| 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 | 63.2 | Low | 92.9 | Very high | 234 Ų | 234 | 73 Ų | 73 | 100% | 1.153 | 37% | 0.372 | S | S | * | . | 0 | 135.6 | 0 | -78 | 173.5 | -172.9 | 0 | 0 | 105.9 | |||||
| 2 | D | 85.4 | Confident | 93.2 | Very high | 148 Ų | 148 | 67.3 Ų | 67.3 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | trans | -67.2 | 160.6 | 170 | -63.2 | -36.2 | 0 | 0 | 0 | 108.8 | ||||
| 3 | Q | 90.1 | Very high | 93 | Very high | 129 Ų | 129 | 67.1 Ų | 67.1 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | trans | -67.6 | 141.2 | 176.1 | -178.2 | -81.3 | -18.5 | 0 | 0 | 109.9 | ||||
| 4 | E | 95.4 | Very high | 92.6 | Very high | 124 Ų | 124 | 65.6 Ų | 65.6 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | trans | -138.7 | 153.6 | -179.2 | -65.6 | 175.4 | 173.4 | 0 | 0 | 110.5 | N32 | E4-N32 VanDerWaalsContact CA-OD1 3.24Å; E4-N32 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 5 | Y | 98.1 | Very high | 92.3 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | trans | -101.3 | 136 | 169.5 | -63.2 | -75.2 | 0 | 0 | 0 | 109.7 | N32 A34 D108 L109 D139 | Y5-N32 PolarHBondContact N-OD1 2.84Å; Y5-N32 VanDerWaalsContact O-CB 3.25Å; Y5-N32 WeakPolarHBondContact O-CB 3.38Å; Y5-A34 WeakPolarHBondContact O-CB 3.24Å; Y5-D108 HydrophobicContact CD1-CB 4.45Å; Y5-L109 HydrophobicContact CD1-CB 3.61Å; Y5-L109 HydrophobicContact CD1-CG 4.5Å; Y5-L109 HydrophobicContact CD2-CB 4.34Å; Y5-L109 HydrophobicContact CD2-CD2 3.78Å; Y5-L109 HydrophobicContact CE1-CB 3.89Å; Y5-L109 HydrophobicContact CE1-CD1 4.24Å; Y5-L109 HydrophobicContact CE1-CG 4.47Å; Y5-L109 HydrophobicContact CE2-CD1 4.4Å; Y5-L109 HydrophobicContact CE2-CD2 3.9Å; Y5-L109 HydrophobicContact CG-CB 3.83Å; Y5-L109 HydrophobicContact CG-CD2 4.09Å; Y5-D139 HydrophobicContact CE1-CB 3.99Å; Y5-D139 PolarHBondContact OH-OD2 2.79Å | ||
| 6 | S | 97.8 | Very high | 92.2 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -94.4 | -31.6 | -177 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | A34 E35 D108 | S6-A34 WeakPolarHBondContact O-CA 3.44Å; S6-A34 WeakPolarHBondContact O-CB 3.44Å; S6-E35 PolarHBondContact O-N 3.03Å; S6-D108 WeakPolarHBondContact CA-OD2 3.45Å; S6-D108 WeakPolarHBondContact CB-OD2 3.21Å; S6-D108 PolarHBondContact N-OD1 3.49Å; S6-D108 PolarHBondContact N-OD2 2.84Å; S6-D108 PolarHBondContact OG-OD2 3.17Å |
| 7 | K | 98.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 64.5 Ų | 64.5 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 104.5 | -176.7 | -166 | 162.8 | 171.4 | 173.5 | 0 | 112.1 | E35 N105 I107 D108 | K7-E35 HydrophobicContact CD-CB 4.47Å; K7-E35 WeakPolarHBondContact CE-OE1 3.37Å; K7-E35 HydrophobicContact CG-CB 4.08Å; K7-E35 HydrophobicContact CG-CG 4.39Å; K7-E35 IonicContact NZ-OE1 3.21Å; K7-E35 PolarHBondContact NZ-OE1 3.12Å; K7-E35 IonicContact NZ-OE2 3.97Å; K7-N105 WeakPolarHBondContact CD-O 3.27Å; K7-N105 WeakPolarHBondContact CE-O 3.42Å; K7-N105 PolarHBondContact NZ-O 3.34Å; K7-I107 HydrophobicContact CB-CD1 4.47Å; K7-I107 HydrophobicContact CD-CD1 4.02Å; K7-I107 HydrophobicContact CG-CD1 3.64Å; K7-D108 VanDerWaalsContact C-OD1 3.32Å; K7-D108 PolarHBondContact N-OD1 3.24Å; K7-D108 PolarHBondContact N-OD2 3.44Å; K7-D108 PolarHBondContact O-N 2.85Å |
| 8 | I | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.7 | -172.1 | -57.2 | 165.3 | 0 | 0 | 0 | 108.2 | V28 A29 A34 E35 L36 L37 L109 M111 | I8-V28 HydrophobicContact CD1-CB 4.16Å; I8-V28 HydrophobicContact CD1-CG1 3.59Å; I8-A29 HydrophobicContact CD1-CB 4.11Å; I8-A34 HydrophobicContact CD1-CB 3.74Å; I8-A34 HydrophobicContact CG1-CB 4.05Å; I8-E35 PolarHBondContact N-O 3.23Å; I8-L36 HydrophobicContact CG2-CD1 4.37Å; I8-L36 CarbonylContact O-C 3.52Å; I8-L36 WeakPolarHBondContact O-CA 3.4Å; I8-L37 PolarHBondContact O-N 2.89Å; I8-L109 CarbonylContact C-O 3.55Å; I8-L109 WeakPolarHBondContact CA-O 3.35Å; I8-L109 HydrophobicContact CD1-CD2 4.44Å; I8-L109 HydrophobicContact CG1-CB 4.19Å; I8-L109 HydrophobicContact CG1-CD2 4.14Å; I8-L109 HydrophobicContact CG2-CB 4.38Å; I8-L109 HydrophobicContact CG2-CD2 4Å; I8-L109 HydrophobicContact CG2-CG 4.24Å; I8-M111 HydrophobicContact CG2-CG 4.02Å; I8-M111 HydrophobicContact CG2-SD 3.97Å |
| 9 | M | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.9 | 170.1 | -175.2 | 178.1 | 70.9 | 0 | 0 | 109.9 | L37 A39 I97 I101 P102 I107 L109 I110 M111 | M9-L37 WeakPolarHBondContact CA-O 3.49Å; M9-L37 HydrophobicContact CB-CB 4.42Å; M9-L37 HydrophobicContact CB-CD2 4.49Å; M9-L37 HydrophobicContact CG-CB 4.46Å; M9-L37 HydrophobicContact CG-CD2 4.11Å; M9-L37 HydrophobicContact CG-CG 4.33Å; M9-L37 HydrophobicContact SD-CD2 4.2Å; M9-A39 HydrophobicContact CG-CB 3.82Å; M9-A39 HydrophobicContact SD-CB 3.76Å; M9-I97 HydrophobicContact CE-CG2 3.96Å; M9-I97 WeakPolarHBondContact CE-O 3.48Å; M9-I101 HydrophobicContact SD-CB 4.01Å; M9-I101 HydrophobicContact SD-CG2 3.38Å; M9-I101 WeakPolarHBondContact SD-CG2 2.89Å; M9-P102 HydrophobicContact CE-CG 3.86Å; M9-I107 HydrophobicContact CB-CB 4.41Å; M9-I107 HydrophobicContact CB-CD1 3.98Å; M9-I107 HydrophobicContact CB-CG1 3.95Å; M9-I107 HydrophobicContact CB-CG2 3.58Å; M9-I107 HydrophobicContact SD-CG1 4.43Å; M9-L109 PolarHBondContact N-O 3.36Å; M9-I110 HydrophobicContact CE-CB 4.33Å; M9-I110 HydrophobicContact CE-CD1 4.09Å; M9-I110 HydrophobicContact CE-CG1 3.93Å; M9-I110 HydrophobicContact CE-CG2 3.64Å; M9-I110 CarbonylContact O-C 3.57Å; M9-M111 PolarHBondContact O-N 2.68Å |
| 10 | V | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.5 | 161.9 | 61.1 | 0 | 0 | 0 | 0 | 109.2 | V12 A21 F22 A25 L36 L37 L38 A39 M111 | V10-V12 HydrophobicContact CG2-CG1 4.21Å; V10-A21 HydrophobicContact CG2-CB 4.04Å; V10-F22 HydrophobicContact CG1-CD2 4.36Å; V10-F22 HydrophobicContact CG2-CB 4.41Å; V10-A25 HydrophobicContact CB-CB 3.78Å; V10-A25 HydrophobicContact CG1-CB 4.03Å; V10-A25 HydrophobicContact CG2-CB 4.19Å; V10-L36 HydrophobicContact CG1-CD1 3.97Å; V10-L37 PolarHBondContact N-O 3.36Å; V10-L38 HydrophobicContact CG1-CD2 3.55Å; V10-A39 PolarHBondContact O-N 3.45Å; V10-M111 WeakPolarHBondContact CA-O 3.3Å; V10-M111 HydrophobicContact CB-CB 4.36Å; V10-M111 HydrophobicContact CG2-CB 4.38Å |
| 11 | A | 97.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A39 I97 M111 L112 | A11-A39 CarbonylContact C-O 3.59Å; A11-A39 VanDerWaalsContact CA-O 3.29Å; A11-A39 WeakPolarHBondContact CA-O 3.27Å; A11-A39 HydrophobicContact CB-CB 4.48Å; A11-I97 HydrophobicContact CB-CD1 3.69Å; A11-I97 HydrophobicContact CB-CG1 3.97Å; A11-I97 HydrophobicContact CB-CG2 4.05Å; A11-M111 PolarHBondContact N-O 2.84Å; A11-L112 HydrophobicContact CB-CD2 3.36Å |
| 12 | V | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | trans | -123.4 | 136.3 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | V10 A18 F22 A39 H40 L69 Y72 | V10-V12 HydrophobicContact CG2-CG1 4.21Å; V12-A18 HydrophobicContact CB-CB 4.26Å; V12-A18 HydrophobicContact CG1-CB 4.36Å; V12-F22 HydrophobicContact CG1-CB 4.19Å; V12-A39 PolarHBondContact N-O 3.09Å; V12-H40 PolarHBondContact O-ND1 3.2Å; V12-L69 HydrophobicContact CG2-CD2 3.42Å; V12-L69 VanDerWaalsContact CG2-CD2 3.42Å; V12-Y72 HydrophobicContact CB-CD2 4.29Å; V12-Y72 HydrophobicContact CB-CE2 3.74Å; V12-Y72 HydrophobicContact CG1-CD2 4.24Å; V12-Y72 HydrophobicContact CG1-CE2 3.85Å; V12-Y72 HydrophobicContact CG2-CD2 3.88Å; V12-Y72 HydrophobicContact CG2-CE2 3.77Å | ||
| 13 | D | 90.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | trans | -120.9 | 5.8 | 179.7 | 68.3 | -12.1 | 0 | 0 | 0 | 112.9 | S15 A18 L117 | D13-S15 VanDerWaalsContact C-N 3.34Å; D13-S15 WeakPolarHBondContact OD1-CB 3.35Å; D13-S15 PolarHBondContact OD1-N 2.93Å; D13-S15 PolarHBondContact OD1-OG 3.45Å; D13-A18 VanDerWaalsContact OD1-CB 3.26Å; D13-A18 WeakPolarHBondContact OD1-CB 3.13Å; D13-L117 PolarHBondContact OD2-N 2.88Å | ||
| 14 | G | 87 | Confident | 95.6 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 47% | 0.474 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 83.9 | 3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 15 | S | 89.4 | Confident | 95.7 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -76.9 | 158 | 171.1 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | D13 E17 A18 E19 | D13-S15 VanDerWaalsContact C-N 3.34Å; D13-S15 WeakPolarHBondContact OD1-CB 3.35Å; D13-S15 PolarHBondContact OD1-N 2.93Å; D13-S15 PolarHBondContact OD1-OG 3.45Å; S15-E17 PolarHBondContact O-N 3.03Å; S15-A18 WeakPolarHBondContact O-CB 3.14Å; S15-A18 PolarHBondContact O-N 3.37Å; S15-A18 WeakPolarHBondContact OG-CB 3.33Å; S15-A18 PolarHBondContact OG-N 3.06Å; S15-A18 VanDerWaalsContact OG-N 3.17Å; S15-E19 PolarHBondContact O-N 2.76Å |
| 16 | N | 89.8 | Confident | 95.7 | Very high | 120 Ų | 120 | 29.5 Ų | 29.5 | 64% | 0.642 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -58.7 | -36.6 | 174.1 | -69.1 | -17.4 | 0 | 0 | 0 | 111.3 | E19 L20 | N16-E19 WeakPolarHBondContact O-CB 3.41Å; N16-E19 PolarHBondContact O-N 3.25Å; N16-L20 WeakPolarHBondContact O-CG 3.25Å; N16-L20 PolarHBondContact O-N 2.89Å |
| 17 | E | 91 | Very high | 95.8 | Very high | 52 Ų | 52 | 29 Ų | 29 | 24% | 0.243 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.7 | -32.8 | -179 | -61.7 | 100.2 | 138 | 0 | 0 | 113.2 | S15 E19 L20 A21 G113 T115 | S15-E17 PolarHBondContact O-N 3.03Å; E17-E19 VanDerWaalsContact C-N 3.28Å; E17-L20 PolarHBondContact O-N 2.74Å; E17-A21 PolarHBondContact O-N 2.76Å; E17-A21 VanDerWaalsContact O-N 3.09Å; E17-G113 WeakPolarHBondContact O-CA 3.4Å; E17-T115 VanDerWaalsContact CB-O 3.31Å; E17-T115 WeakPolarHBondContact CB-O 3.44Å; E17-T115 VanDerWaalsContact CD-OG1 3.22Å; E17-T115 VanDerWaalsContact CG-OG1 3.23Å; E17-T115 WeakPolarHBondContact CG-OG1 3.28Å; E17-T115 PolarHBondContact OE1-OG1 2.99Å |
| 18 | A | 94.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | V12 D13 S15 A21 F22 | V12-A18 HydrophobicContact CB-CB 4.26Å; V12-A18 HydrophobicContact CG1-CB 4.36Å; D13-A18 VanDerWaalsContact OD1-CB 3.26Å; D13-A18 WeakPolarHBondContact OD1-CB 3.13Å; S15-A18 WeakPolarHBondContact O-CB 3.14Å; S15-A18 PolarHBondContact O-N 3.37Å; S15-A18 WeakPolarHBondContact OG-CB 3.33Å; S15-A18 PolarHBondContact OG-N 3.06Å; S15-A18 VanDerWaalsContact OG-N 3.17Å; A18-A21 WeakPolarHBondContact O-CB 3.17Å; A18-A21 PolarHBondContact O-N 3.24Å; A18-F22 WeakPolarHBondContact O-CB 3.36Å; A18-F22 PolarHBondContact O-N 3.04Å |
| 19 | E | 95.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 28.4 Ų | 28.4 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.9 | -169.8 | -174.7 | 161.7 | 0 | 0 | 112.3 | S15 N16 E17 A21 F22 K23 Y72 | S15-E19 PolarHBondContact O-N 2.76Å; N16-E19 WeakPolarHBondContact O-CB 3.41Å; N16-E19 PolarHBondContact O-N 3.25Å; E17-E19 VanDerWaalsContact C-N 3.28Å; E19-A21 VanDerWaalsContact C-N 3.31Å; E19-A21 PolarHBondContact O-N 3.38Å; E19-F22 WeakPolarHBondContact O-CB 3.46Å; E19-F22 PolarHBondContact O-N 3.12Å; E19-K23 HydrophobicContact CG-CD 4.48Å; E19-K23 WeakPolarHBondContact O-CG 3.41Å; E19-K23 PolarHBondContact O-N 2.73Å; E19-K23 WeakPolarHBondContact OE1-CE 3.3Å; E19-K23 IonicContact OE1-NZ 2.64Å; E19-K23 PolarHBondContact OE1-NZ 3.18Å; E19-Y72 HydrophobicContact CG-CE1 4.23Å |
| 20 | L | 95.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 172.6 | -62.8 | 175.3 | 0 | 0 | 0 | 111.3 | N16 E17 K23 K24 V143 D146 P152 | N16-L20 WeakPolarHBondContact O-CG 3.25Å; N16-L20 PolarHBondContact O-N 2.89Å; E17-L20 PolarHBondContact O-N 2.74Å; L20-K23 PolarHBondContact O-N 3.29Å; L20-K24 PolarHBondContact O-N 2.88Å; L20-K24 VanDerWaalsContact O-N 3.16Å; L20-V143 HydrophobicContact CB-CG1 3.98Å; L20-D146 HydrophobicContact CD2-CB 4.26Å; L20-P152 HydrophobicContact CD1-CG 3.85Å; L20-P152 HydrophobicContact CD2-CG 4.01Å |
