| 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 | 88.3 | Confident | 95.5 | Very high | 86 Ų | 86 | 28.7 Ų | 28.7 | 42% | 0.424 | 17% | 0.165 | S | C | . | . | 0 | 136.4 | 0 | -69.8 | 170.8 | 175.1 | 0 | 0 | 109.8 | E40 V63 Y64 P110 | M1-E40 HydrophobicContact CE-CB 4.4Å; M1-E40 HydrophobicContact CE-CG 3.79Å; M1-E40 VanDerWaalsContact CE-OE2 3.3Å; M1-E40 WeakPolarHBondContact CE-OE2 3.35Å; M1-E40 HydrophobicContact SD-CG 4.43Å; M1-V63 CarbonylContact C-O 3.56Å; M1-V63 WeakPolarHBondContact CA-O 3.11Å; M1-Y64 HydrophobicContact CE-CD1 4.05Å; M1-Y64 HydrophobicContact CE-CE1 4.24Å; M1-Y64 HydrophobicContact CG-CD1 4.01Å; M1-Y64 HydrophobicContact CG-CG 4.35Å; M1-P110 HydrophobicContact CB-CG 4.22Å | |||
| 2 | Q | 93.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 159.2 | 168.8 | -73.4 | -65.6 | 0.8 | 0 | 0 | 108.3 | T62 V63 R76 F80 I107 R108 T109 | Q2-T62 WeakPolarHBondContact O-CA 3.41Å; Q2-V63 PolarHBondContact N-O 2.72Å; Q2-V63 PolarHBondContact O-N 2.75Å; Q2-R76 HydrophobicContact CG-CB 4.4Å; Q2-R76 PolarHBondContact NE2-O 3.39Å; Q2-F80 HydrophobicContact CG-CB 4.33Å; Q2-I107 HydrophobicContact CB-CG2 4.07Å; Q2-R108 VanDerWaalsContact OE1-C 3.3Å; Q2-R108 PolarHBondContact OE1-O 3.19Å; Q2-R108 VanDerWaalsContact OE1-O 3.12Å; Q2-T109 PolarHBondContact OE1-OG1 3.46Å |
| 3 | V | 95.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.7 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | D60 L61 T62 I107 R108 P110 | V3-D60 HydrophobicContact CG1-CB 3.59Å; V3-D60 WeakPolarHBondContact CG1-OD1 3.33Å; V3-L61 WeakPolarHBondContact CA-O 3.3Å; V3-T62 HydrophobicContact CG2-CG2 4.28Å; V3-I107 CarbonylContact O-C 3.55Å; V3-I107 WeakPolarHBondContact O-CA 3.48Å; V3-R108 WeakPolarHBondContact CA-O 3.1Å; V3-R108 HydrophobicContact CB-CG 3.83Å; V3-R108 WeakPolarHBondContact CB-O 3.49Å; V3-R108 HydrophobicContact CG1-CG 4.25Å; V3-R108 PolarHBondContact N-O 3.05Å; V3-R108 PolarHBondContact O-N 3.05Å; V3-P110 HydrophobicContact CG2-CB 3.87Å |
| 4 | I | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.7 | 173.1 | -60.4 | 174.5 | 0 | 0 | 0 | 107.3 | L24 L61 V63 L83 I104 I107 | I4-L24 HydrophobicContact CD1-CD1 3.88Å; I4-L24 HydrophobicContact CD1-CD2 4.09Å; I4-L61 HydrophobicContact CB-CB 4.27Å; I4-L61 HydrophobicContact CD1-CD2 4.5Å; I4-L61 PolarHBondContact N-O 2.88Å; I4-L61 PolarHBondContact O-N 3.09Å; I4-V63 HydrophobicContact CD1-CG2 3.76Å; I4-V63 HydrophobicContact CG1-CG2 4.05Å; I4-L83 HydrophobicContact CD1-CD1 4.18Å; I4-I104 HydrophobicContact CG2-CB 4.32Å; I4-I104 HydrophobicContact CG2-CD1 3.77Å; I4-I104 HydrophobicContact CG2-CG1 3.77Å; I4-I104 HydrophobicContact CG2-CG2 3.6Å; I4-I107 HydrophobicContact CG1-CG1 4.49Å |
| 5 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117 | -177.4 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | R45 C59 D60 I104 L105 E106 R108 | V5-R45 HydrophobicContact CG1-CG 3.93Å; V5-R45 VanDerWaalsContact CG1-NE 3.29Å; V5-C59 CarbonylContact C-O 3.59Å; V5-C59 WeakPolarHBondContact CA-O 3.48Å; V5-D60 WeakPolarHBondContact CG2-OD1 3.41Å; V5-I104 CarbonylContact O-C 3.17Å; V5-I104 WeakPolarHBondContact O-CA 3.35Å; V5-I104 WeakPolarHBondContact O-CG2 3.46Å; V5-L105 PolarHBondContact O-N 2.76Å; V5-E106 HydrophobicContact CB-CG 3.61Å; V5-E106 WeakPolarHBondContact CB-O 3.38Å; V5-E106 HydrophobicContact CG1-CG 4.14Å; V5-E106 HydrophobicContact CG2-CG 3.6Å; V5-E106 PolarHBondContact N-O 3.01Å; V5-R108 HydrophobicContact CG2-CG 3.83Å |
| 6 | S | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.5 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | V8 K58 C59 Y98 R103 | S6-V8 PolarHBondContact O-N 3.05Å; S6-V8 VanDerWaalsContact O-N 3.17Å; S6-K58 CarbonylContact O-C 3.55Å; S6-K58 WeakPolarHBondContact O-CA 3.44Å; S6-K58 VanDerWaalsContact O-CB 3.31Å; S6-K58 WeakPolarHBondContact O-CB 3.29Å; S6-C59 PolarHBondContact N-O 2.88Å; S6-C59 PolarHBondContact O-N 2.89Å; S6-Y98 WeakPolarHBondContact CB-OH 3.39Å; S6-Y98 WeakPolarHBondContact OG-CE2 3.43Å; S6-Y98 PolarHBondContact OG-OH 3.25Å; S6-R103 WeakPolarHBondContact CA-O 3.29Å |
| 7 | N | 96.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 46.3 Ų | 46.3 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -81.7 | 20.1 | -179.9 | 74.7 | -17 | 0 | 0 | 0 | 114.8 | T57 G101 G102 R103 L105 | N7-T57 CarbonylContact C-O 3.52Å; N7-G101 PolarHBondContact ND2-O 3.31Å; N7-G102 VanDerWaalsContact OD1-CA 3.26Å; N7-G102 WeakPolarHBondContact OD1-CA 3.43Å; N7-R103 PolarHBondContact N-O 3.4Å; N7-R103 PolarHBondContact OD1-N 3.47Å; N7-R103 PolarHBondContact OD1-O 2.97Å; N7-L105 HydrophobicContact CB-CD1 3.99Å; N7-L105 HydrophobicContact CB-CD2 4.06Å; N7-L105 HydrophobicContact CB-CG 4.05Å |
