.33Å; E464-T467 PolarHBondContact O-OG1 2.78Å; E464-T468 WeakPolarHBondContact O-CG2 3.4Å; E464-T468 PolarHBondContact O-N 3.04Å; E464-T468 PolarHBondContact O-OG1 3.19Å; E464-T468 VanDerWaalsContact O-OG1 3.11Å |
| 465 | E | 78.1 | Confident | 70.7 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.8 | -171 | -179.5 | -161.4 | 0 | 0 | 111.8 | L431 Q461 V462 T467 T468 S469 | L431-E465 VanDerWaalsContact CB-OE2 3.23Å; L431-E465 WeakPolarHBondContact CB-OE2 3.46Å; L431-E465 WeakPolarHBondContact CD2-OE2 3.5Å; Q461-E465 PolarHBondContact O-N 3.04Å; V462-E465 PolarHBondContact O-N 3.31Å; E465-T467 PolarHBondContact O-N 3.03Å; E465-T468 WeakPolarHBondContact CA-OG1 3.32Å; E465-T468 PolarHBondContact O-N 2.85Å; E465-T468 PolarHBondContact O-OG1 3.21Å; E465-S469 PolarHBondContact O-N 3.07Å; E465-S469 PolarHBondContact O-OG 3.1Å |
| 466 | Q | 72.2 | Confident | 70 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 178 | -72.2 | -175.3 | 12.5 | 0 | 0 | 112.7 | L390 N426 V462 I463 E464 S469 H470 | L390-Q466 HydrophobicContact CD2-CB 3.96Å; N426-Q466 PolarHBondContact OD1-NE2 3.49Å; N426-Q466 PolarHBondContact OD1-OE1 3.09Å; V462-Q466 HydrophobicContact CG1-CG 4.49Å; V462-Q466 WeakPolarHBondContact O-CB 3.27Å; V462-Q466 VanDerWaalsContact O-CG 3.31Å; V462-Q466 WeakPolarHBondContact O-CG 3.45Å; V462-Q466 PolarHBondContact O-N 3.46Å; I463-Q466 PolarHBondContact O-N 3.34Å; E464-Q466 PolarHBondContact O-N 3.19Å; Q466-S469 WeakPolarHBondContact CA-OG 3.41Å; Q466-S469 PolarHBondContact O-OG 2.75Å; Q466-H470 PolarHBondContact O-CD2 3Å |
| 467 | T | 69.5 | Low | 69.2 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 174.4 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | L390 I463 E464 E465 H470 E471 | L390-T467 HydrophobicContact CD1-CG2 3.88Å; L390-T467 HydrophobicContact CD2-CG2 4.43Å; I463-T467 HydrophobicContact CG2-CG2 4.5Å; I463-T467 WeakPolarHBondContact O-CG2 3.46Å; I463-T467 PolarHBondContact O-N 3.41Å; I463-T467 PolarHBondContact O-OG1 3.31Å; E464-T467 WeakPolarHBondContact CA-OG1 3.25Å; E464-T467 PolarHBondContact O-N 3.33Å; E464-T467 PolarHBondContact O-OG1 2.78Å; E465-T467 PolarHBondContact O-N 3.03Å; T467-H470 PolarHBondContact O-N 2.96Å; T467-E471 PolarHBondContact O-N 2.94Å |
| 468 | T | 63.1 | Low | 68.4 | Low | 79 Ų | 79 | 76.2 Ų | 76.2 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 179.3 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | E464 E465 H470 E471 S472 | E464-T468 WeakPolarHBondContact O-CG2 3.4Å; E464-T468 PolarHBondContact O-N 3.04Å; E464-T468 PolarHBondContact O-OG1 3.19Å; E464-T468 VanDerWaalsContact O-OG1 3.11Å; E465-T468 WeakPolarHBondContact CA-OG1 3.32Å; E465-T468 PolarHBondContact O-N 2.85Å; E465-T468 PolarHBondContact O-OG1 3.21Å; T468-H470 VanDerWaalsContact C-N 3.35Å; T468-E471 PolarHBondContact O-N 2.93Å; T468-S472 PolarHBondContact O-OG 3.05Å |
| 469 | S | 56.5 | Low | 67.6 | Low | 64 Ų | 64 | 79.4 Ų | 79.4 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.9 | -23.9 | 177.7 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | E465 Q466 | E465-S469 PolarHBondContact O-N 3.07Å; E465-S469 PolarHBondContact O-OG 3.1Å; Q466-S469 WeakPolarHBondContact CA-OG 3.41Å; Q466-S469 PolarHBondContact O-OG 2.75Å |
| 470 | H | 53.1 | Low | 66.3 | Low | 111 Ų | 111 | 85.1 Ų | 85.1 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -81 | -22 | 172.4 | -86.3 | -59.4 | 0 | 0 | 0 | 114.4 | S386 Q466 T467 T468 S472 | S386-H470 PolarHBondContact OG-CD2 2.88Å; S386-H470 PolarHBondContact OG-NE2 3.11Å; Q466-H470 PolarHBondContact O-CD2 3Å; T467-H470 PolarHBondContact O-N 2.96Å; T468-H470 VanDerWaalsContact C-N 3.35Å; H470-S472 VanDerWaalsContact C-N 3.3Å |
| 471 | E | 46.4 | Very low | 65.1 | Low | 171 Ų | 171 | 87.6 Ų | 87.6 | 80% | 0.799 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -7.1 | 174.6 | -73.6 | -178.8 | 164.4 | 0 | 0 | 113.3 | T467 T468 | T467-E471 PolarHBondContact O-N 2.94Å; T468-E471 PolarHBondContact O-N 2.93Å |
| 472 | S | 44.7 | Very low | 63.8 | Low | 101 Ų | 101 | 86.9 Ų | 86.9 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 10.5 | -173.8 | -50 | 0 | 0 | 0 | 0 | 114.5 | T468 H470 | T468-S472 PolarHBondContact O-OG 3.05Å; H470-S472 VanDerWaalsContact C-N 3.3Å |
| 473 | Q | 39.8 | Very low | 62.1 | Low | 236 Ų | 236 | 94.8 Ų | 94.8 | 100% | 1.103 | 50% | 0.495 | S | S | * | . | trans | -121 | 0 | 179.2 | -79.7 | -170.2 | -18.8 | 0 | 0 | 112.7 |
Retrieved 473 of 473 residues in 137.6 ms
(Link to these results)