| 21 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V10 E17 A18 E19 K24 A25 L112 V143 | V10-A21 HydrophobicContact CG2-CB 4.04Å; E17-A21 PolarHBondContact O-N 2.76Å; E17-A21 VanDerWaalsContact O-N 3.09Å; A18-A21 WeakPolarHBondContact O-CB 3.17Å; A18-A21 PolarHBondContact O-N 3.24Å; E19-A21 VanDerWaalsContact C-N 3.31Å; E19-A21 PolarHBondContact O-N 3.38Å; A21-K24 PolarHBondContact O-N 3.27Å; A21-A25 VanDerWaalsContact O-CB 3.29Å; A21-A25 WeakPolarHBondContact O-CB 3.31Å; A21-A25 PolarHBondContact O-N 3.44Å; A21-L112 VanDerWaalsContact CB-C 3.47Å; A21-V143 HydrophobicContact CB-CB 3.99Å; A21-V143 HydrophobicContact CB-CG2 4.14Å |
| 22 | F | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -52.2 | 175.2 | 164.5 | -98.5 | 0 | 0 | 0 | 112 | V10 V12 A18 E19 K24 A25 V26 L38 Y72 E75 A76 | V10-F22 HydrophobicContact CG1-CD2 4.36Å; V10-F22 HydrophobicContact CG2-CB 4.41Å; V12-F22 HydrophobicContact CG1-CB 4.19Å; A18-F22 WeakPolarHBondContact O-CB 3.36Å; A18-F22 PolarHBondContact O-N 3.04Å; E19-F22 WeakPolarHBondContact O-CB 3.46Å; E19-F22 PolarHBondContact O-N 3.12Å; F22-K24 VanDerWaalsContact C-N 3.25Å; F22-K24 PolarHBondContact O-N 2.81Å; F22-A25 WeakPolarHBondContact O-CB 3.37Å; F22-A25 PolarHBondContact O-N 3.06Å; F22-V26 HydrophobicContact CD2-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 4.12Å; F22-V26 HydrophobicContact CE2-CG2 3.66Å; F22-V26 HydrophobicContact CZ-CG2 3.6Å; F22-V26 WeakPolarHBondContact O-CG2 3.24Å; F22-V26 PolarHBondContact O-N 2.98Å; F22-L38 HydrophobicContact CD2-CD2 3.83Å; F22-L38 HydrophobicContact CE2-CD2 3.88Å; F22-Y72 HydrophobicContact CB-CD1 4.42Å; F22-Y72 HydrophobicContact CB-CE1 4.27Å; F22-Y72 AromaticContact CD1-CD1 3.41Å; F22-Y72 HydrophobicContact CD1-CD1 3.41Å; F22-Y72 VanDerWaalsContact CD1-CD1 3.41Å; F22-Y72 AromaticContact CD1-CE1 3.64Å; F22-Y72 HydrophobicContact CD1-CE1 3.64Å; F22-Y72 HydrophobicContact CD1-CG 4.41Å; F22-Y72 AromaticContact CD2-CD1 3.81Å; F22-Y72 HydrophobicContact CD2-CD1 3.81Å; F22-Y72 HydrophobicContact CD2-CE1 4.48Å; F22-Y72 HydrophobicContact CD2-CG 4.03Å; F22-Y72 AromaticContact CE1-CD1 3.49Å; F22-Y72 HydrophobicContact CE1-CD1 3.49Å; F22-Y72 VanDerWaalsContact CE1-CD1 3.49Å; F22-Y72 HydrophobicContact CE1-CE1 4.11Å; F22-Y72 HydrophobicContact CE1-CG 4.43Å; F22-Y72 AromaticContact CE2-CD1 3.88Å; F22-Y72 HydrophobicContact CE2-CD1 3.88Å; F22-Y72 HydrophobicContact CE2-CG 4.04Å; F22-Y72 WeakPolarHBondContact CE2-O 3.4Å; F22-Y72 AromaticContact CG-CD1 3.59Å; F22-Y72 HydrophobicContact CG-CD1 3.59Å; F22-Y72 AromaticContact CG-CE1 3.85Å; F22-Y72 HydrophobicContact CG-CE1 3.85Å; F22-Y72 HydrophobicContact CG-CG 4.22Å; F22-Y72 AromaticContact CZ-CD1 3.73Å; F22-Y72 HydrophobicContact CZ-CD1 3.73Å; F22-Y72 HydrophobicContact CZ-CG 4.25Å; F22-Y72 WeakPolarHBondContact CZ-O 3.32Å; F22-E75 HydrophobicContact CE1-CB 4.18Å; F22-E75 HydrophobicContact CE1-CG 4.04Å; F22-E75 HydrophobicContact CZ-CB 4.04Å; F22-E75 HydrophobicContact CZ-CG 4.28Å; F22-A76 HydrophobicContact CE2-CB 4.12Å; F22-A76 HydrophobicContact CZ-CB 4.1Å |
| 23 | K | 98.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.2 | -40.1 | -179.8 | -74.6 | 175.8 | -179 | 165.4 | 0 | 112 | E19 L20 L147 | E19-K23 HydrophobicContact CG-CD 4.48Å; E19-K23 WeakPolarHBondContact O-CG 3.41Å; E19-K23 PolarHBondContact O-N 2.73Å; E19-K23 WeakPolarHBondContact OE1-CE 3.3Å; E19-K23 IonicContact OE1-NZ 2.64Å; E19-K23 PolarHBondContact OE1-NZ 3.18Å; L20-K23 PolarHBondContact O-N 3.29Å; K23-L147 HydrophobicContact CB-CD1 4.49Å; K23-L147 HydrophobicContact CB-CD2 4.02Å; K23-L147 HydrophobicContact CB-CG 4.28Å |
| 24 | K | 98.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | 174 | -72.3 | -163 | 175.9 | -168.3 | 0 | 112.3 | L20 A21 F22 V26 N27 V28 M111 V143 T145 D146 L147 N149 | L20-K24 PolarHBondContact O-N 2.88Å; L20-K24 VanDerWaalsContact O-N 3.16Å; A21-K24 PolarHBondContact O-N 3.27Å; F22-K24 VanDerWaalsContact C-N 3.25Å; F22-K24 PolarHBondContact O-N 2.81Å; K24-V26 VanDerWaalsContact C-N 3.27Å; K24-V26 PolarHBondContact O-N 3.32Å; K24-N27 PolarHBondContact O-N 2.89Å; K24-V28 WeakPolarHBondContact O-CG2 3.5Å; K24-V28 PolarHBondContact O-N 3.32Å; K24-M111 HydrophobicContact CB-CE 3.77Å; K24-V143 HydrophobicContact CB-CG2 4.45Å; K24-V143 HydrophobicContact CD-CG1 3.75Å; K24-V143 HydrophobicContact CD-CG2 4.18Å; K24-V143 HydrophobicContact CG-CG1 4.31Å; K24-T145 VanDerWaalsContact CE-O 3.27Å; K24-T145 WeakPolarHBondContact CE-O 3.13Å; K24-T145 PolarHBondContact NZ-OG1 2.83Å; K24-D146 WeakPolarHBondContact CE-O 3.3Å; K24-D146 PolarHBondContact NZ-O 2.85Å; K24-L147 HydrophobicContact CG-CD2 4.04Å; K24-N149 PolarHBondContact NZ-OD1 3.43Å |
| 25 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -38.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V10 A21 F22 N27 V28 A29 L36 M111 | V10-A25 HydrophobicContact CB-CB 3.78Å; V10-A25 HydrophobicContact CG1-CB 4.03Å; V10-A25 HydrophobicContact CG2-CB 4.19Å; A21-A25 VanDerWaalsContact O-CB 3.29Å; A21-A25 WeakPolarHBondContact O-CB 3.31Å; A21-A25 PolarHBondContact O-N 3.44Å; F22-A25 WeakPolarHBondContact O-CB 3.37Å; F22-A25 PolarHBondContact O-N 3.06Å; A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 3.42Å; A25-V28 PolarHBondContact O-N 3.07Å; A25-A29 VanDerWaalsContact O-CB 3.3Å; A25-A29 WeakPolarHBondContact O-CB 3.48Å; A25-A29 PolarHBondContact O-N 2.8Å; A25-L36 HydrophobicContact CB-CD1 3.83Å; A25-M111 VanDerWaalsContact CA-SD 3.53Å; A25-M111 HydrophobicContact CB-CB 4.33Å; A25-M111 HydrophobicContact CB-CE 4.09Å; A25-M111 HydrophobicContact CB-CG 4.49Å; A25-M111 HydrophobicContact CB-SD 3.68Å |
| 26 | V | 98.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.8 | -48.2 | 171 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | F22 K24 A29 K30 L36 A76 A79 V81 | F22-V26 HydrophobicContact CD2-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 4.12Å; F22-V26 HydrophobicContact CE2-CG2 3.66Å; F22-V26 HydrophobicContact CZ-CG2 3.6Å; F22-V26 WeakPolarHBondContact O-CG2 3.24Å; F22-V26 PolarHBondContact O-N 2.98Å; K24-V26 VanDerWaalsContact C-N 3.27Å; K24-V26 PolarHBondContact O-N 3.32Å; V26-A29 PolarHBondContact O-N 3.5Å; V26-K30 HydrophobicContact CG1-CD 4.25Å; V26-K30 VanDerWaalsContact O-CG 3.31Å; V26-K30 WeakPolarHBondContact O-CG 3.41Å; V26-K30 PolarHBondContact O-N 3.28Å; V26-L36 HydrophobicContact CG2-CD2 3.98Å; V26-A76 HydrophobicContact CG2-CB 3.78Å; V26-A79 HydrophobicContact CG1-CB 3.49Å; V26-A79 VanDerWaalsContact CG1-CB 3.49Å; V26-V81 HydrophobicContact CB-CG2 4.41Å; V26-V81 HydrophobicContact CG1-CG2 3.87Å |
| 27 | N | 98.2 | Very high | 97.4 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.6 | -36.7 | 179.6 | -75.3 | -29.3 | 0 | 0 | 0 | 112.8 | K24 A25 R31 L147 | K24-N27 PolarHBondContact O-N 2.89Å; A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 3.42Å; N27-R31 WeakPolarHBondContact O-CB 3.42Å; N27-R31 PolarHBondContact O-N 3.41Å; N27-L147 VanDerWaalsContact ND2-CD2 3.35Å; N27-L147 WeakPolarHBondContact ND2-CD2 3.45Å |
| 28 | V | 98.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 174.9 | -177 | 0 | 0 | 0 | 0 | 109.9 | I8 K24 A25 K30 R31 N32 L109 M111 | I8-V28 HydrophobicContact CD1-CB 4.16Å; I8-V28 HydrophobicContact CD1-CG1 3.59Å; K24-V28 WeakPolarHBondContact O-CG2 3.5Å; K24-V28 PolarHBondContact O-N 3.32Å; A25-V28 PolarHBondContact O-N 3.07Å; V28-K30 PolarHBondContact O-N 2.82Å; V28-R31 PolarHBondContact O-N 3.02Å; V28-N32 WeakPolarHBondContact CG1-ND2 3.11Å; V28-N32 PolarHBondContact O-N 3.01Å; V28-N32 PolarHBondContact O-ND2 2.75Å; V28-L109 HydrophobicContact CG1-CD2 4.03Å; V28-M111 HydrophobicContact CB-SD 4.14Å; V28-M111 HydrophobicContact CG1-SD 4.5Å; V28-M111 HydrophobicContact CG2-CE 4.21Å; V28-M111 HydrophobicContact CG2-SD 3.98Å |
| 29 | A | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I8 A25 V26 R31 N32 Q33 A34 L36 V81 | I8-A29 HydrophobicContact CD1-CB 4.11Å; A25-A29 VanDerWaalsContact O-CB 3.3Å; A25-A29 WeakPolarHBondContact O-CB 3.48Å; A25-A29 PolarHBondContact O-N 2.8Å; V26-A29 PolarHBondContact O-N 3.5Å; A29-R31 PolarHBondContact O-N 3.34Å; A29-N32 PolarHBondContact O-N 2.92Å; A29-Q33 WeakPolarHBondContact O-CA 3.29Å; A29-Q33 PolarHBondContact O-N 2.79Å; A29-A34 PolarHBondContact O-N 3.16Å; A29-L36 HydrophobicContact CB-CB 3.99Å; A29-L36 HydrophobicContact CB-CD1 4.43Å; A29-V81 HydrophobicContact CB-CG1 4.28Å; A29-V81 HydrophobicContact CB-CG2 4.39Å |
| 30 | K | 97.2 | Very high | 98 | Very high | 92 Ų | 92 | 37.2 Ų | 37.2 | 40% | 0.4 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.9 | -74.8 | 170.9 | 62.5 | -179.9 | 0 | 112.8 | V26 V28 N32 Q33 A79 V81 | V26-K30 HydrophobicContact CG1-CD 4.25Å; V26-K30 VanDerWaalsContact O-CG 3.31Å; V26-K30 WeakPolarHBondContact O-CG 3.41Å; V26-K30 PolarHBondContact O-N 3.28Å; V28-K30 PolarHBondContact O-N 2.82Å; K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.02Å; K30-Q33 PolarHBondContact O-N 3.36Å; K30-A79 VanDerWaalsContact CD-O 3.3Å; K30-A79 WeakPolarHBondContact CD-O 3.15Å; K30-A79 WeakPolarHBondContact CE-O 3.23Å; K30-A79 PolarHBondContact NZ-O 2.89Å; K30-V81 HydrophobicContact CD-CG2 4.3Å; K30-V81 HydrophobicContact CG-CG2 3.77Å |
| 31 | R | 96.5 | Very high | 98.1 | Very high | 183 Ų | 183 | 36.9 Ų | 36.9 | 69% | 0.691 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.5 | -37.8 | -178.9 | -175.8 | -177.4 | 69.4 | -165.8 | 2.2 | 111.8 | N27 V28 A29 | N27-R31 WeakPolarHBondContact O-CB 3.42Å; N27-R31 PolarHBondContact O-N 3.41Å; V28-R31 PolarHBondContact O-N 3.02Å; A29-R31 PolarHBondContact O-N 3.34Å |
| 32 | N | 97 | Very high | 97.8 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -91.6 | -4.4 | -178.5 | -67 | -94.6 | 0 | 0 | 0 | 113.6 | E4 Y5 V28 A29 K30 A34 | E4-N32 VanDerWaalsContact CA-OD1 3.24Å; E4-N32 WeakPolarHBondContact CA-OD1 3.43Å; Y5-N32 PolarHBondContact N-OD1 2.84Å; Y5-N32 VanDerWaalsContact O-CB 3.25Å; Y5-N32 WeakPolarHBondContact O-CB 3.38Å; V28-N32 WeakPolarHBondContact CG1-ND2 3.11Å; V28-N32 PolarHBondContact O-N 3.01Å; V28-N32 PolarHBondContact O-ND2 2.75Å; A29-N32 PolarHBondContact O-N 2.92Å; K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.02Å; N32-A34 HydrophobicContact CB-CB 4.02Å; N32-A34 PolarHBondContact O-N 3.45Å |
| 33 | Q | 96.5 | Very high | 97.4 | Very high | 185 Ų | 185 | 39.5 Ų | 39.5 | 86% | 0.864 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.4 | -167.4 | -52.7 | -177.6 | 15.7 | 0 | 0 | 112.9 | A29 K30 | A29-Q33 WeakPolarHBondContact O-CA 3.29Å; A29-Q33 PolarHBondContact O-N 2.79Å; K30-Q33 PolarHBondContact O-N 3.36Å |
| 34 | A | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | trans | -81.2 | 161.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | Y5 S6 I8 A29 N32 | Y5-A34 WeakPolarHBondContact O-CB 3.24Å; S6-A34 WeakPolarHBondContact O-CA 3.44Å; S6-A34 WeakPolarHBondContact O-CB 3.44Å; I8-A34 HydrophobicContact CD1-CB 3.74Å; I8-A34 HydrophobicContact CG1-CB 4.05Å; A29-A34 PolarHBondContact O-N 3.16Å; N32-A34 HydrophobicContact CB-CB 4.02Å; N32-A34 PolarHBondContact O-N 3.45Å | ||
| 35 | E | 98.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.6 | 159.2 | -177 | 175.2 | 144.7 | 0 | 0 | 110 | S6 K7 I8 N83 S85 | S6-E35 PolarHBondContact O-N 3.03Å; K7-E35 HydrophobicContact CD-CB 4.47Å; K7-E35 WeakPolarHBondContact CE-OE1 3.37Å; K7-E35 HydrophobicContact CG-CB 4.08Å; K7-E35 HydrophobicContact CG-CG 4.39Å; K7-E35 IonicContact NZ-OE1 3.21Å; K7-E35 PolarHBondContact NZ-OE1 3.12Å; K7-E35 IonicContact NZ-OE2 3.97Å; I8-E35 PolarHBondContact N-O 3.23Å; E35-N83 WeakPolarHBondContact CA-O 3.43Å; E35-N83 HydrophobicContact CB-CB 4.28Å; E35-N83 WeakPolarHBondContact CB-ND2 3.34Å; E35-N83 HydrophobicContact CG-CB 4.35Å; E35-N83 WeakPolarHBondContact CG-ND2 3.43Å; E35-N83 PolarHBondContact OE2-ND2 3.46Å; E35-S85 WeakPolarHBondContact OE1-CB 3.2Å; E35-S85 PolarHBondContact OE1-OG 2.87Å |