| 8 | V | 96.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -116 | 152 | 179.5 | -71.3 | 0 | 0 | 0 | 0 | 110.2 | S6 L12 V13 T57 K58 C59 Y98 | S6-V8 PolarHBondContact O-N 3.05Å; S6-V8 VanDerWaalsContact O-N 3.17Å; V8-L12 HydrophobicContact CB-CD1 4.49Å; V8-L12 HydrophobicContact CB-CD2 4.32Å; V8-L12 HydrophobicContact CG2-CD2 4.25Å; V8-V13 HydrophobicContact CG2-CG2 3.66Å; V8-T57 CarbonylContact C-O 3.6Å; V8-K58 CarbonylContact O-C 3.4Å; V8-K58 VanDerWaalsContact O-CA 3.3Å; V8-K58 WeakPolarHBondContact O-CA 3.45Å; V8-C59 VanDerWaalsContact O-CB 3.28Å; V8-C59 WeakPolarHBondContact O-CB 3.34Å; V8-C59 PolarHBondContact O-N 2.76Å; V8-Y98 HydrophobicContact CG1-CD2 4.26Å; V8-Y98 HydrophobicContact CG1-CG 4.04Å; V8-Y98 HydrophobicContact CG2-CD1 3.89Å; V8-Y98 HydrophobicContact CG2-CD2 3.93Å; V8-Y98 HydrophobicContact CG2-CE1 3.79Å; V8-Y98 HydrophobicContact CG2-CE2 3.83Å; V8-Y98 HydrophobicContact CG2-CG 3.95Å |
| 9 | P | 96.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | trans | -66.5 | 149.7 | -179.7 | 27.6 | -36 | 0 | 0 | 0 | 112.1 | T11 L12 V13 Y56 | P9-T11 VanDerWaalsContact C-N 3.26Å; P9-T11 PolarHBondContact O-N 2.87Å; P9-L12 HydrophobicContact CG-CB 4.18Å; P9-L12 WeakPolarHBondContact O-CB 3.38Å; P9-L12 PolarHBondContact O-N 3.14Å; P9-V13 PolarHBondContact O-N 2.95Å; P9-Y56 WeakPolarHBondContact CB-O 3.5Å | ||
| 10 | P | 96.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -30.6 | -175.3 | 23.6 | -34.1 | 0 | 0 | 0 | 113.8 | L12 V13 E14 I42 C59 | P10-L12 PolarHBondContact O-N 3.3Å; P10-V13 PolarHBondContact O-N 2.59Å; P10-V13 VanDerWaalsContact O-N 3.15Å; P10-E14 WeakPolarHBondContact O-CB 3.36Å; P10-E14 PolarHBondContact O-N 2.9Å; P10-I42 HydrophobicContact CB-CG2 4.02Å; P10-C59 HydrophobicContact CB-CB 4.37Å |
| 11 | T | 96.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 60% | 0.595 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.5 | -24.5 | 177.1 | 52 | 0 | 0 | 0 | 0 | 113.7 | P9 K15 | P9-T11 VanDerWaalsContact C-N 3.26Å; P9-T11 PolarHBondContact O-N 2.87Å; T11-K15 VanDerWaalsContact O-CB 3.3Å; T11-K15 WeakPolarHBondContact O-CB 3.3Å; T11-K15 PolarHBondContact O-N 2.9Å |
| 12 | L | 95.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -76.5 | -44.6 | 172 | -177.6 | 158.1 | 0 | 0 | 0 | 110.2 | V8 P9 P10 K15 K16 Y98 | V8-L12 HydrophobicContact CB-CD1 4.49Å; V8-L12 HydrophobicContact CB-CD2 4.32Å; V8-L12 HydrophobicContact CG2-CD2 4.25Å; P9-L12 HydrophobicContact CG-CB 4.18Å; P9-L12 WeakPolarHBondContact O-CB 3.38Å; P9-L12 PolarHBondContact O-N 3.14Å; P10-L12 PolarHBondContact O-N 3.3Å; L12-K15 PolarHBondContact O-N 3.2Å; L12-K16 PolarHBondContact O-N 2.78Å; L12-Y98 HydrophobicContact CD2-CD1 3.75Å; L12-Y98 HydrophobicContact CD2-CE1 4.27Å |
| 13 | V | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 111 | V8 P9 P10 K16 I17 L20 I42 C59 L61 Y98 | V8-V13 HydrophobicContact CG2-CG2 3.66Å; P9-V13 PolarHBondContact O-N 2.95Å; P10-V13 PolarHBondContact O-N 2.59Å; P10-V13 VanDerWaalsContact O-N 3.15Å; V13-K16 CarbonylContact O-C 3.4Å; V13-K16 PolarHBondContact O-N 3.3Å; V13-K16 VanDerWaalsContact O-N 3.15Å; V13-I17 HydrophobicContact CG1-CD1 4.2Å; V13-I17 WeakPolarHBondContact O-CA 3.41Å; V13-I17 WeakPolarHBondContact O-CB 3.24Å; V13-I17 PolarHBondContact O-N 2.9Å; V13-L20 HydrophobicContact CG1-CD1 4.17Å; V13-I42 HydrophobicContact CB-CG2 4.23Å; V13-I42 HydrophobicContact CG1-CG2 4.17Å; V13-C59 HydrophobicContact CG2-CB 3.78Å; V13-L61 HydrophobicContact CG1-CD2 4.09Å; V13-Y98 HydrophobicContact CG2-CE1 4.03Å |
| 14 | E | 95.7 | Very high | 96.3 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 58% | 0.575 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -58.3 | -48 | 175.2 | -176.7 | 178.7 | -156.9 | 0 | 0 | 111.9 | P10 K16 I17 I42 | P10-E14 WeakPolarHBondContact O-CB 3.36Å; P10-E14 PolarHBondContact O-N 2.9Å; E14-K16 PolarHBondContact O-N 3.18Å; E14-K16 VanDerWaalsContact O-N 3.13Å; E14-I17 WeakPolarHBondContact O-CG2 3.3Å; E14-I17 PolarHBondContact O-N 2.84Å; E14-I42 HydrophobicContact CB-CD1 3.96Å; E14-I42 HydrophobicContact CG-CD1 4.33Å |
| 15 | K | 96.6 | Very high | 96.3 | Very high | 183 Ų | 183 | 51 Ų | 51 | 80% | 0.796 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.2 | -20.3 | 177.6 | -178.2 | 173 | 178.1 | -178.2 | 0 | 113.8 | T11 L12 | T11-K15 VanDerWaalsContact O-CB 3.3Å; T11-K15 WeakPolarHBondContact O-CB 3.3Å; T11-K15 PolarHBondContact O-N 2.9Å; L12-K15 PolarHBondContact O-N 3.2Å |
| 16 | K | 96.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 16.8 | -179 | -75.8 | -53.3 | -152 | 167.4 | 0 | 114 | L12 V13 E14 E18 D19 L20 Y97 | L12-K16 PolarHBondContact O-N 2.78Å; V13-K16 CarbonylContact O-C 3.4Å; V13-K16 PolarHBondContact O-N 3.3Å; V13-K16 VanDerWaalsContact O-N 3.15Å; E14-K16 PolarHBondContact O-N 3.18Å; E14-K16 VanDerWaalsContact O-N 3.13Å; K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 2.88Å; K16-D19 VanDerWaalsContact CD-OD2 3.24Å; K16-D19 WeakPolarHBondContact CD-OD2 3.48Å; K16-D19 WeakPolarHBondContact CE-OD2 3.31Å; K16-D19 IonicContact NZ-OD2 2.76Å; K16-D19 PolarHBondContact NZ-OD2 3.42Å; K16-D19 PolarHBondContact O-N 2.95Å; K16-L20 HydrophobicContact CB-CD1 3.97Å; K16-L20 HydrophobicContact CB-CG 4.31Å; K16-L20 WeakPolarHBondContact O-CB 3.46Å; K16-L20 WeakPolarHBondContact O-CD1 3.41Å; K16-L20 WeakPolarHBondContact O-CG 3.34Å; K16-L20 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-N 3.07Å; K16-Y97 HydrophobicContact CB-CD1 4.49Å; K16-Y97 HydrophobicContact CD-CD1 4.05Å; K16-Y97 HydrophobicContact CG-CD1 4.26Å |
| 17 | I | 96.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -32.9 | -168.8 | -164.3 | 61.6 | 0 | 0 | 0 | 113.5 | V13 E14 T21 V39 I42 L61 | V13-I17 HydrophobicContact CG1-CD1 4.2Å; V13-I17 WeakPolarHBondContact O-CA 3.41Å; V13-I17 WeakPolarHBondContact O-CB 3.24Å; V13-I17 PolarHBondContact O-N 2.9Å; E14-I17 WeakPolarHBondContact O-CG2 3.3Å; E14-I17 PolarHBondContact O-N 2.84Å; I17-T21 VanDerWaalsContact O-CB 3.25Å; I17-T21 WeakPolarHBondContact O-CB 3.32Å; I17-T21 PolarHBondContact O-N 3.11Å; I17-T21 PolarHBondContact O-OG1 3.35Å; I17-V39 HydrophobicContact CD1-CG1 4.29Å; I17-V39 HydrophobicContact CD1-CG2 3.77Å; I17-V39 HydrophobicContact CG1-CB 4.48Å; I17-V39 HydrophobicContact CG1-CG1 4.37Å; I17-V39 HydrophobicContact CG1-CG2 3.8Å; I17-I42 HydrophobicContact CB-CD1 4.21Å; I17-I42 HydrophobicContact CD1-CD1 3.81Å; I17-I42 HydrophobicContact CG1-CD1 3.87Å; I17-L61 HydrophobicContact CD1-CD1 3.75Å; I17-L61 HydrophobicContact CD1-CD2 4.26Å |
| 18 | E | 95.8 | Very high | 96 | Very high | 164 Ų | 164 | 54.5 Ų | 54.5 | 77% | 0.766 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.7 | -55.5 | 178.4 | -61.2 | -178.8 | 164.4 | 0 | 0 | 110.9 | K16 L20 T21 E22 | K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 2.88Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.14Å; E18-T21 PolarHBondContact O-N 2.7Å; E18-T21 VanDerWaalsContact O-N 3.17Å; E18-E22 PolarHBondContact O-N 3.03Å |
| 19 | D | 96.4 | Very high | 96 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 177.1 | -56.3 | -33.2 | 0 | 0 | 0 | 112 | K16 T21 E22 I23 Y97 | K16-D19 VanDerWaalsContact CD-OD2 3.24Å; K16-D19 WeakPolarHBondContact CD-OD2 3.48Å; K16-D19 WeakPolarHBondContact CE-OD2 3.31Å; K16-D19 IonicContact NZ-OD2 2.76Å; K16-D19 PolarHBondContact NZ-OD2 3.42Å; K16-D19 PolarHBondContact O-N 2.95Å; D19-T21 VanDerWaalsContact C-N 3.34Å; D19-E22 PolarHBondContact O-N 3.27Å; D19-I23 WeakPolarHBondContact O-CG1 3.23Å; D19-I23 PolarHBondContact O-N 2.76Å; D19-Y97 HydrophobicContact CB-CD1 3.88Å; D19-Y97 HydrophobicContact CB-CE1 3.38Å; D19-Y97 VanDerWaalsContact OD2-CE1 3.26Å; D19-Y97 WeakPolarHBondContact OD2-CE1 3.45Å |
| 20 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 179.7 | -66 | 167.1 | 0 | 0 | 0 | 111.9 | V13 K16 E18 L24 F94 Y97 Y98 | V13-L20 HydrophobicContact CG1-CD1 4.17Å; K16-L20 HydrophobicContact CB-CD1 3.97Å; K16-L20 HydrophobicContact CB-CG 4.31Å; K16-L20 WeakPolarHBondContact O-CB 3.46Å; K16-L20 WeakPolarHBondContact O-CD1 3.41Å; K16-L20 WeakPolarHBondContact O-CG 3.34Å; K16-L20 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-N 3.07Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.14Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.22Å; L20-L24 VanDerWaalsContact O-N 3.13Å; L20-F94 HydrophobicContact CB-CE1 4.45Å; L20-F94 HydrophobicContact CB-CZ 4.23Å; L20-F94 HydrophobicContact CD2-CD1 3.71Å; L20-F94 HydrophobicContact CD2-CD2 3.85Å; L20-F94 HydrophobicContact CD2-CE1 3.72Å; L20-F94 HydrophobicContact CD2-CE2 3.85Å; L20-F94 HydrophobicContact CD2-CG 3.77Å; L20-F94 HydrophobicContact CD2-CZ 3.78Å; L20-Y97 HydrophobicContact CD2-CD2 4.36Å; L20-Y97 HydrophobicContact CD2-CG 4.24Å; L20-Y98 HydrophobicContact CD1-CE1 3.72Å; L20-Y98 HydrophobicContact CD2-CD1 4.33Å; L20-Y98 HydrophobicContact CD2-CE1 3.88Å; L20-Y98 HydrophobicContact CG-CE1 4.49Å |