| 36 | L | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.6 | 171.3 | -179 | 64.5 | 0 | 0 | 0 | 109.5 | I8 V10 A25 V26 A29 L38 A76 V81 N83 I84 S85 | I8-L36 HydrophobicContact CG2-CD1 4.37Å; I8-L36 CarbonylContact O-C 3.52Å; I8-L36 WeakPolarHBondContact O-CA 3.4Å; V10-L36 HydrophobicContact CG1-CD1 3.97Å; A25-L36 HydrophobicContact CB-CD1 3.83Å; V26-L36 HydrophobicContact CG2-CD2 3.98Å; A29-L36 HydrophobicContact CB-CB 3.99Å; A29-L36 HydrophobicContact CB-CD1 4.43Å; L36-L38 HydrophobicContact CD2-CD2 3.97Å; L36-L38 HydrophobicContact CG-CD2 4Å; L36-A76 HydrophobicContact CD2-CB 4.13Å; L36-V81 HydrophobicContact CB-CG1 4.02Å; L36-N83 PolarHBondContact N-O 2.91Å; L36-I84 WeakPolarHBondContact O-CA 3.48Å; L36-S85 PolarHBondContact O-N 3.23Å |
| 37 | L | 98.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.1 | 170.9 | 178.3 | 67.9 | 0 | 0 | 0 | 109.7 | I8 M9 V10 S85 V87 I101 N105 I107 | I8-L37 PolarHBondContact O-N 2.89Å; M9-L37 WeakPolarHBondContact CA-O 3.49Å; M9-L37 HydrophobicContact CB-CB 4.42Å; M9-L37 HydrophobicContact CB-CD2 4.49Å; M9-L37 HydrophobicContact CG-CB 4.46Å; M9-L37 HydrophobicContact CG-CD2 4.11Å; M9-L37 HydrophobicContact CG-CG 4.33Å; M9-L37 HydrophobicContact SD-CD2 4.2Å; V10-L37 PolarHBondContact N-O 3.36Å; L37-S85 WeakPolarHBondContact CA-O 3.37Å; L37-S85 VanDerWaalsContact CD1-OG 3.24Å; L37-S85 WeakPolarHBondContact CD1-OG 3.2Å; L37-V87 HydrophobicContact CD1-CB 4.18Å; L37-V87 HydrophobicContact CD1-CG1 3.99Å; L37-V87 HydrophobicContact CD2-CG1 4.1Å; L37-V87 HydrophobicContact CG-CG1 4.21Å; L37-I101 HydrophobicContact CD2-CG2 3.85Å; L37-N105 HydrophobicContact CD2-CB 3.9Å; L37-I107 HydrophobicContact CB-CD1 4.19Å; L37-I107 HydrophobicContact CD2-CD1 3.74Å; L37-I107 HydrophobicContact CD2-CG1 4.33Å |
| 38 | L | 98.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.3 | 170.4 | -52.1 | 177.2 | 0 | 0 | 0 | 108.9 | V10 F22 L36 L69 E73 I84 S85 K86 V87 | V10-L38 HydrophobicContact CG1-CD2 3.55Å; F22-L38 HydrophobicContact CD2-CD2 3.83Å; F22-L38 HydrophobicContact CE2-CD2 3.88Å; L36-L38 HydrophobicContact CD2-CD2 3.97Å; L36-L38 HydrophobicContact CG-CD2 4Å; L38-L69 HydrophobicContact CB-CD2 4Å; L38-E73 HydrophobicContact CD1-CB 4.09Å; L38-I84 HydrophobicContact CD1-CG2 4Å; L38-I84 HydrophobicContact CG-CG2 4.17Å; L38-S85 PolarHBondContact N-O 2.72Å; L38-K86 HydrophobicContact CB-CG 4.32Å; L38-K86 HydrophobicContact CD1-CG 4.31Å; L38-K86 CarbonylContact O-C 3.59Å; L38-K86 WeakPolarHBondContact O-CA 3.38Å; L38-V87 PolarHBondContact O-N 3.37Å |
| 39 | A | 98.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M9 V10 A11 V12 V87 I101 | M9-A39 HydrophobicContact CG-CB 3.82Å; M9-A39 HydrophobicContact SD-CB 3.76Å; V10-A39 PolarHBondContact O-N 3.45Å; A11-A39 CarbonylContact C-O 3.59Å; A11-A39 VanDerWaalsContact CA-O 3.29Å; A11-A39 WeakPolarHBondContact CA-O 3.27Å; A11-A39 HydrophobicContact CB-CB 4.48Å; V12-A39 PolarHBondContact N-O 3.09Å; A39-V87 HydrophobicContact CB-CG1 3.72Å; A39-I101 HydrophobicContact CB-CD1 4.35Å; A39-I101 HydrophobicContact CB-CG2 4.49Å |
| 40 | H | 97.9 | Very high | 88.4 | Confident | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.8 | 168.6 | -168.4 | 84.5 | 0 | 0 | 0 | 109.4 | V12 A65 L69 V87 I88 E89 | V12-H40 PolarHBondContact O-ND1 3.2Å; H40-A65 WeakPolarHBondContact CD2-CB 3.34Å; H40-L69 HydrophobicContact CB-CD1 4.08Å; H40-L69 HydrophobicContact CB-CD2 4.22Å; H40-L69 HydrophobicContact CB-CG 4.29Å; H40-V87 PolarHBondContact N-O 2.95Å; H40-I88 HydrophobicContact CB-CG1 4.42Å; H40-I88 WeakPolarHBondContact O-CA 3.4Å; H40-E89 PolarHBondContact O-N 2.73Å |
| 41 | V | 96.7 | Very high | 86.8 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 117.7 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | D43 E89 P93 M96 I97 I101 | V41-D43 PolarHBondContact O-N 3.16Å; V41-E89 CarbonylContact C-O 3.59Å; V41-E89 WeakPolarHBondContact CA-O 3.42Å; V41-E89 HydrophobicContact CG2-CB 4.46Å; V41-P93 HydrophobicContact CB-CB 4.25Å; V41-P93 HydrophobicContact CB-CG 4.31Å; V41-P93 HydrophobicContact CG1-CB 4.27Å; V41-P93 HydrophobicContact CG1-CG 4.05Å; V41-M96 HydrophobicContact CG1-CB 3.98Å; V41-M96 HydrophobicContact CG1-CG 3.71Å; V41-M96 HydrophobicContact CG2-CB 3.73Å; V41-M96 HydrophobicContact CG2-CG 4.37Å; V41-I97 HydrophobicContact CG2-CD1 4.26Å; V41-I97 HydrophobicContact CG2-CG1 3.88Å; V41-I101 HydrophobicContact CG2-CD1 3.74Å |
| 42 | I | 93.2 | Very high | 85 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.5 | 174 | -53.8 | 179.2 | 0 | 0 | 0 | 107.8 | T44 F47 A61 T62 A65 I88 E89 Y90 G91 | I42-T44 PolarHBondContact O-N 2.67Å; I42-T44 VanDerWaalsContact O-N 3.1Å; I42-F47 HydrophobicContact CG2-CE2 3.55Å; I42-F47 HydrophobicContact CG2-CZ 3.71Å; I42-A61 HydrophobicContact CD1-CB 4.4Å; I42-A61 HydrophobicContact CG2-CB 4.07Å; I42-T62 WeakPolarHBondContact CD1-OG1 3.34Å; I42-A65 HydrophobicContact CD1-CB 4.43Å; I42-I88 HydrophobicContact CD1-CG2 3.71Å; I42-I88 HydrophobicContact CG1-CG2 4Å; I42-E89 PolarHBondContact N-O 3.34Å; I42-Y90 HydrophobicContact CB-CD1 4Å; I42-Y90 HydrophobicContact CB-CE1 4.32Å; I42-Y90 HydrophobicContact CD1-CD1 4.27Å; I42-Y90 HydrophobicContact CD1-CE1 3.74Å; I42-Y90 HydrophobicContact CG2-CD1 4.3Å; I42-Y90 HydrophobicContact CG2-CE1 4.48Å; I42-G91 PolarHBondContact O-N 3.5Å; I42-G91 VanDerWaalsContact O-N 3.09Å |
| 43 | D | 90.3 | Very high | 83.2 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 104.5 | -178.3 | -167.9 | -16.4 | 0 | 0 | 0 | 111.3 | V41 R45 A46 G91 P93 | V41-D43 PolarHBondContact O-N 3.16Å; D43-R45 PolarHBondContact O-N 2.97Å; D43-R45 VanDerWaalsContact O-N 3.13Å; D43-R45 VanDerWaalsContact OD1-CB 3.27Å; D43-R45 WeakPolarHBondContact OD1-CB 3.43Å; D43-R45 WeakPolarHBondContact OD1-CG 3.39Å; D43-R45 IonicContact OD1-CZ 3.69Å; D43-R45 PolarHBondContact OD1-N 2.64Å; D43-R45 IonicContact OD1-NE 2.68Å; D43-R45 PolarHBondContact OD1-NE 3.15Å; D43-R45 IonicContact OD1-NH2 3.64Å; D43-R45 IonicContact OD2-CZ 3.37Å; D43-R45 IonicContact OD2-NE 2.88Å; D43-R45 PolarHBondContact OD2-NE 3.15Å; D43-R45 IonicContact OD2-NH2 2.66Å; D43-R45 PolarHBondContact OD2-NH2 2.9Å; D43-A46 WeakPolarHBondContact O-CB 3.42Å; D43-A46 PolarHBondContact O-N 3.07Å; D43-A46 VanDerWaalsContact O-N 3.11Å; D43-G91 WeakPolarHBondContact CA-O 3.15Å; D43-P93 HydrophobicContact CB-CG 4.04Å |
| 44 | T | 83.3 | Confident | 81.9 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -64.9 | -20.2 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | I42 A46 F47 | I42-T44 PolarHBondContact O-N 2.67Å; I42-T44 VanDerWaalsContact O-N 3.1Å; T44-A46 PolarHBondContact O-N 3.29Å; T44-F47 PolarHBondContact O-N 2.96Å |
| 45 | R | 79.4 | Confident | 80.7 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 50% | 0.502 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -67.6 | -26 | 177.9 | -62.3 | 170.9 | -64.7 | 169.1 | 3.6 | 111.8 | D43 F47 Q48 | D43-R45 PolarHBondContact O-N 2.97Å; D43-R45 VanDerWaalsContact O-N 3.13Å; D43-R45 VanDerWaalsContact OD1-CB 3.27Å; D43-R45 WeakPolarHBondContact OD1-CB 3.43Å; D43-R45 WeakPolarHBondContact OD1-CG 3.39Å; D43-R45 IonicContact OD1-CZ 3.69Å; D43-R45 PolarHBondContact OD1-N 2.64Å; D43-R45 IonicContact OD1-NE 2.68Å; D43-R45 PolarHBondContact OD1-NE 3.15Å; D43-R45 IonicContact OD1-NH2 3.64Å; D43-R45 IonicContact OD2-CZ 3.37Å; D43-R45 IonicContact OD2-NE 2.88Å; D43-R45 PolarHBondContact OD2-NE 3.15Å; D43-R45 IonicContact OD2-NH2 2.66Å; D43-R45 PolarHBondContact OD2-NH2 2.9Å; R45-F47 PolarHBondContact O-N 3.05Å; R45-Q48 PolarHBondContact O-N 3.06Å |
| 46 | A | 73.7 | Confident | 79.8 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -64.3 | -21.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D43 T44 | D43-A46 WeakPolarHBondContact O-CB 3.42Å; D43-A46 PolarHBondContact O-N 3.07Å; D43-A46 VanDerWaalsContact O-N 3.11Å; T44-A46 PolarHBondContact O-N 3.29Å |
| 47 | F | 72.8 | Confident | 79 | Confident | 39 Ų | 39 | 68 Ų | 68 | 17% | 0.171 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -100.1 | -10.7 | -179 | -47.8 | -69.8 | 0 | 0 | 0 | 114 | I42 T44 R45 T49 V50 L57 A58 A61 | I42-F47 HydrophobicContact CG2-CE2 3.55Å; I42-F47 HydrophobicContact CG2-CZ 3.71Å; T44-F47 PolarHBondContact O-N 2.96Å; R45-F47 PolarHBondContact O-N 3.05Å; F47-T49 PolarHBondContact O-N 3.5Å; F47-V50 PolarHBondContact O-N 2.64Å; F47-L57 HydrophobicContact CD1-CB 4.13Å; F47-L57 HydrophobicContact CE1-CB 4.02Å; F47-A58 HydrophobicContact CZ-CB 4.49Å; F47-A61 HydrophobicContact CZ-CB 4.02Å |
| 48 | Q | 66.7 | Low | 78.2 | Confident | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.8 | -173 | -74.4 | -172.5 | -26.2 | 0 | 0 | 115 | R45 | R45-Q48 PolarHBondContact O-N 3.06Š|
| 49 | T | 63.6 | Low | 77.7 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 76% | 0.761 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -3.3 | -174.8 | 53.2 | 0 | 0 | 0 | 0 | 115.5 | F47 | F47-T49 PolarHBondContact O-N 3.5Š|
| 50 | V | 60.2 | Low | 77.2 | Confident | 59 Ų | 59 | 80.2 Ų | 80.2 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -137.2 | 69.5 | -166.3 | -153.9 | 0 | 0 | 0 | 0 | 115.2 | F47 S52 F53 | F47-V50 PolarHBondContact O-N 2.64Å; V50-S52 PolarHBondContact O-N 2.8Å; V50-F53 HydrophobicContact CB-CB 4.42Å; V50-F53 HydrophobicContact CG1-CB 3.83Å; V50-F53 HydrophobicContact CG1-CD2 4Å; V50-F53 HydrophobicContact CG1-CG 4.27Å; V50-F53 PolarHBondContact O-N 3.21Å | ||
| 51 | S | 62.4 | Low | 76.8 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 78% | 0.776 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.3 | -10.6 | -172.1 | 63 | 0 | 0 | 0 | 0 | 122.2 | ||
| 52 | S | 58.6 | Low | 76.6 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.9 | -17.8 | 179.6 | -41.2 | 0 | 0 | 0 | 0 | 114.3 | V50 D54 | V50-S52 PolarHBondContact O-N 2.8Å; S52-D54 VanDerWaalsContact C-N 3.32Å |
| 53 | F | 60.1 | Low | 76.7 | Confident | 138 Ų | 138 | 83.1 Ų | 83.1 | 61% | 0.605 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.7 | 176.5 | -83 | -93.4 | 0 | 0 | 0 | 112.1 | V50 N55 V56 L57 | V50-F53 HydrophobicContact CB-CB 4.42Å; V50-F53 HydrophobicContact CG1-CB 3.83Å; V50-F53 HydrophobicContact CG1-CD2 4Å; V50-F53 HydrophobicContact CG1-CG 4.27Å; V50-F53 PolarHBondContact O-N 3.21Å; F53-N55 PolarHBondContact O-N 3Å; F53-V56 PolarHBondContact O-N 3.43Å; F53-L57 HydrophobicContact CB-CD1 3.92Å; F53-L57 HydrophobicContact CB-CG 4.35Å; F53-L57 WeakPolarHBondContact O-CB 3.46Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 3.11Å |
| 54 | D | 68.3 | Low | 76.9 | Confident | 45 Ų | 45 | 87.6 Ų | 87.6 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | -169.4 | -63.4 | -27.9 | 0 | 0 | 0 | 114.1 | S52 V56 L57 A58 | S52-D54 VanDerWaalsContact C-N 3.32Å; D54-V56 PolarHBondContact O-N 3.29Å; D54-L57 PolarHBondContact O-N 2.92Å; D54-A58 WeakPolarHBondContact O-CB 3.26Å; D54-A58 PolarHBondContact O-N 2.84Å |
| 55 | N | 73.3 | Confident | 77.4 | Confident | 141 Ų | 141 | 85.1 Ų | 85.1 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | -176.5 | -72.4 | -17.8 | 0 | 0 | 0 | 112.1 | F53 E59 | F53-N55 PolarHBondContact O-N 3Å; N55-E59 WeakPolarHBondContact O-CB 3.47Å; N55-E59 PolarHBondContact O-N 2.82Å |
| 56 | V | 81 | Confident | 78.3 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 49% | 0.485 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | F53 D54 E59 Q60 | F53-V56 PolarHBondContact O-N 3.43Å; D54-V56 PolarHBondContact O-N 3.29Å; V56-E59 PolarHBondContact O-N 3.41Å; V56-Q60 WeakPolarHBondContact O-CB 3.31Å; V56-Q60 VanDerWaalsContact O-CG 3.25Å; V56-Q60 WeakPolarHBondContact O-CG 3.39Å; V56-Q60 PolarHBondContact O-N 3.04Å |
| 57 | L | 81.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.9 | -69.5 | 176.3 | 0 | 0 | 0 | 112 | F47 F53 D54 Q60 A61 | F47-L57 HydrophobicContact CD1-CB 4.13Å; F47-L57 HydrophobicContact CE1-CB 4.02Å; F53-L57 HydrophobicContact CB-CD1 3.92Å; F53-L57 HydrophobicContact CB-CG 4.35Å; F53-L57 WeakPolarHBondContact O-CB 3.46Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 3.11Å; D54-L57 PolarHBondContact O-N 2.92Å; L57-Q60 PolarHBondContact O-N 3.42Å; L57-A61 VanDerWaalsContact O-CB 3.32Å; L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 3.33Å |
| 58 | A | 82.4 | Confident | 80.4 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F47 D54 A61 T62 | F47-A58 HydrophobicContact CZ-CB 4.49Å; D54-A58 WeakPolarHBondContact O-CB 3.26Å; D54-A58 PolarHBondContact O-N 2.84Å; A58-A61 PolarHBondContact O-N 2.95Å; A58-T62 WeakPolarHBondContact O-CB 3.39Å; A58-T62 PolarHBondContact O-N 2.9Å; A58-T62 PolarHBondContact O-OG1 2.92Å |
| 59 | E | 87 | Confident | 81.9 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 174.7 | -174.6 | 173.6 | -159.5 | 0 | 0 | 111.1 | N55 V56 A61 T62 D63 | N55-E59 WeakPolarHBondContact O-CB 3.47Å; N55-E59 PolarHBondContact O-N 2.82Å; V56-E59 PolarHBondContact O-N 3.41Å; E59-A61 PolarHBondContact O-N 2.9Å; E59-T62 WeakPolarHBondContact O-CB 3.47Å; E59-T62 PolarHBondContact O-N 3.03Å; E59-T62 VanDerWaalsContact O-N 3.13Å; E59-D63 PolarHBondContact O-N 3.05Å |
| 60 | Q | 89.2 | Confident | 83.5 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.3 | -75.9 | 177.5 | -16.8 | 0 | 0 | 112.8 | V56 L57 T62 D63 M64 | V56-Q60 WeakPolarHBondContact O-CB 3.31Å; V56-Q60 VanDerWaalsContact O-CG 3.25Å; V56-Q60 WeakPolarHBondContact O-CG 3.39Å; V56-Q60 PolarHBondContact O-N 3.04Å; L57-Q60 PolarHBondContact O-N 3.42Å; Q60-T62 VanDerWaalsContact C-N 3.25Å; Q60-T62 PolarHBondContact O-N 3.32Å; Q60-D63 PolarHBondContact O-N 3.39Å; Q60-M64 WeakPolarHBondContact O-CB 3.45Å; Q60-M64 PolarHBondContact O-N 3.29Å |
| 61 | A | 89.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I42 F47 L57 A58 E59 A65 | I42-A61 HydrophobicContact CD1-CB 4.4Å; I42-A61 HydrophobicContact CG2-CB 4.07Å; F47-A61 HydrophobicContact CZ-CB 4.02Å; L57-A61 VanDerWaalsContact O-CB 3.32Å; L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 3.33Å; A58-A61 PolarHBondContact O-N 2.95Å; E59-A61 PolarHBondContact O-N 2.9Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.16Å; A61-A65 PolarHBondContact O-N 2.69Å |
| 62 | T | 92.7 | Very high | 87 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 112 | I42 A58 E59 Q60 A65 K66 Y90 | I42-T62 WeakPolarHBondContact CD1-OG1 3.34Å; A58-T62 WeakPolarHBondContact O-CB 3.39Å; A58-T62 PolarHBondContact O-N 2.9Å; A58-T62 PolarHBondContact O-OG1 2.92Å; E59-T62 WeakPolarHBondContact O-CB 3.47Å; E59-T62 PolarHBondContact O-N 3.03Å; E59-T62 VanDerWaalsContact O-N 3.13Å; Q60-T62 VanDerWaalsContact C-N 3.25Å; Q60-T62 PolarHBondContact O-N 3.32Å; T62-A65 PolarHBondContact O-N 2.78Å; T62-K66 VanDerWaalsContact O-CG 3.31Å; T62-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.23Å; T62-Y90 WeakPolarHBondContact CG2-OH 3.42Å; T62-Y90 PolarHBondContact OG1-OH 3.39Å |
| 63 | D | 95.2 | Very high | 88.9 | Confident | 78 Ų | 78 | 69 Ų | 69 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 179.8 | -71.2 | -15.9 | 0 | 0 | 0 | 111.7 | E59 Q60 K66 Q67 | E59-D63 PolarHBondContact O-N 3.05Å; Q60-D63 PolarHBondContact O-N 3.39Å; D63-K66 PolarHBondContact O-N 2.92Å; D63-K66 IonicContact OD1-NZ 3.32Å; D63-K66 PolarHBondContact OD1-NZ 3.33Å; D63-Q67 PolarHBondContact O-N 2.87Å |
| 64 | M | 93.6 | Very high | 90.8 | Very high | 139 Ų | 139 | 65 Ų | 65 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 171.4 | -175 | 177.7 | -69.1 | 0 | 0 | 111.9 | Q60 Q67 T68 | Q60-M64 WeakPolarHBondContact O-CB 3.45Å; Q60-M64 PolarHBondContact O-N 3.29Å; M64-Q67 PolarHBondContact O-N 2.84Å; M64-T68 WeakPolarHBondContact O-CB 3.37Å; M64-T68 PolarHBondContact O-N 3.45Å; M64-T68 PolarHBondContact O-OG1 2.92Å |
| 65 | A | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H40 I42 A61 T62 T68 L69 I88 | H40-A65 WeakPolarHBondContact CD2-CB 3.34Å; I42-A65 HydrophobicContact CD1-CB 4.43Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.16Å; A61-A65 PolarHBondContact O-N 2.69Å; T62-A65 PolarHBondContact O-N 2.78Å; A65-T68 PolarHBondContact O-N 3.14Å; A65-L69 WeakPolarHBondContact O-CG 3.44Å; A65-L69 PolarHBondContact O-N 3.28Å; A65-I88 HydrophobicContact CB-CD1 3.92Å; A65-I88 HydrophobicContact CB-CG1 4.41Å; A65-I88 HydrophobicContact CB-CG2 4.37Å |
| 66 | K | 96.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.9 | -51.3 | 175.1 | -74.9 | 172 | -169.2 | 150.4 | 0 | 111.4 | T62 D63 T68 L69 D70 I88 | T62-K66 VanDerWaalsContact O-CG 3.31Å; T62-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.23Å; D63-K66 PolarHBondContact O-N 2.92Å; D63-K66 IonicContact OD1-NZ 3.32Å; D63-K66 PolarHBondContact OD1-NZ 3.33Å; K66-T68 VanDerWaalsContact C-N 3.29Å; K66-T68 PolarHBondContact O-N 2.92Å; K66-L69 PolarHBondContact O-N 3.31Å; K66-L69 VanDerWaalsContact O-N 3.17Å; K66-D70 WeakPolarHBondContact O-CB 3.43Å; K66-D70 VanDerWaalsContact O-CG 3.24Å; K66-D70 PolarHBondContact O-N 3.1Å; K66-I88 HydrophobicContact CB-CD1 4.25Å; K66-I88 HydrophobicContact CG-CD1 3.52Å |
| 67 | Q | 96.4 | Very high | 94.2 | Very high | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 179.8 | -176.1 | 60.1 | 57.1 | 0 | 0 | 111.3 | D63 M64 L69 D70 D71 | D63-Q67 PolarHBondContact O-N 2.87Å; M64-Q67 PolarHBondContact O-N 2.84Å; Q67-L69 PolarHBondContact O-N 2.97Å; Q67-D70 PolarHBondContact O-N 2.85Å; Q67-D71 PolarHBondContact NE2-OD1 3.18Å; Q67-D71 VanDerWaalsContact O-CG 3.27Å; Q67-D71 PolarHBondContact O-N 3.27Å |
| 68 | T | 95.4 | Very high | 95 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | M64 A65 K66 D71 Y72 | M64-T68 WeakPolarHBondContact O-CB 3.37Å; M64-T68 PolarHBondContact O-N 3.45Å; M64-T68 PolarHBondContact O-OG1 2.92Å; A65-T68 PolarHBondContact O-N 3.14Å; K66-T68 VanDerWaalsContact C-N 3.29Å; K66-T68 PolarHBondContact O-N 2.92Å; T68-D71 PolarHBondContact O-N 3.31Å; T68-Y72 HydrophobicContact CG2-CD2 3.91Å; T68-Y72 HydrophobicContact CG2-CE2 3.57Å; T68-Y72 VanDerWaalsContact O-CD2 3.24Å; T68-Y72 WeakPolarHBondContact O-CD2 3.33Å; T68-Y72 PolarHBondContact O-N 2.56Å; T68-Y72 VanDerWaalsContact O-N 3.11Å |
| 69 | L | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.8 | -31.6 | 177.7 | -64.9 | -170.1 | 0 | 0 | 0 | 113 | V12 L38 H40 A65 K66 Q67 Y72 E73 K86 I88 | V12-L69 HydrophobicContact CG2-CD2 3.42Å; V12-L69 VanDerWaalsContact CG2-CD2 3.42Å; L38-L69 HydrophobicContact CB-CD2 4Å; H40-L69 HydrophobicContact CB-CD1 4.08Å; H40-L69 HydrophobicContact CB-CD2 4.22Å; H40-L69 HydrophobicContact CB-CG 4.29Å; A65-L69 WeakPolarHBondContact O-CG 3.44Å; A65-L69 PolarHBondContact O-N 3.28Å; K66-L69 PolarHBondContact O-N 3.31Å; K66-L69 VanDerWaalsContact O-N 3.17Å; Q67-L69 PolarHBondContact O-N 2.97Å; L69-Y72 HydrophobicContact CD2-CD2 4.48Å; L69-E73 VanDerWaalsContact O-CB 3.3Å; L69-E73 WeakPolarHBondContact O-CB 3.18Å; L69-E73 PolarHBondContact O-N 3.09Å; L69-K86 HydrophobicContact CB-CD 3.81Å; L69-K86 HydrophobicContact CB-CG 4.34Å; L69-K86 HydrophobicContact CD1-CB 4.15Å; L69-I88 HydrophobicContact CD1-CD1 4.15Å; L69-I88 HydrophobicContact CD1-CG1 3.6Å |
| 70 | D | 98.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 173.9 | -71.4 | -7.4 | 0 | 0 | 0 | 110.9 | K66 Q67 E73 A74 K86 | K66-D70 WeakPolarHBondContact O-CB 3.43Å; K66-D70 VanDerWaalsContact O-CG 3.24Å; K66-D70 PolarHBondContact O-N 3.1Å; Q67-D70 PolarHBondContact O-N 2.85Å; D70-E73 PolarHBondContact O-N 2.89Å; D70-A74 WeakPolarHBondContact O-CB 3.12Å; D70-A74 PolarHBondContact O-N 2.92Å; D70-K86 IonicContact OD1-NZ 2.95Å; D70-K86 PolarHBondContact OD1-NZ 3.17Å |
| 71 | D | 97.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.9 | -65.9 | -22.9 | 0 | 0 | 0 | 111.1 | Q67 T68 A74 E75 | Q67-D71 PolarHBondContact NE2-OD1 3.18Å; Q67-D71 VanDerWaalsContact O-CG 3.27Å; Q67-D71 PolarHBondContact O-N 3.27Å; T68-D71 PolarHBondContact O-N 3.31Å; D71-A74 PolarHBondContact O-N 2.93Å; D71-E75 PolarHBondContact O-N 3.33Å |
| 72 | Y | 98.3 | Very high | 97 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 174.7 | -76.7 | -45.5 | 0 | 0 | 0 | 113.1 | V12 E19 F22 T68 L69 E75 A76 | V12-Y72 HydrophobicContact CB-CD2 4.29Å; V12-Y72 HydrophobicContact CB-CE2 3.74Å; V12-Y72 HydrophobicContact CG1-CD2 4.24Å; V12-Y72 HydrophobicContact CG1-CE2 3.85Å; V12-Y72 HydrophobicContact CG2-CD2 3.88Å; V12-Y72 HydrophobicContact CG2-CE2 3.77Å; E19-Y72 HydrophobicContact CG-CE1 4.23Å; F22-Y72 HydrophobicContact CB-CD1 4.42Å; F22-Y72 HydrophobicContact CB-CE1 4.27Å; F22-Y72 AromaticContact CD1-CD1 3.41Å; F22-Y72 HydrophobicContact CD1-CD1 3.41Å; F22-Y72 VanDerWaalsContact CD1-CD1 3.41Å; F22-Y72 AromaticContact CD1-CE1 3.64Å; F22-Y72 HydrophobicContact CD1-CE1 3.64Å; F22-Y72 HydrophobicContact CD1-CG 4.41Å; F22-Y72 AromaticContact CD2-CD1 3.81Å; F22-Y72 HydrophobicContact CD2-CD1 3.81Å; F22-Y72 HydrophobicContact CD2-CE1 4.48Å; F22-Y72 HydrophobicContact CD2-CG 4.03Å; F22-Y72 AromaticContact CE1-CD1 3.49Å; F22-Y72 HydrophobicContact CE1-CD1 3.49Å; F22-Y72 VanDerWaalsContact CE1-CD1 3.49Å; F22-Y72 HydrophobicContact CE1-CE1 4.11Å; F22-Y72 HydrophobicContact CE1-CG 4.43Å; F22-Y72 AromaticContact CE2-CD1 3.88Å; F22-Y72 HydrophobicContact CE2-CD1 3.88Å; F22-Y72 HydrophobicContact CE2-CG 4.04Å; F22-Y72 WeakPolarHBondContact CE2-O 3.4Å; F22-Y72 AromaticContact CG-CD1 3.59Å; F22-Y72 HydrophobicContact CG-CD1 3.59Å; F22-Y72 AromaticContact CG-CE1 3.85Å; F22-Y72 HydrophobicContact CG-CE1 3.85Å; F22-Y72 HydrophobicContact CG-CG 4.22Å; F22-Y72 AromaticContact CZ-CD1 3.73Å; F22-Y72 HydrophobicContact CZ-CD1 3.73Å; F22-Y72 HydrophobicContact CZ-CG 4.25Å; F22-Y72 WeakPolarHBondContact CZ-O 3.32Å; T68-Y72 HydrophobicContact CG2-CD2 3.91Å; T68-Y72 HydrophobicContact CG2-CE2 3.57Å; T68-Y72 VanDerWaalsContact O-CD2 3.24Å; T68-Y72 WeakPolarHBondContact O-CD2 3.33Å; T68-Y72 PolarHBondContact O-N 2.56Å; T68-Y72 VanDerWaalsContact O-N 3.11Å; L69-Y72 HydrophobicContact CD2-CD2 4.48Å; Y72-E75 PolarHBondContact O-N 3.07Å; Y72-A76 WeakPolarHBondContact O-CB 3.4Å; Y72-A76 PolarHBondContact O-N 3.14Å |
| 73 | E | 98.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.8 | 174.6 | 176.5 | -149.6 | 0 | 0 | 110.6 | L38 L69 D70 E75 A76 Q77 I84 K86 | L38-E73 HydrophobicContact CD1-CB 4.09Å; L69-E73 VanDerWaalsContact O-CB 3.3Å; L69-E73 WeakPolarHBondContact O-CB 3.18Å; L69-E73 PolarHBondContact O-N 3.09Å; D70-E73 PolarHBondContact O-N 2.89Å; E73-E75 VanDerWaalsContact C-N 3.31Å; E73-E75 PolarHBondContact O-N 3.47Å; E73-A76 PolarHBondContact O-N 2.91Å; E73-Q77 HydrophobicContact CG-CG 4.24Å; E73-Q77 WeakPolarHBondContact O-CB 3.28Å; E73-Q77 VanDerWaalsContact O-CG 3.27Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.04Å; E73-Q77 PolarHBondContact OE1-NE2 3.08Å; E73-I84 HydrophobicContact CB-CG2 4.36Å; E73-I84 HydrophobicContact CG-CD1 4.47Å; E73-I84 HydrophobicContact CG-CG2 4.03Å; E73-K86 HydrophobicContact CB-CD 4.21Å; E73-K86 VanDerWaalsContact OE2-CE 3.25Å; E73-K86 WeakPolarHBondContact OE2-CE 3.49Å; E73-K86 IonicContact OE2-NZ 2.59Å; E73-K86 PolarHBondContact OE2-NZ 3.38Å |
| 74 | A | 98.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D70 D71 K78 | D70-A74 WeakPolarHBondContact O-CB 3.12Å; D70-A74 PolarHBondContact O-N 2.92Å; D71-A74 PolarHBondContact O-N 2.93Å; A74-K78 VanDerWaalsContact O-CB 3.28Å; A74-K78 WeakPolarHBondContact O-CB 3.06Å; A74-K78 PolarHBondContact O-N 3.04Å |