| 21 | T | 96.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.6 | -36.1 | 176.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | I17 E18 D19 I23 L24 D25 V37 | I17-T21 VanDerWaalsContact O-CB 3.25Å; I17-T21 WeakPolarHBondContact O-CB 3.32Å; I17-T21 PolarHBondContact O-N 3.11Å; I17-T21 PolarHBondContact O-OG1 3.35Å; E18-T21 PolarHBondContact O-N 2.7Å; E18-T21 VanDerWaalsContact O-N 3.17Å; D19-T21 VanDerWaalsContact C-N 3.34Å; T21-I23 VanDerWaalsContact C-N 3.3Å; T21-I23 PolarHBondContact O-N 3.48Å; T21-L24 PolarHBondContact O-N 3.33Å; T21-D25 WeakPolarHBondContact O-CB 3.25Å; T21-D25 PolarHBondContact O-N 2.76Å; T21-V37 HydrophobicContact CG2-CB 4.17Å; T21-V37 HydrophobicContact CG2-CG1 4.32Å |
| 22 | E | 96.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 173.9 | -163.1 | -150.7 | 111.5 | 0 | 0 | 112 | E18 D19 D25 R26 | E18-E22 PolarHBondContact O-N 3.03Å; D19-E22 PolarHBondContact O-N 3.27Å; E22-D25 WeakPolarHBondContact O-CB 3.28Å; E22-D25 PolarHBondContact O-N 3.31Å; E22-R26 PolarHBondContact O-N 3.15Å; E22-R26 IonicContact OE1-NH2 3.84Å; E22-R26 PolarHBondContact OE1-NH2 3.13Å |
| 23 | I | 95.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 175.3 | -65.3 | 162.6 | 0 | 0 | 0 | 110.4 | D19 T21 R26 Y27 D93 F94 Y97 | D19-I23 WeakPolarHBondContact O-CG1 3.23Å; D19-I23 PolarHBondContact O-N 2.76Å; T21-I23 VanDerWaalsContact C-N 3.3Å; T21-I23 PolarHBondContact O-N 3.48Å; I23-R26 WeakPolarHBondContact O-CB 3.42Å; I23-R26 PolarHBondContact O-N 3.05Å; I23-Y27 HydrophobicContact CG2-CD2 3.9Å; I23-Y27 HydrophobicContact CG2-CE2 3.64Å; I23-Y27 WeakPolarHBondContact O-CD2 3.2Å; I23-Y27 PolarHBondContact O-N 3.2Å; I23-D93 HydrophobicContact CD1-CB 4.37Å; I23-D93 HydrophobicContact CG2-CB 3.87Å; I23-F94 HydrophobicContact CB-CE1 4Å; I23-F94 HydrophobicContact CD1-CD1 4.14Å; I23-F94 HydrophobicContact CD1-CE1 4.31Å; I23-F94 HydrophobicContact CG2-CD1 4.02Å; I23-F94 HydrophobicContact CG2-CE1 3.72Å; I23-Y97 HydrophobicContact CD1-CD2 4.09Å; I23-Y97 HydrophobicContact CD1-CE2 3.56Å |
| 24 | L | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.9 | -66.7 | 169.9 | 0 | 0 | 0 | 112.2 | I4 L20 T21 R26 Y27 V28 V37 L83 I90 F94 | I4-L24 HydrophobicContact CD1-CD1 3.88Å; I4-L24 HydrophobicContact CD1-CD2 4.09Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.22Å; L20-L24 VanDerWaalsContact O-N 3.13Å; T21-L24 PolarHBondContact O-N 3.33Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 3.4Å; L24-Y27 PolarHBondContact O-N 2.84Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.15Å; L24-V28 VanDerWaalsContact O-N 3.09Å; L24-V37 HydrophobicContact CB-CB 4.44Å; L24-V37 HydrophobicContact CB-CG1 4.28Å; L24-V37 HydrophobicContact CB-CG2 4.07Å; L24-L83 HydrophobicContact CD2-CD2 3.76Å; L24-I90 HydrophobicContact CD2-CG2 4.16Å; L24-F94 HydrophobicContact CD1-CZ 4.24Å; L24-F94 HydrophobicContact CD2-CZ 4.05Å; L24-F94 HydrophobicContact CG-CE1 4.43Å; L24-F94 HydrophobicContact CG-CZ 3.97Å |
| 25 | D | 96.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.2 | -51.4 | 172 | -92.7 | -9.8 | 0 | 0 | 0 | 110.2 | T21 E22 Y27 V28 Q29 K36 V37 | T21-D25 WeakPolarHBondContact O-CB 3.25Å; T21-D25 PolarHBondContact O-N 2.76Å; E22-D25 WeakPolarHBondContact O-CB 3.28Å; E22-D25 PolarHBondContact O-N 3.31Å; D25-Y27 PolarHBondContact O-N 2.64Å; D25-V28 PolarHBondContact O-N 2.64Å; D25-Q29 VanDerWaalsContact O-CB 3.28Å; D25-Q29 WeakPolarHBondContact O-CB 3.33Å; D25-Q29 WeakPolarHBondContact O-CG 3.48Å; D25-Q29 PolarHBondContact O-N 3.2Å; D25-K36 WeakPolarHBondContact OD1-CA 3.37Å; D25-V37 WeakPolarHBondContact OD1-CB 3.49Å; D25-V37 PolarHBondContact OD1-N 3.21Å |
| 26 | R | 95.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.7 | -50 | 179.4 | -165 | -175.1 | -56 | 146.5 | 5 | 112.3 | E22 I23 L24 V28 Q29 E30 D93 | E22-R26 PolarHBondContact O-N 3.15Å; E22-R26 IonicContact OE1-NH2 3.84Å; E22-R26 PolarHBondContact OE1-NH2 3.13Å; I23-R26 WeakPolarHBondContact O-CB 3.42Å; I23-R26 PolarHBondContact O-N 3.05Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 3.4Å; R26-V28 VanDerWaalsContact C-N 3.33Å; R26-V28 PolarHBondContact O-N 2.89Å; R26-Q29 PolarHBondContact O-N 2.87Å; R26-E30 WeakPolarHBondContact O-CG 3.25Å; R26-E30 PolarHBondContact O-N 3.19Å; R26-E30 VanDerWaalsContact O-N 3.07Å; R26-D93 IonicContact NH1-OD2 3.44Å; R26-D93 PolarHBondContact NH1-OD2 3.36Å |
| 27 | Y | 94.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -29.6 | -177.8 | -76.4 | -65.3 | 0 | 0 | 0 | 114.3 | I23 L24 D25 K86 D89 I90 | I23-Y27 HydrophobicContact CG2-CD2 3.9Å; I23-Y27 HydrophobicContact CG2-CE2 3.64Å; I23-Y27 WeakPolarHBondContact O-CD2 3.2Å; I23-Y27 PolarHBondContact O-N 3.2Å; L24-Y27 PolarHBondContact O-N 2.84Å; D25-Y27 PolarHBondContact O-N 2.64Å; Y27-K86 HydrophobicContact CD1-CB 4.3Å; Y27-K86 HydrophobicContact CD1-CD 3.62Å; Y27-K86 HydrophobicContact CE1-CD 4.28Å; Y27-K86 HydrophobicContact CG-CD 4.49Å; Y27-K86 PolarHBondContact O-NZ 3.26Å; Y27-D89 HydrophobicContact CE1-CB 4.17Å; Y27-D89 VanDerWaalsContact OH-C 3.28Å; Y27-D89 WeakPolarHBondContact OH-CB 3.45Å; Y27-D89 PolarHBondContact OH-O 2.87Å; Y27-I90 HydrophobicContact CD1-CG1 4.4Å; Y27-I90 HydrophobicContact CD2-CB 4.44Å; Y27-I90 HydrophobicContact CD2-CD1 4.32Å; Y27-I90 HydrophobicContact CD2-CG1 3.4Å; Y27-I90 HydrophobicContact CE2-CB 4.21Å; Y27-I90 HydrophobicContact CE2-CG1 3.53Å; Y27-I90 HydrophobicContact CG-CD1 4.43Å; Y27-I90 HydrophobicContact CG-CG1 3.86Å |
| 28 | V | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -81.2 | -35.8 | 174.1 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | L24 D25 R26 E30 Q31 I32 A35 V37 A65 I74 L79 L83 | L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.15Å; L24-V28 VanDerWaalsContact O-N 3.09Å; D25-V28 PolarHBondContact O-N 2.64Å; R26-V28 VanDerWaalsContact C-N 3.33Å; R26-V28 PolarHBondContact O-N 2.89Å; V28-E30 VanDerWaalsContact C-N 3.3Å; V28-E30 PolarHBondContact O-N 3.05Å; V28-Q31 WeakPolarHBondContact O-CA 3.26Å; V28-Q31 PolarHBondContact O-N 2.97Å; V28-I32 PolarHBondContact O-N 3.45Å; V28-A35 HydrophobicContact CG1-CB 3.86Å; V28-V37 HydrophobicContact CB-CG2 4.31Å; V28-V37 HydrophobicContact CG2-CG2 3.92Å; V28-A65 HydrophobicContact CG1-CB 4.15Å; V28-I74 HydrophobicContact CG1-CD1 4.17Å; V28-L79 HydrophobicContact CG2-CD1 3.95Å; V28-L83 HydrophobicContact CG2-CD2 4.09Å |
| 29 | Q | 95.2 | Very high | 95.3 | Very high | 78 Ų | 78 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -29.9 | 176.3 | -74.9 | 169.7 | 21 | 0 | 0 | 113.1 | D25 R26 Q31 I32 A35 | D25-Q29 VanDerWaalsContact O-CB 3.28Å; D25-Q29 WeakPolarHBondContact O-CB 3.33Å; D25-Q29 WeakPolarHBondContact O-CG 3.48Å; D25-Q29 PolarHBondContact O-N 3.2Å; R26-Q29 PolarHBondContact O-N 2.87Å; Q29-Q31 PolarHBondContact O-N 3.33Å; Q29-Q31 VanDerWaalsContact O-N 3.15Å; Q29-I32 WeakPolarHBondContact CA-O 3.47Å; Q29-I32 CarbonylContact O-C 3.29Å; Q29-A35 WeakPolarHBondContact CG-O 3.3Å; Q29-A35 PolarHBondContact NE2-O 3.17Å |
| 30 | E | 93.8 | Very high | 95.2 | Very high | 112 Ų | 112 | 50.4 Ų | 50.4 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.6 | 167.7 | -77.2 | 177 | -169.6 | 0 | 0 | 113.9 | R26 V28 K86 | R26-E30 WeakPolarHBondContact O-CG 3.25Å; R26-E30 PolarHBondContact O-N 3.19Å; R26-E30 VanDerWaalsContact O-N 3.07Å; V28-E30 VanDerWaalsContact C-N 3.3Å; V28-E30 PolarHBondContact O-N 3.05Å; E30-K86 IonicContact OE2-NZ 2.65Å; E30-K86 PolarHBondContact OE2-NZ 3.39Å |
| 31 | Q | 92.6 | Very high | 95.1 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -40.1 | 177.4 | -54.6 | -66.4 | -97.4 | 0 | 0 | 111.8 | V28 Q29 F82 | V28-Q31 WeakPolarHBondContact O-CA 3.26Å; V28-Q31 PolarHBondContact O-N 2.97Å; Q29-Q31 PolarHBondContact O-N 3.33Å; Q29-Q31 VanDerWaalsContact O-N 3.15Å; Q31-F82 HydrophobicContact CB-CD1 4.01Å; Q31-F82 HydrophobicContact CB-CD2 4.27Å; Q31-F82 HydrophobicContact CB-CE1 3.97Å; Q31-F82 HydrophobicContact CB-CE2 4.23Å; Q31-F82 HydrophobicContact CB-CG 4.18Å; Q31-F82 HydrophobicContact CB-CZ 4.09Å; Q31-F82 HydrophobicContact CG-CB 4.29Å; Q31-F82 HydrophobicContact CG-CD1 3.7Å; Q31-F82 HydrophobicContact CG-CD2 4.48Å; Q31-F82 HydrophobicContact CG-CE1 4.11Å; Q31-F82 HydrophobicContact CG-CG 3.92Å |
| 32 | I | 92.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -130.4 | 99.1 | 178.7 | -60.4 | 178.2 | 0 | 0 | 0 | 108.3 | V28 Q29 G34 A35 D67 I74 F82 | V28-I32 PolarHBondContact O-N 3.45Å; Q29-I32 WeakPolarHBondContact CA-O 3.47Å; Q29-I32 CarbonylContact O-C 3.29Å; I32-G34 PolarHBondContact O-N 2.57Å; I32-A35 HydrophobicContact CB-CB 3.96Å; I32-A35 HydrophobicContact CG2-CB 3.98Å; I32-A35 WeakPolarHBondContact O-CB 3.44Å; I32-A35 PolarHBondContact O-N 3.05Å; I32-D67 HydrophobicContact CG2-CB 4.08Å; I32-I74 HydrophobicContact CB-CD1 4.5Å; I32-I74 HydrophobicContact CD1-CD1 3.71Å; I32-I74 HydrophobicContact CD1-CG1 3.76Å; I32-I74 HydrophobicContact CD1-CG2 4.1Å; I32-F82 HydrophobicContact CD1-CE2 3.92Å; I32-F82 HydrophobicContact CD1-CZ 4.32Å; I32-F82 HydrophobicContact CG1-CE2 4.37Å |
| 33 | P | 94.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 124.3 | -173.3 | -29.6 | 36.6 | 0 | 0 | 0 | 113.6 | A35 | P33-A35 VanDerWaalsContact C-N 3.32Š|
| 34 | G | 92.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I32 P68 | I32-G34 PolarHBondContact O-N 2.57Å; G34-P68 WeakPolarHBondContact O-CD 3.36Å; G34-P68 WeakPolarHBondContact O-CG 3.47Å |