| 75 | E | 98.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.5 | -173 | 176.3 | 156.1 | 0 | 0 | 111.9 | F22 D71 Y72 E73 K78 A79 | F22-E75 HydrophobicContact CE1-CB 4.18Å; F22-E75 HydrophobicContact CE1-CG 4.04Å; F22-E75 HydrophobicContact CZ-CB 4.04Å; F22-E75 HydrophobicContact CZ-CG 4.28Å; D71-E75 PolarHBondContact O-N 3.33Å; Y72-E75 PolarHBondContact O-N 3.07Å; E73-E75 VanDerWaalsContact C-N 3.31Å; E73-E75 PolarHBondContact O-N 3.47Å; E75-K78 PolarHBondContact O-N 3.21Å; E75-A79 WeakPolarHBondContact O-CB 3.14Å; E75-A79 PolarHBondContact O-N 3Å |
| 76 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F22 V26 L36 Y72 E73 A79 G80 V81 I84 | F22-A76 HydrophobicContact CE2-CB 4.12Å; F22-A76 HydrophobicContact CZ-CB 4.1Å; V26-A76 HydrophobicContact CG2-CB 3.78Å; L36-A76 HydrophobicContact CD2-CB 4.13Å; Y72-A76 WeakPolarHBondContact O-CB 3.4Å; Y72-A76 PolarHBondContact O-N 3.14Å; E73-A76 PolarHBondContact O-N 2.91Å; A76-A79 PolarHBondContact O-N 2.67Å; A76-G80 PolarHBondContact O-N 3.15Å; A76-G80 VanDerWaalsContact O-N 3.14Å; A76-V81 HydrophobicContact CB-CB 4.45Å; A76-V81 HydrophobicContact CB-CG2 4.33Å; A76-V81 PolarHBondContact O-N 2.99Å; A76-I84 HydrophobicContact CB-CD1 3.68Å; A76-I84 HydrophobicContact CB-CG1 4.34Å |
| 77 | Q | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 63.7 Ų | 63.7 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.5 | -74 | 178.7 | -0 | 0 | 0 | 110.8 | E73 A79 G80 I84 | E73-Q77 HydrophobicContact CG-CG 4.24Å; E73-Q77 WeakPolarHBondContact O-CB 3.28Å; E73-Q77 VanDerWaalsContact O-CG 3.27Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.04Å; E73-Q77 PolarHBondContact OE1-NE2 3.08Å; Q77-A79 PolarHBondContact O-N 2.89Å; Q77-G80 WeakPolarHBondContact O-CA 3.13Å; Q77-G80 PolarHBondContact O-N 2.93Å; Q77-I84 HydrophobicContact CB-CD1 4.25Å; Q77-I84 HydrophobicContact CG-CD1 3.37Å |
| 78 | K | 98.1 | Very high | 97.9 | Very high | 194 Ų | 194 | 60.7 Ų | 60.7 | 84% | 0.843 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.9 | -34.2 | 177 | -175.5 | -179.6 | 177.6 | -175.4 | 0 | 112.1 | A74 E75 G80 | A74-K78 VanDerWaalsContact O-CB 3.28Å; A74-K78 WeakPolarHBondContact O-CB 3.06Å; A74-K78 PolarHBondContact O-N 3.04Å; E75-K78 PolarHBondContact O-N 3.21Å; K78-G80 PolarHBondContact O-N 2.85Å |
| 79 | A | 97.8 | Very high | 98 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.5 | -14.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V26 K30 E75 A76 Q77 | V26-A79 HydrophobicContact CG1-CB 3.49Å; V26-A79 VanDerWaalsContact CG1-CB 3.49Å; K30-A79 VanDerWaalsContact CD-O 3.3Å; K30-A79 WeakPolarHBondContact CD-O 3.15Å; K30-A79 WeakPolarHBondContact CE-O 3.23Å; K30-A79 PolarHBondContact NZ-O 2.89Å; E75-A79 WeakPolarHBondContact O-CB 3.14Å; E75-A79 PolarHBondContact O-N 3Å; A76-A79 PolarHBondContact O-N 2.67Å; Q77-A79 PolarHBondContact O-N 2.89Å |
| 80 | G | 97.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 67 Ų | 67 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | 15.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A76 Q77 K78 | A76-G80 PolarHBondContact O-N 3.15Å; A76-G80 VanDerWaalsContact O-N 3.14Å; Q77-G80 WeakPolarHBondContact O-CA 3.13Å; Q77-G80 PolarHBondContact O-N 2.93Å; K78-G80 PolarHBondContact O-N 2.85Å |
| 81 | V | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | trans | -71.3 | 128.8 | 168.8 | -176 | 0 | 0 | 0 | 0 | 108.3 | V26 A29 K30 L36 A76 I84 | V26-V81 HydrophobicContact CB-CG2 4.41Å; V26-V81 HydrophobicContact CG1-CG2 3.87Å; A29-V81 HydrophobicContact CB-CG1 4.28Å; A29-V81 HydrophobicContact CB-CG2 4.39Å; K30-V81 HydrophobicContact CD-CG2 4.3Å; K30-V81 HydrophobicContact CG-CG2 3.77Å; L36-V81 HydrophobicContact CB-CG1 4.02Å; A76-V81 HydrophobicContact CB-CB 4.45Å; A76-V81 HydrophobicContact CB-CG2 4.33Å; A76-V81 PolarHBondContact O-N 2.99Å; V81-I84 HydrophobicContact CB-CD1 4.01Å; V81-I84 HydrophobicContact CB-CG1 3.98Å; V81-I84 HydrophobicContact CG1-CD1 4.16Å; V81-I84 HydrophobicContact CG1-CG1 3.56Å | ||
| 82 | K | 95.7 | Very high | 97.3 | Very high | 209 Ų | 209 | 61.6 Ų | 61.6 | 91% | 0.909 | 32% | 0.322 | S | S | * | . | trans | -92 | -34.7 | -173 | -66.4 | -177.7 | -179 | 175.8 | 0 | 114.2 | ||||
| 83 | N | 98 | Very high | 97.2 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | trans | -117.6 | 107.4 | -178.5 | -172.6 | 9.1 | 0 | 0 | 0 | 108.4 | E35 L36 | E35-N83 WeakPolarHBondContact CA-O 3.43Å; E35-N83 HydrophobicContact CB-CB 4.28Å; E35-N83 WeakPolarHBondContact CB-ND2 3.34Å; E35-N83 HydrophobicContact CG-CB 4.35Å; E35-N83 WeakPolarHBondContact CG-ND2 3.43Å; E35-N83 PolarHBondContact OE2-ND2 3.46Å; L36-N83 PolarHBondContact N-O 2.91Å | ||
| 84 | I | 98.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.2 | -179.6 | -59 | 155.6 | 0 | 0 | 0 | 106.8 | L36 L38 E73 A76 Q77 V81 | L36-I84 WeakPolarHBondContact O-CA 3.48Å; L38-I84 HydrophobicContact CD1-CG2 4Å; L38-I84 HydrophobicContact CG-CG2 4.17Å; E73-I84 HydrophobicContact CB-CG2 4.36Å; E73-I84 HydrophobicContact CG-CD1 4.47Å; E73-I84 HydrophobicContact CG-CG2 4.03Å; A76-I84 HydrophobicContact CB-CD1 3.68Å; A76-I84 HydrophobicContact CB-CG1 4.34Å; Q77-I84 HydrophobicContact CB-CD1 4.25Å; Q77-I84 HydrophobicContact CG-CD1 3.37Å; V81-I84 HydrophobicContact CB-CD1 4.01Å; V81-I84 HydrophobicContact CB-CG1 3.98Å; V81-I84 HydrophobicContact CG1-CD1 4.16Å; V81-I84 HydrophobicContact CG1-CG1 3.56Å |
| 85 | S | 98.5 | Very high | 97 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.3 | 173.4 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | E35 L36 L37 L38 | E35-S85 WeakPolarHBondContact OE1-CB 3.2Å; E35-S85 PolarHBondContact OE1-OG 2.87Å; L36-S85 PolarHBondContact O-N 3.23Å; L37-S85 WeakPolarHBondContact CA-O 3.37Å; L37-S85 VanDerWaalsContact CD1-OG 3.24Å; L37-S85 WeakPolarHBondContact CD1-OG 3.2Å; L38-S85 PolarHBondContact N-O 2.72Å |
| 86 | K | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.5 | -177.3 | -63.3 | 179.7 | -62.3 | -163.1 | 0 | 109.6 | L38 L69 D70 E73 | L38-K86 HydrophobicContact CB-CG 4.32Å; L38-K86 HydrophobicContact CD1-CG 4.31Å; L38-K86 CarbonylContact O-C 3.59Å; L38-K86 WeakPolarHBondContact O-CA 3.38Å; L69-K86 HydrophobicContact CB-CD 3.81Å; L69-K86 HydrophobicContact CB-CG 4.34Å; L69-K86 HydrophobicContact CD1-CB 4.15Å; D70-K86 IonicContact OD1-NZ 2.95Å; D70-K86 PolarHBondContact OD1-NZ 3.17Å; E73-K86 HydrophobicContact CB-CD 4.21Å; E73-K86 VanDerWaalsContact OE2-CE 3.25Å; E73-K86 WeakPolarHBondContact OE2-CE 3.49Å; E73-K86 IonicContact OE2-NZ 2.59Å; E73-K86 PolarHBondContact OE2-NZ 3.38Å |
| 87 | V | 98.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.4 | 171.2 | 70 | 0 | 0 | 0 | 0 | 110.4 | L37 L38 A39 H40 E89 I101 | L37-V87 HydrophobicContact CD1-CB 4.18Å; L37-V87 HydrophobicContact CD1-CG1 3.99Å; L37-V87 HydrophobicContact CD2-CG1 4.1Å; L37-V87 HydrophobicContact CG-CG1 4.21Å; L38-V87 PolarHBondContact O-N 3.37Å; A39-V87 HydrophobicContact CB-CG1 3.72Å; H40-V87 PolarHBondContact N-O 2.95Å; V87-E89 HydrophobicContact CG2-CG 3.91Å; V87-I101 HydrophobicContact CG1-CD1 4.41Å; V87-I101 HydrophobicContact CG1-CG2 3.83Å |
| 88 | I | 97.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.205 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.2 | 170.5 | -61.1 | 173.2 | 0 | 0 | 0 | 106.4 | H40 I42 A65 K66 L69 | H40-I88 HydrophobicContact CB-CG1 4.42Å; H40-I88 WeakPolarHBondContact O-CA 3.4Å; I42-I88 HydrophobicContact CD1-CG2 3.71Å; I42-I88 HydrophobicContact CG1-CG2 4Å; A65-I88 HydrophobicContact CB-CD1 3.92Å; A65-I88 HydrophobicContact CB-CG1 4.41Å; A65-I88 HydrophobicContact CB-CG2 4.37Å; K66-I88 HydrophobicContact CB-CD1 4.25Å; K66-I88 HydrophobicContact CG-CD1 3.52Å; L69-I88 HydrophobicContact CD1-CD1 4.15Å; L69-I88 HydrophobicContact CD1-CG1 3.6Å |
| 89 | E | 96.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 158.4 | 179.7 | -75.4 | -57.6 | 160.2 | 0 | 0 | 111.9 | H40 V41 I42 V87 M96 I101 | H40-E89 PolarHBondContact O-N 2.73Å; V41-E89 CarbonylContact C-O 3.59Å; V41-E89 WeakPolarHBondContact CA-O 3.42Å; V41-E89 HydrophobicContact CG2-CB 4.46Å; I42-E89 PolarHBondContact N-O 3.34Å; V87-E89 HydrophobicContact CG2-CG 3.91Å; E89-M96 HydrophobicContact CB-CE 3.58Å; E89-M96 HydrophobicContact CG-CE 3.79Å; E89-I101 HydrophobicContact CB-CD1 4.13Å; E89-I101 HydrophobicContact CG-CD1 3.84Å; E89-I101 HydrophobicContact CG-CG1 3.79Å |
| 90 | Y | 93.5 | Very high | 96.9 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 43% | 0.431 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.8 | 177.1 | -60.6 | -100.5 | 0 | 0 | 0 | 109.4 | I42 T62 | I42-Y90 HydrophobicContact CB-CD1 4Å; I42-Y90 HydrophobicContact CB-CE1 4.32Å; I42-Y90 HydrophobicContact CD1-CD1 4.27Å; I42-Y90 HydrophobicContact CD1-CE1 3.74Å; I42-Y90 HydrophobicContact CG2-CD1 4.3Å; I42-Y90 HydrophobicContact CG2-CE1 4.48Å; T62-Y90 WeakPolarHBondContact CG2-OH 3.42Å; T62-Y90 PolarHBondContact OG1-OH 3.39Å |
| 91 | G | 93.7 | Very high | 97 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I42 D43 P93 | I42-G91 PolarHBondContact O-N 3.5Å; I42-G91 VanDerWaalsContact O-N 3.09Å; D43-G91 WeakPolarHBondContact CA-O 3.15Å; G91-P93 VanDerWaalsContact O-CD 3.28Å; G91-P93 WeakPolarHBondContact O-CD 3.33Å |
| 92 | A | 94.1 | Very high | 97 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | trans | -80 | 113.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K94 V95 M96 | A92-K94 PolarHBondContact O-N 2.96Å; A92-V95 HydrophobicContact CB-CB 4.49Å; A92-V95 HydrophobicContact CB-CG2 4.35Å; A92-V95 PolarHBondContact O-N 3.24Å; A92-M96 WeakPolarHBondContact O-CG 3.38Å; A92-M96 PolarHBondContact O-N 3.36Å | ||
| 93 | P | 95.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51.8 | -40 | -173.5 | -29.8 | 36.5 | 0 | 0 | 0 | 114.1 | V41 D43 G91 V95 M96 I97 V128 | V41-P93 HydrophobicContact CB-CB 4.25Å; V41-P93 HydrophobicContact CB-CG 4.31Å; V41-P93 HydrophobicContact CG1-CB 4.27Å; V41-P93 HydrophobicContact CG1-CG 4.05Å; D43-P93 HydrophobicContact CB-CG 4.04Å; G91-P93 VanDerWaalsContact O-CD 3.28Å; G91-P93 WeakPolarHBondContact O-CD 3.33Å; P93-V95 PolarHBondContact O-N 3.38Å; P93-M96 PolarHBondContact O-N 3.47Å; P93-I97 HydrophobicContact CB-CD1 4.23Å; P93-I97 VanDerWaalsContact O-CB 3.24Å; P93-I97 WeakPolarHBondContact O-CB 3.24Å; P93-I97 WeakPolarHBondContact O-CD1 3.46Å; P93-I97 WeakPolarHBondContact O-CG1 3.45Å; P93-I97 PolarHBondContact O-N 3.04Å; P93-V128 HydrophobicContact CB-CG2 4.18Å |
| 94 | K | 95.7 | Very high | 97.1 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 27% | 0.274 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.6 | -49.9 | 175.6 | -69.6 | -173.5 | -174.3 | -155.4 | 0 | 113.3 | A92 A98 S127 V128 Y131 | A92-K94 PolarHBondContact O-N 2.96Å; K94-A98 WeakPolarHBondContact O-CB 3.4Å; K94-A98 PolarHBondContact O-N 2.89Å; K94-A98 VanDerWaalsContact O-N 3.14Å; K94-S127 WeakPolarHBondContact CE-O 3.25Å; K94-S127 WeakPolarHBondContact CE-OG 3.5Å; K94-S127 VanDerWaalsContact NZ-CB 3.26Å; K94-S127 PolarHBondContact NZ-O 3.11Å; K94-S127 PolarHBondContact NZ-OG 3.01Å; K94-S127 VanDerWaalsContact NZ-OG 3.15Å; K94-V128 HydrophobicContact CG-CG2 4.17Å; K94-Y131 HydrophobicContact CB-CD1 3.65Å; K94-Y131 HydrophobicContact CB-CD2 4.12Å; K94-Y131 HydrophobicContact CB-CE1 4.11Å; K94-Y131 HydrophobicContact CB-CG 3.66Å; K94-Y131 HydrophobicContact CD-CD2 3.99Å; K94-Y131 HydrophobicContact CD-CG 3.99Å; K94-Y131 HydrophobicContact CG-CD1 4.45Å; K94-Y131 HydrophobicContact CG-CD2 4.47Å; K94-Y131 HydrophobicContact CG-CG 4.04Å; K94-Y131 WeakPolarHBondContact O-CD1 3.49Å; K94-Y131 WeakPolarHBondContact O-CE1 3.43Å |