| 35 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -57.1 | 147.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V28 Q29 I32 P33 I66 I74 | V28-A35 HydrophobicContact CG1-CB 3.86Å; Q29-A35 WeakPolarHBondContact CG-O 3.3Å; Q29-A35 PolarHBondContact NE2-O 3.17Å; I32-A35 HydrophobicContact CB-CB 3.96Å; I32-A35 HydrophobicContact CG2-CB 3.98Å; I32-A35 WeakPolarHBondContact O-CB 3.44Å; I32-A35 PolarHBondContact O-N 3.05Å; P33-A35 VanDerWaalsContact C-N 3.32Å; A35-I66 CarbonylContact C-O 3.51Å; A35-I66 VanDerWaalsContact CA-O 3.29Å; A35-I66 WeakPolarHBondContact CA-O 3.34Å; A35-I74 HydrophobicContact CB-CD1 3.8Å | ||
| 36 | K | 96.4 | Very high | 95 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.5 | 179.4 | -178.1 | 160.5 | -172 | 166.8 | 0 | 112.6 | D25 A65 I66 | D25-K36 WeakPolarHBondContact OD1-CA 3.37Å; K36-A65 CarbonylContact O-C 3.6Å; K36-A65 VanDerWaalsContact O-CA 3.29Å; K36-A65 WeakPolarHBondContact O-CA 3.44Å; K36-I66 PolarHBondContact N-O 3.35Å; K36-I66 PolarHBondContact O-N 3.45Å |
| 37 | V | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.7 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | T21 L24 D25 V28 V63 Y64 A65 | T21-V37 HydrophobicContact CG2-CB 4.17Å; T21-V37 HydrophobicContact CG2-CG1 4.32Å; L24-V37 HydrophobicContact CB-CB 4.44Å; L24-V37 HydrophobicContact CB-CG1 4.28Å; L24-V37 HydrophobicContact CB-CG2 4.07Å; D25-V37 WeakPolarHBondContact OD1-CB 3.49Å; D25-V37 PolarHBondContact OD1-N 3.21Å; V28-V37 HydrophobicContact CB-CG2 4.31Å; V28-V37 HydrophobicContact CG2-CG2 3.92Å; V37-V63 HydrophobicContact CG1-CB 4.04Å; V37-V63 HydrophobicContact CG1-CG1 4.07Å; V37-Y64 CarbonylContact C-O 3.51Å; V37-Y64 WeakPolarHBondContact CA-O 3.35Å; V37-A65 HydrophobicContact CG2-CB 4.25Å |
| 38 | V | 96.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.5 | 178 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | V63 Y64 I66 | V38-V63 WeakPolarHBondContact O-CA 3.43Å; V38-Y64 HydrophobicContact CB-CD2 4.22Å; V38-Y64 HydrophobicContact CB-CE1 4.06Å; V38-Y64 HydrophobicContact CB-CE2 3.72Å; V38-Y64 HydrophobicContact CG1-CE1 4.04Å; V38-Y64 HydrophobicContact CG1-CE2 4.21Å; V38-Y64 WeakPolarHBondContact CG1-OH 3.26Å; V38-Y64 HydrophobicContact CG2-CE2 4.03Å; V38-Y64 PolarHBondContact N-O 2.96Å; V38-Y64 PolarHBondContact O-N 3.1Å; V38-I66 HydrophobicContact CG2-CG1 4.43Å |
| 39 | V | 96.7 | Very high | 93.9 | Very high | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.6 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | I17 I42 L61 V63 | I17-V39 HydrophobicContact CD1-CG1 4.29Å; I17-V39 HydrophobicContact CD1-CG2 3.77Å; I17-V39 HydrophobicContact CG1-CB 4.48Å; I17-V39 HydrophobicContact CG1-CG1 4.37Å; I17-V39 HydrophobicContact CG1-CG2 3.8Å; V39-I42 HydrophobicContact CG1-CD1 4.32Å; V39-I42 HydrophobicContact CG1-CG1 3.87Å; V39-L61 HydrophobicContact CG1-CD1 3.66Å; V39-L61 HydrophobicContact CG2-CD1 4.25Å; V39-V63 HydrophobicContact CG2-CG1 4.14Å |
| 40 | E | 94.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -43.1 | 177.7 | 178.7 | 71.5 | -171.5 | 0 | 0 | 110.8 | M1 T62 Y64 | M1-E40 HydrophobicContact CE-CB 4.4Å; M1-E40 HydrophobicContact CE-CG 3.79Å; M1-E40 VanDerWaalsContact CE-OE2 3.3Å; M1-E40 WeakPolarHBondContact CE-OE2 3.35Å; M1-E40 HydrophobicContact SD-CG 4.43Å; E40-T62 HydrophobicContact CB-CG2 3.89Å; E40-T62 HydrophobicContact CG-CG2 4.18Å; E40-T62 PolarHBondContact N-O 2.84Å; E40-Y64 HydrophobicContact CB-CD1 4.35Å; E40-Y64 HydrophobicContact CB-CE1 4.3Å; E40-Y64 WeakPolarHBondContact OE2-CE1 3.4Å |
| 41 | S | 94.3 | Very high | 93 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 154.5 | -178.7 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | T62 | S41-T62 PolarHBondContact N-O 3.11Å; S41-T62 PolarHBondContact O-N 2.86Å; S41-T62 VanDerWaalsContact OG-CB 3.3Å; S41-T62 WeakPolarHBondContact OG-CB 3.46Å; S41-T62 PolarHBondContact OG-OG1 2.9Å; S41-T62 VanDerWaalsContact OG-OG1 3.07Å |
| 42 | I | 96.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.4 | 174.3 | -47.7 | -179.8 | 0 | 0 | 0 | 106.8 | P10 V13 E14 I17 V39 C59 L61 | P10-I42 HydrophobicContact CB-CG2 4.02Å; V13-I42 HydrophobicContact CB-CG2 4.23Å; V13-I42 HydrophobicContact CG1-CG2 4.17Å; E14-I42 HydrophobicContact CB-CD1 3.96Å; E14-I42 HydrophobicContact CG-CD1 4.33Å; I17-I42 HydrophobicContact CB-CD1 4.21Å; I17-I42 HydrophobicContact CD1-CD1 3.81Å; I17-I42 HydrophobicContact CG1-CD1 3.87Å; V39-I42 HydrophobicContact CG1-CD1 4.32Å; V39-I42 HydrophobicContact CG1-CG1 3.87Å; I42-C59 VanDerWaalsContact CG2-SG 3.54Å; I42-L61 HydrophobicContact CG1-CD1 4Å |