| 95 | V | 96.6 | Very high | 97 | Very high | 49 Ų | 49 | 47 Ų | 47 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -78.7 | -40.6 | -175.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | A92 P93 N99 Q100 | A92-V95 HydrophobicContact CB-CB 4.49Å; A92-V95 HydrophobicContact CB-CG2 4.35Å; A92-V95 PolarHBondContact O-N 3.24Å; P93-V95 PolarHBondContact O-N 3.38Å; V95-N99 PolarHBondContact O-N 3.13Å; V95-N99 VanDerWaalsContact O-N 3.09Å; V95-Q100 PolarHBondContact O-N 3.19Å |
| 96 | M | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -61.4 | -48.2 | 178.5 | -60.8 | -48.7 | -78.9 | 0 | 0 | 111 | V41 E89 A92 P93 Q100 I101 | V41-M96 HydrophobicContact CG1-CB 3.98Å; V41-M96 HydrophobicContact CG1-CG 3.71Å; V41-M96 HydrophobicContact CG2-CB 3.73Å; V41-M96 HydrophobicContact CG2-CG 4.37Å; E89-M96 HydrophobicContact CB-CE 3.58Å; E89-M96 HydrophobicContact CG-CE 3.79Å; A92-M96 WeakPolarHBondContact O-CG 3.38Å; A92-M96 PolarHBondContact O-N 3.36Å; P93-M96 PolarHBondContact O-N 3.47Å; M96-Q100 HydrophobicContact CE-CB 4.41Å; M96-Q100 VanDerWaalsContact CE-OE1 3.23Å; M96-Q100 PolarHBondContact O-N 3.38Å; M96-Q100 HydrophobicContact SD-CB 4.35Å; M96-Q100 HydrophobicContact SD-CG 4.39Å; M96-Q100 PolarHBondContact SD-OE1 3.46Å; M96-I101 HydrophobicContact CB-CD1 4.08Å; M96-I101 HydrophobicContact CB-CG1 4.37Å; M96-I101 WeakPolarHBondContact O-CB 3.46Å; M96-I101 WeakPolarHBondContact O-CG1 3.22Å; M96-I101 PolarHBondContact O-N 3.04Å |
| 97 | I | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -75.3 | -37.1 | -175.8 | -64.1 | 166.2 | 0 | 0 | 0 | 111.5 | M9 A11 V41 P93 P102 I110 L112 V128 V132 | M9-I97 HydrophobicContact CE-CG2 3.96Å; M9-I97 WeakPolarHBondContact CE-O 3.48Å; A11-I97 HydrophobicContact CB-CD1 3.69Å; A11-I97 HydrophobicContact CB-CG1 3.97Å; A11-I97 HydrophobicContact CB-CG2 4.05Å; V41-I97 HydrophobicContact CG2-CD1 4.26Å; V41-I97 HydrophobicContact CG2-CG1 3.88Å; P93-I97 HydrophobicContact CB-CD1 4.23Å; P93-I97 VanDerWaalsContact O-CB 3.24Å; P93-I97 WeakPolarHBondContact O-CB 3.24Å; P93-I97 WeakPolarHBondContact O-CD1 3.46Å; P93-I97 WeakPolarHBondContact O-CG1 3.45Å; P93-I97 PolarHBondContact O-N 3.04Å; I97-P102 WeakPolarHBondContact O-CD 3.33Å; I97-P102 WeakPolarHBondContact O-CG 3.29Å; I97-I110 HydrophobicContact CG2-CG2 4.27Å; I97-L112 HydrophobicContact CG2-CD1 4.18Å; I97-L112 HydrophobicContact CG2-CD2 3.88Å; I97-V128 HydrophobicContact CD1-CG1 3.75Å; I97-V132 HydrophobicContact CB-CG2 4.04Å; I97-V132 HydrophobicContact CG2-CG1 4.47Å; I97-V132 HydrophobicContact CG2-CG2 3.61Å |
| 98 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -73.6 | -38.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K94 Y131 V132 N135 A136 | K94-A98 WeakPolarHBondContact O-CB 3.4Å; K94-A98 PolarHBondContact O-N 2.89Å; K94-A98 VanDerWaalsContact O-N 3.14Å; A98-Y131 HydrophobicContact CB-CD1 3.86Å; A98-Y131 HydrophobicContact CB-CE1 3.81Å; A98-V132 HydrophobicContact CB-CB 4.44Å; A98-V132 HydrophobicContact CB-CG2 4.05Å; A98-N135 HydrophobicContact CB-CB 4.16Å; A98-A136 WeakPolarHBondContact O-CA 3.28Å |
| 99 | N | 97.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -126.7 | -62.7 | -164.2 | -53.5 | -37.1 | 0 | 0 | 0 | 112.3 | V95 P102 E103 N135 | V95-N99 PolarHBondContact O-N 3.13Å; V95-N99 VanDerWaalsContact O-N 3.09Å; N99-P102 WeakPolarHBondContact O-CD 3.05Å; N99-E103 WeakPolarHBondContact O-CB 3.24Å; N99-E103 PolarHBondContact O-N 2.93Å; N99-N135 PolarHBondContact OD1-O 3.42Å; N99-N135 VanDerWaalsContact OD1-O 3.07Å |
| 100 | Q | 97.9 | Very high | 97.2 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 40% | 0.397 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -69.2 | -47.7 | -164 | -62.2 | -170.5 | -3.1 | 0 | 0 | 113.4 | V95 M96 N104 | V95-Q100 PolarHBondContact O-N 3.19Å; M96-Q100 HydrophobicContact CE-CB 4.41Å; M96-Q100 VanDerWaalsContact CE-OE1 3.23Å; M96-Q100 PolarHBondContact O-N 3.38Å; M96-Q100 HydrophobicContact SD-CB 4.35Å; M96-Q100 HydrophobicContact SD-CG 4.39Å; M96-Q100 PolarHBondContact SD-OE1 3.46Å; Q100-N104 VanDerWaalsContact O-CB 3.3Å; Q100-N104 WeakPolarHBondContact O-CB 3.15Å; Q100-N104 PolarHBondContact O-N 2.66Å; Q100-N104 PolarHBondContact O-ND2 2.95Å |
| 101 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 178.3 | -59.2 | 170 | 0 | 0 | 0 | 110.1 | M9 L37 A39 V41 V87 E89 M96 E103 N104 N105 | M9-I101 HydrophobicContact SD-CB 4.01Å; M9-I101 HydrophobicContact SD-CG2 3.38Å; M9-I101 WeakPolarHBondContact SD-CG2 2.89Å; L37-I101 HydrophobicContact CD2-CG2 3.85Å; A39-I101 HydrophobicContact CB-CD1 4.35Å; A39-I101 HydrophobicContact CB-CG2 4.49Å; V41-I101 HydrophobicContact CG2-CD1 3.74Å; V87-I101 HydrophobicContact CG1-CD1 4.41Å; V87-I101 HydrophobicContact CG1-CG2 3.83Å; E89-I101 HydrophobicContact CB-CD1 4.13Å; E89-I101 HydrophobicContact CG-CD1 3.84Å; E89-I101 HydrophobicContact CG-CG1 3.79Å; M96-I101 HydrophobicContact CB-CD1 4.08Å; M96-I101 HydrophobicContact CB-CG1 4.37Å; M96-I101 WeakPolarHBondContact O-CB 3.46Å; M96-I101 WeakPolarHBondContact O-CG1 3.22Å; M96-I101 PolarHBondContact O-N 3.04Å; I101-E103 PolarHBondContact O-N 2.91Å; I101-N104 PolarHBondContact O-N 3.46Å; I101-N105 WeakPolarHBondContact O-CB 3.24Å; I101-N105 PolarHBondContact O-N 2.9Å; I101-N105 VanDerWaalsContact O-N 3.13Å; I101-N105 PolarHBondContact O-ND2 3.06Å |
| 102 | P | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.4 | -49.9 | 173.7 | -30.8 | 37.2 | 0 | 0 | 0 | 114.8 | M9 I97 N99 N105 Q106 I107 I110 | M9-P102 HydrophobicContact CE-CG 3.86Å; I97-P102 WeakPolarHBondContact O-CD 3.33Å; I97-P102 WeakPolarHBondContact O-CG 3.29Å; N99-P102 WeakPolarHBondContact O-CD 3.05Å; P102-N105 PolarHBondContact O-N 2.98Å; P102-Q106 PolarHBondContact O-N 2.95Å; P102-I107 HydrophobicContact CB-CB 4.05Å; P102-I107 HydrophobicContact CB-CG1 4.38Å; P102-I107 PolarHBondContact O-N 2.59Å; P102-I107 VanDerWaalsContact O-N 3.08Å; P102-I110 HydrophobicContact CB-CD1 4.32Å; P102-I110 HydrophobicContact CG-CD1 3.53Å; P102-I110 HydrophobicContact CG-CG1 4.25Å |
| 103 | E | 97.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 39.5 Ų | 39.5 | 70% | 0.696 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61.3 | -49 | -178.7 | -175.8 | -179 | 178.2 | 0 | 0 | 111.4 | N99 I101 N105 | N99-E103 WeakPolarHBondContact O-CB 3.24Å; N99-E103 PolarHBondContact O-N 2.93Å; I101-E103 PolarHBondContact O-N 2.91Å; E103-N105 PolarHBondContact O-N 3.25Å |
| 104 | N | 98.1 | Very high | 97.4 | Very high | 116 Ų | 116 | 38.7 Ų | 38.7 | 62% | 0.62 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.6 | -24.4 | -177.9 | -70.6 | -20.1 | 0 | 0 | 0 | 113.4 | Q100 I101 | Q100-N104 VanDerWaalsContact O-CB 3.3Å; Q100-N104 WeakPolarHBondContact O-CB 3.15Å; Q100-N104 PolarHBondContact O-N 2.66Å; Q100-N104 PolarHBondContact O-ND2 2.95Å; I101-N104 PolarHBondContact O-N 3.46Å |
| 105 | N | 98.2 | Very high | 96.8 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -112.6 | -0.5 | -172.9 | -68.4 | -83 | 0 | 0 | 0 | 114 | K7 L37 I101 P102 E103 I107 | K7-N105 WeakPolarHBondContact CD-O 3.27Å; K7-N105 WeakPolarHBondContact CE-O 3.42Å; K7-N105 PolarHBondContact NZ-O 3.34Å; L37-N105 HydrophobicContact CD2-CB 3.9Å; I101-N105 WeakPolarHBondContact O-CB 3.24Å; I101-N105 PolarHBondContact O-N 2.9Å; I101-N105 VanDerWaalsContact O-N 3.13Å; I101-N105 PolarHBondContact O-ND2 3.06Å; P102-N105 PolarHBondContact O-N 2.98Å; E103-N105 PolarHBondContact O-N 3.25Å; N105-I107 HydrophobicContact CB-CD1 3.75Å; N105-I107 HydrophobicContact CB-CG1 3.93Å |
| 106 | Q | 97.6 | Very high | 95.7 | Very high | 161 Ų | 161 | 35 Ų | 35 | 75% | 0.752 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 46.1 | -177.7 | -57.7 | 164.8 | -8.5 | 0 | 0 | 111.8 | P102 | P102-Q106 PolarHBondContact O-N 2.95Š|
| 107 | I | 98.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | trans | -74.4 | 129.5 | 179.3 | -56.5 | -52.4 | 0 | 0 | 0 | 109.8 | K7 M9 L37 P102 N105 L109 I110 C138 | K7-I107 HydrophobicContact CB-CD1 4.47Å; K7-I107 HydrophobicContact CD-CD1 4.02Å; K7-I107 HydrophobicContact CG-CD1 3.64Å; M9-I107 HydrophobicContact CB-CB 4.41Å; M9-I107 HydrophobicContact CB-CD1 3.98Å; M9-I107 HydrophobicContact CB-CG1 3.95Å; M9-I107 HydrophobicContact CB-CG2 3.58Å; M9-I107 HydrophobicContact SD-CG1 4.43Å; L37-I107 HydrophobicContact CB-CD1 4.19Å; L37-I107 HydrophobicContact CD2-CD1 3.74Å; L37-I107 HydrophobicContact CD2-CG1 4.33Å; P102-I107 HydrophobicContact CB-CB 4.05Å; P102-I107 HydrophobicContact CB-CG1 4.38Å; P102-I107 PolarHBondContact O-N 2.59Å; P102-I107 VanDerWaalsContact O-N 3.08Å; N105-I107 HydrophobicContact CB-CD1 3.75Å; N105-I107 HydrophobicContact CB-CG1 3.93Å; I107-L109 WeakPolarHBondContact CG2-O 3.3Å; I107-I110 HydrophobicContact CG2-CG1 4.03Å; I107-C138 WeakPolarHBondContact O-CB 3.32Å; I107-C138 PolarHBondContact O-SG 3.45Å | ||
| 108 | D | 98.2 | Very high | 92.8 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -107.1 | -11.2 | 176.3 | 58.2 | 14.1 | 0 | 0 | 0 | 114 | Y5 S6 K7 | Y5-D108 HydrophobicContact CD1-CB 4.45Å; S6-D108 WeakPolarHBondContact CA-OD2 3.45Å; S6-D108 WeakPolarHBondContact CB-OD2 3.21Å; S6-D108 PolarHBondContact N-OD1 3.49Å; S6-D108 PolarHBondContact N-OD2 2.84Å; S6-D108 PolarHBondContact OG-OD2 3.17Å; K7-D108 VanDerWaalsContact C-OD1 3.32Å; K7-D108 PolarHBondContact N-OD1 3.24Å; K7-D108 PolarHBondContact N-OD2 3.44Å; K7-D108 PolarHBondContact O-N 2.85Å |
| 109 | L | 98.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128.1 | 168.7 | 177.3 | 64.8 | 0 | 0 | 0 | 111.7 | Y5 I8 M9 V28 I107 M111 D139 L141 | Y5-L109 HydrophobicContact CD1-CB 3.61Å; Y5-L109 HydrophobicContact CD1-CG 4.5Å; Y5-L109 HydrophobicContact CD2-CB 4.34Å; Y5-L109 HydrophobicContact CD2-CD2 3.78Å; Y5-L109 HydrophobicContact CE1-CB 3.89Å; Y5-L109 HydrophobicContact CE1-CD1 4.24Å; Y5-L109 HydrophobicContact CE1-CG 4.47Å; Y5-L109 HydrophobicContact CE2-CD1 4.4Å; Y5-L109 HydrophobicContact CE2-CD2 3.9Å; Y5-L109 HydrophobicContact CG-CB 3.83Å; Y5-L109 HydrophobicContact CG-CD2 4.09Å; I8-L109 CarbonylContact C-O 3.55Å; I8-L109 WeakPolarHBondContact CA-O 3.35Å; I8-L109 HydrophobicContact CD1-CD2 4.44Å; I8-L109 HydrophobicContact CG1-CB 4.19Å; I8-L109 HydrophobicContact CG1-CD2 4.14Å; I8-L109 HydrophobicContact CG2-CB 4.38Å; I8-L109 HydrophobicContact CG2-CD2 4Å; I8-L109 HydrophobicContact CG2-CG 4.24Å; M9-L109 PolarHBondContact N-O 3.36Å; V28-L109 HydrophobicContact CG1-CD2 4.03Å; I107-L109 WeakPolarHBondContact CG2-O 3.3Å; L109-M111 HydrophobicContact CD2-CG 3.98Å; L109-M111 HydrophobicContact CD2-SD 4.02Å; L109-M111 HydrophobicContact CG-CG 4Å; L109-D139 WeakPolarHBondContact CA-O 3.39Å; L109-D139 HydrophobicContact CD1-CB 4.1Å; L109-L141 HydrophobicContact CD1-CB 4.12Å |
| 110 | I | 98.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126 | 169.9 | -51.2 | 177.9 | 0 | 0 | 0 | 109.6 | M9 I97 P102 I107 L112 V132 A136 D139 V140 L141 | M9-I110 HydrophobicContact CE-CB 4.33Å; M9-I110 HydrophobicContact CE-CD1 4.09Å; M9-I110 HydrophobicContact CE-CG1 3.93Å; M9-I110 HydrophobicContact CE-CG2 3.64Å; M9-I110 CarbonylContact O-C 3.57Å; I97-I110 HydrophobicContact CG2-CG2 4.27Å; P102-I110 HydrophobicContact CB-CD1 4.32Å; P102-I110 HydrophobicContact CG-CD1 3.53Å; P102-I110 HydrophobicContact CG-CG1 4.25Å; I107-I110 HydrophobicContact CG2-CG1 4.03Å; I110-L112 HydrophobicContact CG2-CD1 4.13Å; I110-L112 HydrophobicContact CG2-CD2 4.3Å; I110-L112 HydrophobicContact CG2-CG 3.95Å; I110-V132 HydrophobicContact CD1-CG1 4.04Å; I110-V132 HydrophobicContact CG2-CG1 4.16Å; I110-A136 HydrophobicContact CD1-CB 3.76Å; I110-D139 PolarHBondContact N-O 3.45Å; I110-V140 HydrophobicContact CB-CG2 4.42Å; I110-V140 CarbonylContact O-C 3.58Å; I110-V140 WeakPolarHBondContact O-CA 3.47Å; I110-L141 PolarHBondContact O-N 2.91Å |
| 111 | M | 98.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.4 | 174 | -62.2 | -165.9 | 53.9 | 0 | 0 | 110.6 | I8 M9 V10 A11 K24 A25 V28 L109 L141 V143 | I8-M111 HydrophobicContact CG2-CG 4.02Å; I8-M111 HydrophobicContact CG2-SD 3.97Å; M9-M111 PolarHBondContact O-N 2.68Å; V10-M111 WeakPolarHBondContact CA-O 3.3Å; V10-M111 HydrophobicContact CB-CB 4.36Å; V10-M111 HydrophobicContact CG2-CB 4.38Å; A11-M111 PolarHBondContact N-O 2.84Å; K24-M111 HydrophobicContact CB-CE 3.77Å; A25-M111 VanDerWaalsContact CA-SD 3.53Å; A25-M111 HydrophobicContact CB-CB 4.33Å; A25-M111 HydrophobicContact CB-CE 4.09Å; A25-M111 HydrophobicContact CB-CG 4.49Å; A25-M111 HydrophobicContact CB-SD 3.68Å; V28-M111 HydrophobicContact CB-SD 4.14Å; V28-M111 HydrophobicContact CG1-SD 4.5Å; V28-M111 HydrophobicContact CG2-CE 4.21Å; V28-M111 HydrophobicContact CG2-SD 3.98Å; L109-M111 HydrophobicContact CD2-CG 3.98Å; L109-M111 HydrophobicContact CD2-SD 4.02Å; L109-M111 HydrophobicContact CG-CG 4Å; M111-L141 WeakPolarHBondContact CA-O 3.36Å; M111-L141 HydrophobicContact CE-CD2 3.63Å; M111-L141 HydrophobicContact CE-CG 4.3Å; M111-L141 HydrophobicContact CG-CB 4.22Å; M111-L141 HydrophobicContact SD-CD2 4.2Å; M111-V143 HydrophobicContact CE-CG2 3.87Å |
| 112 | L | 97.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151 | -177.5 | -62.2 | 170 | 0 | 0 | 0 | 111.5 | A11 A21 I97 I110 V132 L141 I142 V143 | A11-L112 HydrophobicContact CB-CD2 3.36Å; A21-L112 VanDerWaalsContact CB-C 3.47Å; I97-L112 HydrophobicContact CG2-CD1 4.18Å; I97-L112 HydrophobicContact CG2-CD2 3.88Å; I110-L112 HydrophobicContact CG2-CD1 4.13Å; I110-L112 HydrophobicContact CG2-CD2 4.3Å; I110-L112 HydrophobicContact CG2-CG 3.95Å; L112-V132 HydrophobicContact CD1-CB 3.68Å; L112-V132 HydrophobicContact CD1-CG1 3.67Å; L112-V132 HydrophobicContact CD1-CG2 3.78Å; L112-L141 PolarHBondContact N-O 3.46Å; L112-I142 HydrophobicContact CB-CD1 4.09Å; L112-I142 HydrophobicContact CD1-CD1 4.46Å; L112-V143 PolarHBondContact O-N 2.9Å |
| 113 | G | 94.2 | Very high | 84.8 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 145.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E17 T115 S129 | E17-G113 WeakPolarHBondContact O-CA 3.4Å; G113-T115 CarbonylContact C-O 3.58Å; G113-T115 PolarHBondContact O-N 2.99Å; G113-S129 PolarHBondContact O-OG 3.39Å |
| 114 | A | 90.5 | Very high | 83.7 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -67 | -31.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I125 G126 I142 V143 R144 | A114-I125 CarbonylContact O-C 3.58Å; A114-I125 WeakPolarHBondContact O-CA 3.35Å; A114-G126 PolarHBondContact O-N 3.45Å; A114-I142 VanDerWaalsContact CA-CG2 3.44Å; A114-I142 HydrophobicContact CB-CG2 3.51Å; A114-V143 WeakPolarHBondContact CB-O 3.42Å; A114-V143 PolarHBondContact N-O 2.97Å; A114-R144 HydrophobicContact CB-CB 4.44Å; A114-R144 HydrophobicContact CB-CG 3.33Å |
| 115 | T | 83.1 | Confident | 83 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -125.8 | 171.6 | 174.9 | 40.3 | 0 | 0 | 0 | 0 | 108.7 | E17 G113 A119 F124 | E17-T115 VanDerWaalsContact CB-O 3.31Å; E17-T115 WeakPolarHBondContact CB-O 3.44Å; E17-T115 VanDerWaalsContact CD-OG1 3.22Å; E17-T115 VanDerWaalsContact CG-OG1 3.23Å; E17-T115 WeakPolarHBondContact CG-OG1 3.28Å; E17-T115 PolarHBondContact OE1-OG1 2.99Å; G113-T115 CarbonylContact C-O 3.58Å; G113-T115 PolarHBondContact O-N 2.99Å; T115-A119 HydrophobicContact CG2-CB 3.4Å; T115-A119 VanDerWaalsContact CG2-CB 3.4Å; T115-F124 VanDerWaalsContact CG2-O 3.24Å; T115-F124 WeakPolarHBondContact CG2-O 3.37Å |
| 116 | G | 73.7 | Confident | 82.5 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | trans | -145.5 | -162.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N118 A119 | G116-N118 PolarHBondContact O-N 2.97Å; G116-A119 PolarHBondContact O-N 3.32Å; G116-A119 VanDerWaalsContact O-N 3.1Å | ||
| 117 | L | 69 | Low | 82.1 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -22.4 | -168.9 | -67 | 171.7 | 0 | 0 | 0 | 117.4 | D13 | D13-L117 PolarHBondContact OD2-N 2.88Š|
| 118 | N | 66.8 | Low | 81.9 | Confident | 158 Ų | 158 | 60.3 Ų | 60.3 | 85% | 0.845 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 9.6 | -174.6 | -64.6 | -52.4 | 0 | 0 | 0 | 114.5 | G116 | G116-N118 PolarHBondContact O-N 2.97Š|
| 119 | A | 61.4 | Low | 81.8 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | trans | -83.6 | 121.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T115 G116 | T115-A119 HydrophobicContact CG2-CB 3.4Å; T115-A119 VanDerWaalsContact CG2-CB 3.4Å; G116-A119 PolarHBondContact O-N 3.32Å; G116-A119 VanDerWaalsContact O-N 3.1Å | ||
| 120 | V | 62.8 | Low | 81.5 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 85% | 0.848 | 34% | 0.338 | S | S | * | . | trans | -97 | -20.2 | -180 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 121 | E | 64.6 | Low | 81.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | trans | -133.7 | 132.2 | -177 | -56.2 | -178.3 | -178.2 | 0 | 0 | 112 | L123 F124 | E121-L123 PolarHBondContact O-N 3.03Å; E121-F124 HydrophobicContact CB-CD2 3.97Å; E121-F124 HydrophobicContact CB-CE2 4.41Å; E121-F124 PolarHBondContact O-N 3.13Å; E121-F124 VanDerWaalsContact O-N 3.16Å; E121-F124 WeakPolarHBondContact OE2-CE2 3.37Å | ||
| 122 | R | 64.9 | Low | 81.4 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 50% | 0.502 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.3 | 177.5 | -63.9 | -179 | -178.4 | -160.4 | -8.4 | 114.1 | F124 P152 E154 | R122-F124 VanDerWaalsContact C-N 3.34Å; R122-P152 PolarHBondContact NH1-O 2.82Å; R122-P152 PolarHBondContact NH2-O 3.38Å; R122-E154 IonicContact CZ-OE1 3.31Å; R122-E154 VanDerWaalsContact CZ-OE1 3.31Å; R122-E154 IonicContact NE-OE1 3.04Å; R122-E154 PolarHBondContact NE-OE1 3.09Å; R122-E154 VanDerWaalsContact NH2-CD 3.33Å; R122-E154 VanDerWaalsContact NH2-CG 3.34Å; R122-E154 IonicContact NH2-OE1 2.76Å; R122-E154 PolarHBondContact NH2-OE1 3.11Å |
| 123 | L | 67 | Low | 81.4 | Confident | 156 Ų | 156 | 69.4 Ų | 69.4 | 82% | 0.817 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.7 | 178.1 | -67.8 | 174.4 | 0 | 0 | 0 | 113.2 | E121 | E121-L123 PolarHBondContact O-N 3.03Š|
| 124 | F | 76 | Confident | 81.6 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -100.3 | 143.1 | -179.1 | -68.5 | -65.1 | 0 | 0 | 0 | 112.5 | T115 E121 R122 | T115-F124 VanDerWaalsContact CG2-O 3.24Å; T115-F124 WeakPolarHBondContact CG2-O 3.37Å; E121-F124 HydrophobicContact CB-CD2 3.97Å; E121-F124 HydrophobicContact CB-CE2 4.41Å; E121-F124 PolarHBondContact O-N 3.13Å; E121-F124 VanDerWaalsContact O-N 3.16Å; E121-F124 WeakPolarHBondContact OE2-CE2 3.37Å; R122-F124 VanDerWaalsContact C-N 3.34Å |
| 125 | I | 82.1 | Confident | 82 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -83 | 133.1 | 162.3 | -67.8 | 176.1 | 0 | 0 | 0 | 107.1 | A114 E130 I133 | A114-I125 CarbonylContact O-C 3.58Å; A114-I125 WeakPolarHBondContact O-CA 3.35Å; I125-E130 HydrophobicContact CG2-CB 4.14Å; I125-I133 HydrophobicContact CD1-CD1 4.16Å; I125-I133 HydrophobicContact CG2-CD1 4.29Å |
| 126 | G | 87.9 | Confident | 82.7 | Confident | 16 Ų | 16 | 80.7 Ų | 80.7 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 143.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | A114 V128 S129 E130 | A114-G126 PolarHBondContact O-N 3.45Å; G126-V128 PolarHBondContact O-N 3.1Å; G126-S129 PolarHBondContact O-N 2.86Å; G126-E130 PolarHBondContact O-N 3.33Å |
| 127 | S | 90.6 | Very high | 83.8 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -21.7 | -170.4 | 84.2 | 0 | 0 | 0 | 0 | 114.2 | K94 Y131 | K94-S127 WeakPolarHBondContact CE-O 3.25Å; K94-S127 WeakPolarHBondContact CE-OG 3.5Å; K94-S127 VanDerWaalsContact NZ-CB 3.26Å; K94-S127 PolarHBondContact NZ-O 3.11Å; K94-S127 PolarHBondContact NZ-OG 3.01Å; K94-S127 VanDerWaalsContact NZ-OG 3.15Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.45Å |
| 128 | V | 94.2 | Very high | 85.2 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.4 | -56 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | P93 K94 I97 G126 E130 Y131 V132 | P93-V128 HydrophobicContact CB-CG2 4.18Å; K94-V128 HydrophobicContact CG-CG2 4.17Å; I97-V128 HydrophobicContact CD1-CG1 3.75Å; G126-V128 PolarHBondContact O-N 3.1Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 2.92Å; V128-Y131 WeakPolarHBondContact O-CB 3.37Å; V128-Y131 PolarHBondContact O-N 2.95Å; V128-V132 HydrophobicContact CG1-CG2 4.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 3.38Å |
| 129 | S | 94.7 | Very high | 86.7 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57 | -41.9 | 178.7 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | G113 G126 Y131 V132 I133 | G113-S129 PolarHBondContact O-OG 3.39Å; G126-S129 PolarHBondContact O-N 2.86Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 2.97Å; S129-V132 PolarHBondContact O-N 3.41Å; S129-I133 VanDerWaalsContact O-CD1 3.32Å; S129-I133 WeakPolarHBondContact O-CD1 3.27Å; S129-I133 WeakPolarHBondContact O-CG1 3.4Å; S129-I133 PolarHBondContact O-N 2.9Å |
| 130 | E | 94.2 | Very high | 88.4 | Confident | 85 Ų | 85 | 80.4 Ų | 80.4 | 40% | 0.397 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.3 | -168.9 | -170.6 | 174.9 | 0 | 0 | 111.9 | I125 G126 V128 R134 | I125-E130 HydrophobicContact CG2-CB 4.14Å; G126-E130 PolarHBondContact O-N 3.33Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 2.92Å; E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.26Å; E130-R134 IonicContact OE1-CZ 3.53Å; E130-R134 IonicContact OE1-NE 3.27Å; E130-R134 PolarHBondContact OE1-NE 2.65Å; E130-R134 IonicContact OE1-NH2 2.88Å; E130-R134 PolarHBondContact OE1-NH2 2.89Å |
| 131 | Y | 97 | Very high | 90.1 | Very high | 71 Ų | 71 | 77.3 Ų | 77.3 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 178 | -173.4 | -82.3 | 0 | 0 | 0 | 111.2 | K94 A98 S127 V128 S129 R134 N135 | K94-Y131 HydrophobicContact CB-CD1 3.65Å; K94-Y131 HydrophobicContact CB-CD2 4.12Å; K94-Y131 HydrophobicContact CB-CE1 4.11Å; K94-Y131 HydrophobicContact CB-CG 3.66Å; K94-Y131 HydrophobicContact CD-CD2 3.99Å; K94-Y131 HydrophobicContact CD-CG 3.99Å; K94-Y131 HydrophobicContact CG-CD1 4.45Å; K94-Y131 HydrophobicContact CG-CD2 4.47Å; K94-Y131 HydrophobicContact CG-CG 4.04Å; K94-Y131 WeakPolarHBondContact O-CD1 3.49Å; K94-Y131 WeakPolarHBondContact O-CE1 3.43Å; A98-Y131 HydrophobicContact CB-CD1 3.86Å; A98-Y131 HydrophobicContact CB-CE1 3.81Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.45Å; V128-Y131 WeakPolarHBondContact O-CB 3.37Å; V128-Y131 PolarHBondContact O-N 2.95Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 2.97Å; Y131-R134 PolarHBondContact O-N 3.22Å; Y131-N135 HydrophobicContact CD1-CB 4.29Å; Y131-N135 HydrophobicContact CE1-CB 3.93Å; Y131-N135 WeakPolarHBondContact O-CB 3.47Å; Y131-N135 PolarHBondContact O-N 3.38Å; Y131-N135 VanDerWaalsContact O-N 3.15Å; Y131-N135 PolarHBondContact O-ND2 3.13Å |
| 132 | V | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | -178.7 | 176 | 0 | 0 | 0 | 0 | 111.2 | I97 A98 I110 L112 V128 S129 R134 N135 A136 V140 | I97-V132 HydrophobicContact CB-CG2 4.04Å; I97-V132 HydrophobicContact CG2-CG1 4.47Å; I97-V132 HydrophobicContact CG2-CG2 3.61Å; A98-V132 HydrophobicContact CB-CB 4.44Å; A98-V132 HydrophobicContact CB-CG2 4.05Å; I110-V132 HydrophobicContact CD1-CG1 4.04Å; I110-V132 HydrophobicContact CG2-CG1 4.16Å; L112-V132 HydrophobicContact CD1-CB 3.68Å; L112-V132 HydrophobicContact CD1-CG1 3.67Å; L112-V132 HydrophobicContact CD1-CG2 3.78Å; V128-V132 HydrophobicContact CG1-CG2 4.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 3.38Å; S129-V132 PolarHBondContact O-N 3.41Å; V132-R134 PolarHBondContact O-N 2.74Å; V132-R134 VanDerWaalsContact O-N 3.11Å; V132-N135 PolarHBondContact O-N 2.95Å; V132-N135 VanDerWaalsContact O-N 3.15Å; V132-A136 HydrophobicContact CG1-CB 4.07Å; V132-A136 VanDerWaalsContact O-CB 3.29Å; V132-A136 WeakPolarHBondContact O-CB 3.31Å; V132-A136 PolarHBondContact O-N 2.87Å; V132-V140 HydrophobicContact CG1-CG1 4.08Å; V132-V140 HydrophobicContact CG1-CG2 3.96Å |