| 43 | G | 95.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C59 D60 | G43-C59 CarbonylContact O-C 3.55Å; G43-C59 WeakPolarHBondContact O-CA 3.34Å; G43-D60 PolarHBondContact N-O 2.71Å; G43-D60 PolarHBondContact O-N 2.99Å |
| 44 | A | 96 | Very high | 92.8 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 146.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R46 E54 Y56 | A44-R46 PolarHBondContact O-N 2.99Å; A44-R46 VanDerWaalsContact O-N 3.11Å; A44-E54 HydrophobicContact CB-CB 4.14Å; A44-Y56 HydrophobicContact CB-CD1 3.7Å; A44-Y56 HydrophobicContact CB-CD2 3.97Å; A44-Y56 HydrophobicContact CB-CE1 3.84Å; A44-Y56 HydrophobicContact CB-CE2 4.12Å; A44-Y56 HydrophobicContact CB-CG 3.77Å |
| 45 | R | 95.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 61.6 Ų | 61.6 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 116.8 | -178.5 | -177.3 | -172 | -174.8 | -164.7 | 10.5 | 110.8 | V5 H47 D55 K58 D60 E106 | V5-R45 HydrophobicContact CG1-CG 3.93Å; V5-R45 VanDerWaalsContact CG1-NE 3.29Å; R45-H47 PolarHBondContact O-ND1 3.15Å; R45-D55 HydrophobicContact CB-CB 4.35Å; R45-D55 PolarHBondContact N-O 3.39Å; R45-D55 PolarHBondContact O-N 2.71Å; R45-K58 HydrophobicContact CB-CB 3.6Å; R45-K58 HydrophobicContact CG-CB 4.42Å; R45-K58 PolarHBondContact N-O 2.95Å; R45-K58 VanDerWaalsContact N-O 3.1Å; R45-D60 WeakPolarHBondContact CA-OD2 3.5Å; R45-E106 IonicContact CZ-OE1 3.14Å; R45-E106 IonicContact NE-OE1 3.1Å; R45-E106 IonicContact NH2-OE1 2.68Å; R45-E106 PolarHBondContact NH2-OE1 3.19Å; R45-E106 IonicContact NH2-OE2 3.81Å |
| 46 | R | 93.4 | Very high | 93 | Very high | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.1 | 171 | -60.7 | -76.9 | 169.6 | -171.5 | -12.1 | 109.8 | A44 F51 L53 E54 D60 | A44-R46 PolarHBondContact O-N 2.99Å; A44-R46 VanDerWaalsContact O-N 3.11Å; R46-F51 HydrophobicContact CB-CB 3.97Å; R46-F51 HydrophobicContact CB-CD1 3.92Å; R46-F51 HydrophobicContact CB-CG 4.4Å; R46-F51 WeakPolarHBondContact CB-O 3.41Å; R46-F51 VanDerWaalsContact CD-O 3.23Å; R46-F51 WeakPolarHBondContact CD-O 3.49Å; R46-F51 WeakPolarHBondContact O-CD1 3.36Å; R46-L53 CarbonylContact C-O 3.36Å; R46-L53 VanDerWaalsContact CA-O 3.3Å; R46-L53 WeakPolarHBondContact CA-O 3.41Å; R46-E54 VanDerWaalsContact CZ-CG 3.44Å; R46-E54 IonicContact CZ-OE1 2.71Å; R46-E54 IonicContact CZ-OE2 3.71Å; R46-E54 IonicContact NH1-OE1 3.27Å; R46-E54 PolarHBondContact NH1-OE1 2.99Å; R46-E54 IonicContact NH2-OE1 3.93Å; R46-E54 PolarHBondContact NH2-OE1 3.27Å; R46-E54 IonicContact NH2-OE2 3.61Å; R46-E54 PolarHBondContact NH2-OE2 2.65Å; R46-E54 VanDerWaalsContact NH2-OE2 3.14Å; R46-D60 WeakPolarHBondContact CB-OD2 3.41Å; R46-D60 PolarHBondContact N-OD2 2.76Å |
| 47 | H | 91.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 67 Ų | 67 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | -176.7 | 178.4 | 68.2 | -69.4 | 0 | 0 | 0 | 111.4 | R45 F51 S52 L53 | R45-H47 PolarHBondContact O-ND1 3.15Å; H47-F51 CarbonylContact O-C 3.57Å; H47-F51 VanDerWaalsContact O-C 3.29Å; H47-F51 WeakPolarHBondContact O-CA 3.34Å; H47-S52 PolarHBondContact O-N 2.95Å; H47-L53 VanDerWaalsContact CE1-CB 3.48Å; H47-L53 WeakPolarHBondContact CE1-CB 3.44Å; H47-L53 PolarHBondContact N-O 3.4Å; H47-L53 PolarHBondContact ND1-O 3.17Å; H47-L53 WeakPolarHBondContact O-CB 3.47Å; H47-L53 PolarHBondContact O-N 3.38Å |
| 48 | G | 88.3 | Confident | 93 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 72.6 | -170.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A50 F51 | G48-A50 PolarHBondContact O-N 3.07Å; G48-F51 PolarHBondContact O-N 3.06Å; G48-F51 VanDerWaalsContact O-N 3.11Å |
| 49 | D | 84.2 | Confident | 93 | Very high | 147 Ų | 147 | 67.1 Ų | 67.1 | 79% | 0.786 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -62.8 | 131 | -178.3 | -70.5 | -42.3 | 0 | 0 | 0 | 111.4 | F51 S52 | D49-F51 PolarHBondContact O-N 2.99Å; D49-F51 VanDerWaalsContact O-N 3.1Å; D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 2.92Å; D49-S52 PolarHBondContact O-OG 3.47Å |
| 50 | A | 83.5 | Confident | 93 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 60% | 0.595 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | 46.1 | 36.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G48 S52 | G48-A50 PolarHBondContact O-N 3.07Å; A50-S52 PolarHBondContact O-N 2.85Å |