| 133 | I | 96.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.1 | -35.5 | 176.5 | -65.7 | 159.1 | 0 | 0 | 0 | 112 | I125 S129 V140 I142 | I125-I133 HydrophobicContact CD1-CD1 4.16Å; I125-I133 HydrophobicContact CG2-CD1 4.29Å; S129-I133 VanDerWaalsContact O-CD1 3.32Å; S129-I133 WeakPolarHBondContact O-CD1 3.27Å; S129-I133 WeakPolarHBondContact O-CG1 3.4Å; S129-I133 PolarHBondContact O-N 2.9Å; I133-V140 HydrophobicContact CG1-CG1 4.2Å; I133-I142 HydrophobicContact CD1-CD1 3.93Å; I133-I142 HydrophobicContact CD1-CG1 3.66Å; I133-I142 HydrophobicContact CG1-CD1 3.89Å; I133-I142 HydrophobicContact CG1-CG1 3.87Å |
| 134 | R | 97.4 | Very high | 94.3 | Very high | 178 Ų | 178 | 65.9 Ų | 65.9 | 67% | 0.672 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -85.4 | -22.5 | -175.8 | -68.8 | 178.6 | -172.6 | -81.6 | 4 | 114.1 | E130 Y131 V132 | E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.26Å; E130-R134 IonicContact OE1-CZ 3.53Å; E130-R134 IonicContact OE1-NE 3.27Å; E130-R134 PolarHBondContact OE1-NE 2.65Å; E130-R134 IonicContact OE1-NH2 2.88Å; E130-R134 PolarHBondContact OE1-NH2 2.89Å; Y131-R134 PolarHBondContact O-N 3.22Å; V132-R134 PolarHBondContact O-N 2.74Å; V132-R134 VanDerWaalsContact O-N 3.11Å |
| 135 | N | 98.4 | Very high | 95.1 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -126.8 | -14.3 | -165.2 | -63.9 | -86.9 | 0 | 0 | 0 | 114.4 | A98 N99 Y131 V132 | A98-N135 HydrophobicContact CB-CB 4.16Å; N99-N135 PolarHBondContact OD1-O 3.42Å; N99-N135 VanDerWaalsContact OD1-O 3.07Å; Y131-N135 HydrophobicContact CD1-CB 4.29Å; Y131-N135 HydrophobicContact CE1-CB 3.93Å; Y131-N135 WeakPolarHBondContact O-CB 3.47Å; Y131-N135 PolarHBondContact O-N 3.38Å; Y131-N135 VanDerWaalsContact O-N 3.15Å; Y131-N135 PolarHBondContact O-ND2 3.13Å; V132-N135 PolarHBondContact O-N 2.95Å; V132-N135 VanDerWaalsContact O-N 3.15Å |
| 136 | A | 98.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | trans | -67.5 | 137.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A98 I110 V132 C138 V140 | A98-A136 WeakPolarHBondContact O-CA 3.28Å; I110-A136 HydrophobicContact CD1-CB 3.76Å; V132-A136 HydrophobicContact CG1-CB 4.07Å; V132-A136 VanDerWaalsContact O-CB 3.29Å; V132-A136 WeakPolarHBondContact O-CB 3.31Å; V132-A136 PolarHBondContact O-N 2.87Å; A136-C138 VanDerWaalsContact C-N 3.31Å; A136-V140 HydrophobicContact CB-CG2 3.64Å | ||
| 137 | D | 96.9 | Very high | 96.1 | Very high | 163 Ų | 163 | 63.4 Ų | 63.4 | 87% | 0.872 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -81.2 | -11.8 | 175.9 | -70 | -42 | 0 | 0 | 0 | 113 | ||
| 138 | C | 97.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -116 | 173.3 | 177.3 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | I107 A136 | I107-C138 WeakPolarHBondContact O-CB 3.32Å; I107-C138 PolarHBondContact O-SG 3.45Å; A136-C138 VanDerWaalsContact C-N 3.31Å |
| 139 | D | 98.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 69.5 Ų | 69.5 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 144.1 | -177.2 | -75.8 | -35.9 | 0 | 0 | 0 | 111.5 | Y5 L109 I110 | Y5-D139 HydrophobicContact CE1-CB 3.99Å; Y5-D139 PolarHBondContact OH-OD2 2.79Å; L109-D139 WeakPolarHBondContact CA-O 3.39Å; L109-D139 HydrophobicContact CD1-CB 4.1Å; I110-D139 PolarHBondContact N-O 3.45Å |
| 140 | V | 98.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 75.5 Ų | 75.5 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.3 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | I110 V132 I133 A136 I142 | I110-V140 HydrophobicContact CB-CG2 4.42Å; I110-V140 CarbonylContact O-C 3.58Å; I110-V140 WeakPolarHBondContact O-CA 3.47Å; V132-V140 HydrophobicContact CG1-CG1 4.08Å; V132-V140 HydrophobicContact CG1-CG2 3.96Å; I133-V140 HydrophobicContact CG1-CG1 4.2Å; A136-V140 HydrophobicContact CB-CG2 3.64Å; V140-I142 HydrophobicContact CG1-CD1 3.79Å; V140-I142 HydrophobicContact CG1-CG1 4.37Å |
| 141 | L | 98 | Very high | 96.1 | Very high | 75 Ų | 75 | 75.5 Ų | 75.5 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.3 | 173.1 | 177.6 | 59.5 | 0 | 0 | 0 | 110.8 | L109 I110 M111 L112 V143 | L109-L141 HydrophobicContact CD1-CB 4.12Å; I110-L141 PolarHBondContact O-N 2.91Å; M111-L141 WeakPolarHBondContact CA-O 3.36Å; M111-L141 HydrophobicContact CE-CD2 3.63Å; M111-L141 HydrophobicContact CE-CG 4.3Å; M111-L141 HydrophobicContact CG-CB 4.22Å; M111-L141 HydrophobicContact SD-CD2 4.2Å; L112-L141 PolarHBondContact N-O 3.46Å; L141-V143 HydrophobicContact CG-CG2 4.37Å |
| 142 | I | 96.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 74.5 Ų | 74.5 | 21% | 0.205 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.6 | 176.9 | -57.7 | -55.1 | 0 | 0 | 0 | 110.3 | L112 A114 I133 V140 | L112-I142 HydrophobicContact CB-CD1 4.09Å; L112-I142 HydrophobicContact CD1-CD1 4.46Å; A114-I142 VanDerWaalsContact CA-CG2 3.44Å; A114-I142 HydrophobicContact CB-CG2 3.51Å; I133-I142 HydrophobicContact CD1-CD1 3.93Å; I133-I142 HydrophobicContact CD1-CG1 3.66Å; I133-I142 HydrophobicContact CG1-CD1 3.89Å; I133-I142 HydrophobicContact CG1-CG1 3.87Å; V140-I142 HydrophobicContact CG1-CD1 3.79Å; V140-I142 HydrophobicContact CG1-CG1 4.37Å |
| 143 | V | 96 | Very high | 94.5 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.2 | -175.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | L20 A21 K24 M111 L112 A114 L141 T145 | L20-V143 HydrophobicContact CB-CG1 3.98Å; A21-V143 HydrophobicContact CB-CB 3.99Å; A21-V143 HydrophobicContact CB-CG2 4.14Å; K24-V143 HydrophobicContact CB-CG2 4.45Å; K24-V143 HydrophobicContact CD-CG1 3.75Å; K24-V143 HydrophobicContact CD-CG2 4.18Å; K24-V143 HydrophobicContact CG-CG1 4.31Å; M111-V143 HydrophobicContact CE-CG2 3.87Å; L112-V143 PolarHBondContact O-N 2.9Å; A114-V143 WeakPolarHBondContact CB-O 3.42Å; A114-V143 PolarHBondContact N-O 2.97Å; L141-V143 HydrophobicContact CG-CG2 4.37Å; V143-T145 WeakPolarHBondContact CG1-O 3.13Å |
| 144 | R | 92 | Very high | 93 | Very high | 110 Ų | 110 | 86 Ų | 86 | 42% | 0.415 | 43% | 0.433 | S | S | . | . | trans | -115.6 | -13.5 | 177.2 | -70 | 179.8 | -174.3 | -81 | 4.4 | 114.1 | A114 | A114-R144 HydrophobicContact CB-CB 4.44Å; A114-R144 HydrophobicContact CB-CG 3.33Å | ||
| 145 | T | 93.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 85.6 Ų | 85.6 | 15% | 0.147 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -129.7 | 159.6 | -163.7 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | K24 V143 N149 K150 V151 | K24-T145 VanDerWaalsContact CE-O 3.27Å; K24-T145 WeakPolarHBondContact CE-O 3.13Å; K24-T145 PolarHBondContact NZ-OG1 2.83Å; V143-T145 WeakPolarHBondContact CG1-O 3.13Å; T145-N149 WeakPolarHBondContact OG1-CA 3.35Å; T145-K150 CarbonylContact C-O 3.51Å; T145-K150 WeakPolarHBondContact CA-O 3.25Å; T145-K150 WeakPolarHBondContact CB-O 3.38Å; T145-V151 HydrophobicContact CG2-CG2 4.11Å |
| 146 | D | 95 | Very high | 88.4 | Confident | 44 Ų | 44 | 93.5 Ų | 93.5 | 24% | 0.235 | 49% | 0.486 | C | S | . | . | trans | -68 | -173.9 | 170.1 | 67.3 | 17.9 | 0 | 0 | 0 | 113.1 | L20 K24 D148 N149 K150 | L20-D146 HydrophobicContact CD2-CB 4.26Å; K24-D146 WeakPolarHBondContact CE-O 3.3Å; K24-D146 PolarHBondContact NZ-O 2.85Å; D146-D148 PolarHBondContact O-N 3.36Å; D146-D148 WeakPolarHBondContact OD1-CA 3.32Å; D146-D148 PolarHBondContact OD1-N 2.87Å; D146-N149 PolarHBondContact O-N 2.67Å; D146-N149 VanDerWaalsContact O-N 3.12Å; D146-N149 PolarHBondContact OD1-N 3.04Å; D146-K150 PolarHBondContact N-O 3.03Å; D146-K150 PolarHBondContact OD1-N 3.47Å | ||
| 147 | L | 96.2 | Very high | 87.9 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.1 | 179.2 | -67.7 | -177.9 | 0 | 0 | 0 | 113.7 | K23 K24 N27 N149 | K23-L147 HydrophobicContact CB-CD1 4.49Å; K23-L147 HydrophobicContact CB-CD2 4.02Å; K23-L147 HydrophobicContact CB-CG 4.28Å; K24-L147 HydrophobicContact CG-CD2 4.04Å; N27-L147 VanDerWaalsContact ND2-CD2 3.35Å; N27-L147 WeakPolarHBondContact ND2-CD2 3.45Å; L147-N149 VanDerWaalsContact C-N 3.28Å |
| 148 | D | 96.1 | Very high | 87.4 | Confident | 119 Ų | 119 | 93.7 Ų | 93.7 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.7 | 176.3 | -66.3 | -34.8 | 0 | 0 | 0 | 112.3 | D146 K150 | D146-D148 PolarHBondContact O-N 3.36Å; D146-D148 WeakPolarHBondContact OD1-CA 3.32Å; D146-D148 PolarHBondContact OD1-N 2.87Å; D148-K150 VanDerWaalsContact C-N 3.31Å; D148-K150 HydrophobicContact CB-CD 4.47Å; D148-K150 HydrophobicContact CB-CG 4.45Å; D148-K150 PolarHBondContact O-N 3.48Å |
| 149 | N | 96 | Very high | 86.8 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 61.6 | 34 | -175.9 | -57.8 | -53.7 | 0 | 0 | 0 | 114.1 | K24 T145 D146 L147 | K24-N149 PolarHBondContact NZ-OD1 3.43Å; T145-N149 WeakPolarHBondContact OG1-CA 3.35Å; D146-N149 PolarHBondContact O-N 2.67Å; D146-N149 VanDerWaalsContact O-N 3.12Å; D146-N149 PolarHBondContact OD1-N 3.04Å; L147-N149 VanDerWaalsContact C-N 3.28Å |
| 150 | K | 92.8 | Very high | 86.2 | Confident | 135 Ų | 135 | 97.5 Ų | 97.5 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | trans | -106 | 144.1 | 172.5 | -61.3 | 176.7 | -176.8 | 169.8 | 0 | 110.9 | T145 D146 D148 P152 | T145-K150 CarbonylContact C-O 3.51Å; T145-K150 WeakPolarHBondContact CA-O 3.25Å; T145-K150 WeakPolarHBondContact CB-O 3.38Å; D146-K150 PolarHBondContact N-O 3.03Å; D146-K150 PolarHBondContact OD1-N 3.47Å; D148-K150 VanDerWaalsContact C-N 3.31Å; D148-K150 HydrophobicContact CB-CD 4.47Å; D148-K150 HydrophobicContact CB-CG 4.45Å; D148-K150 PolarHBondContact O-N 3.48Å; K150-P152 WeakPolarHBondContact O-CD 3.21Å | ||
| 151 | V | 88.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 123.1 | 170 | -179.7 | 0 | 0 | 0 | 0 | 107 | T145 | T145-V151 HydrophobicContact CG2-CG2 4.11Š|
| 152 | P | 83.8 | Confident | 84.6 | Confident | 50 Ų | 50 | 102.5 Ų | 102.5 | 33% | 0.325 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 138.9 | 179.5 | -25.7 | 36 | 0 | 0 | 0 | 112.2 | L20 R122 K150 | L20-P152 HydrophobicContact CD1-CG 3.85Å; L20-P152 HydrophobicContact CD2-CG 4.01Å; R122-P152 PolarHBondContact NH1-O 2.82Å; R122-P152 PolarHBondContact NH2-O 3.38Å; K150-P152 WeakPolarHBondContact O-CD 3.21Å |
| 153 | E | 77.2 | Confident | 83.7 | Confident | 186 Ų | 186 | 107 Ų | 107 | 87% | 0.869 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 139.1 | 167.1 | -64.9 | -177.9 | 175.8 | 0 | 0 | 107.8 | ||
| 154 | E | 65.2 | Low | 82.7 | Confident | 136 Ų | 136 | 115 Ų | 115 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.5 | 173.3 | -95.4 | 156.2 | -127 | 0 | 0 | 108.2 | R122 D156 | R122-E154 IonicContact CZ-OE1 3.31Å; R122-E154 VanDerWaalsContact CZ-OE1 3.31Å; R122-E154 IonicContact NE-OE1 3.04Å; R122-E154 PolarHBondContact NE-OE1 3.09Å; R122-E154 VanDerWaalsContact NH2-CD 3.33Å; R122-E154 VanDerWaalsContact NH2-CG 3.34Å; R122-E154 IonicContact NH2-OE1 2.76Å; R122-E154 PolarHBondContact NH2-OE1 3.11Å; E154-D156 PolarHBondContact O-N 3.42Å; E154-D156 VanDerWaalsContact O-N 3.12Å |
| 155 | D | 57.8 | Low | 82 | Confident | 169 Ų | 169 | 115.4 Ų | 115.4 | 90% | 0.904 | 60% | 0.598 | S | S | * | * | trans | -68.7 | 102.3 | 161.3 | -71.5 | -39.7 | 0 | 0 | 0 | 106.3 | ||||
| 156 | D | 41.5 | Very low | 80.9 | Confident | 230 Ų | 230 | 123.7 Ų | 123.7 | 100% | 1.23 | 64% | 0.639 | S | S | * | * | trans | -58.1 | 0 | 170.1 | -78.8 | -34.4 | 0 | 0 | 0 | 112 | E154 | E154-D156 PolarHBondContact O-N 3.42Å; E154-D156 VanDerWaalsContact O-N 3.12Å |
Retrieved 156 of 156 residues in 418.2 ms
(Link to these results)