| 51 | F | 86 | Confident | 93 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | 56.4 | 22.2 | 176 | -73.7 | -76.8 | 0 | 0 | 0 | 114.6 | R46 H47 G48 D49 L53 E111 | R46-F51 HydrophobicContact CB-CB 3.97Å; R46-F51 HydrophobicContact CB-CD1 3.92Å; R46-F51 HydrophobicContact CB-CG 4.4Å; R46-F51 WeakPolarHBondContact CB-O 3.41Å; R46-F51 VanDerWaalsContact CD-O 3.23Å; R46-F51 WeakPolarHBondContact CD-O 3.49Å; R46-F51 WeakPolarHBondContact O-CD1 3.36Å; H47-F51 CarbonylContact O-C 3.57Å; H47-F51 VanDerWaalsContact O-C 3.29Å; H47-F51 WeakPolarHBondContact O-CA 3.34Å; G48-F51 PolarHBondContact O-N 3.06Å; G48-F51 VanDerWaalsContact O-N 3.11Å; D49-F51 PolarHBondContact O-N 2.99Å; D49-F51 VanDerWaalsContact O-N 3.1Å; F51-L53 PolarHBondContact O-N 3.07Å; F51-E111 HydrophobicContact CD2-CB 4.01Å; F51-E111 HydrophobicContact CD2-CG 3.8Å |
| 52 | S | 86.9 | Confident | 93.1 | Very high | 77 Ų | 77 | 58.9 Ų | 58.9 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | trans | -72.4 | -25 | -170.8 | 55.9 | 0 | 0 | 0 | 0 | 115 | H47 D49 A50 | H47-S52 PolarHBondContact O-N 2.95Å; D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 2.92Å; D49-S52 PolarHBondContact O-OG 3.47Å; A50-S52 PolarHBondContact O-N 2.85Å | ||
| 53 | L | 92.6 | Very high | 93.1 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.2 | -176.7 | -61.6 | 174.6 | 0 | 0 | 0 | 112 | R46 H47 F51 | R46-L53 CarbonylContact C-O 3.36Å; R46-L53 VanDerWaalsContact CA-O 3.3Å; R46-L53 WeakPolarHBondContact CA-O 3.41Å; H47-L53 VanDerWaalsContact CE1-CB 3.48Å; H47-L53 WeakPolarHBondContact CE1-CB 3.44Å; H47-L53 PolarHBondContact N-O 3.4Å; H47-L53 PolarHBondContact ND1-O 3.17Å; H47-L53 WeakPolarHBondContact O-CB 3.47Å; H47-L53 PolarHBondContact O-N 3.38Å; F51-L53 PolarHBondContact O-N 3.07Å |
| 54 | E | 94.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.4 | -179 | -63.1 | -172.1 | -142.2 | 0 | 0 | 111.6 | A44 R46 Y56 | A44-E54 HydrophobicContact CB-CB 4.14Å; R46-E54 VanDerWaalsContact CZ-CG 3.44Å; R46-E54 IonicContact CZ-OE1 2.71Å; R46-E54 IonicContact CZ-OE2 3.71Å; R46-E54 IonicContact NH1-OE1 3.27Å; R46-E54 PolarHBondContact NH1-OE1 2.99Å; R46-E54 IonicContact NH2-OE1 3.93Å; R46-E54 PolarHBondContact NH2-OE1 3.27Å; R46-E54 IonicContact NH2-OE2 3.61Å; R46-E54 PolarHBondContact NH2-OE2 2.65Å; R46-E54 VanDerWaalsContact NH2-OE2 3.14Å; E54-Y56 HydrophobicContact CB-CD2 4.36Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; E54-Y56 PolarHBondContact OE2-OH 2.88Å |
| 55 | D | 96.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 98.2 | 173.6 | 175.7 | 6.6 | 0 | 0 | 0 | 110.3 | R45 T57 K58 | R45-D55 HydrophobicContact CB-CB 4.35Å; R45-D55 PolarHBondContact N-O 3.39Å; R45-D55 PolarHBondContact O-N 2.71Å; D55-T57 PolarHBondContact O-N 3.1Å; D55-T57 WeakPolarHBondContact OD1-CB 3.46Å; D55-T57 PolarHBondContact OD1-N 3.11Å; D55-T57 PolarHBondContact OD1-OG1 3.29Å; D55-T57 PolarHBondContact OD2-OG1 3.03Å; D55-K58 PolarHBondContact O-N 2.96Å; D55-K58 IonicContact OD1-NZ 3.74Å; D55-K58 VanDerWaalsContact OD2-CD 3.25Å; D55-K58 WeakPolarHBondContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CE 3.29Å; D55-K58 IonicContact OD2-NZ 2.59Å; D55-K58 PolarHBondContact OD2-NZ 2.74Å |
| 56 | Y | 96.3 | Very high | 93.2 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -7.7 | 179.3 | -73.3 | -93.1 | 0 | 0 | 0 | 114.4 | P9 A44 E54 K58 | P9-Y56 WeakPolarHBondContact CB-O 3.5Å; A44-Y56 HydrophobicContact CB-CD1 3.7Å; A44-Y56 HydrophobicContact CB-CD2 3.97Å; A44-Y56 HydrophobicContact CB-CE1 3.84Å; A44-Y56 HydrophobicContact CB-CE2 4.12Å; A44-Y56 HydrophobicContact CB-CG 3.77Å; E54-Y56 HydrophobicContact CB-CD2 4.36Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; E54-Y56 PolarHBondContact OE2-OH 2.88Å; Y56-K58 PolarHBondContact O-N 3.2Å |
| 57 | T | 95.8 | Very high | 93.3 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -11 | 171.1 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | N7 V8 D55 | N7-T57 CarbonylContact C-O 3.52Å; V8-T57 CarbonylContact C-O 3.6Å; D55-T57 PolarHBondContact O-N 3.1Å; D55-T57 WeakPolarHBondContact OD1-CB 3.46Å; D55-T57 PolarHBondContact OD1-N 3.11Å; D55-T57 PolarHBondContact OD1-OG1 3.29Å; D55-T57 PolarHBondContact OD2-OG1 3.03Å |
| 58 | K | 96.8 | Very high | 93.4 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.3 | -174 | -57 | -177.7 | -170.8 | 59.7 | 0 | 109.5 | S6 V8 R45 D55 Y56 L105 | S6-K58 CarbonylContact O-C 3.55Å; S6-K58 WeakPolarHBondContact O-CA 3.44Å; S6-K58 VanDerWaalsContact O-CB 3.31Å; S6-K58 WeakPolarHBondContact O-CB 3.29Å; V8-K58 CarbonylContact O-C 3.4Å; V8-K58 VanDerWaalsContact O-CA 3.3Å; V8-K58 WeakPolarHBondContact O-CA 3.45Å; R45-K58 HydrophobicContact CB-CB 3.6Å; R45-K58 HydrophobicContact CG-CB 4.42Å; R45-K58 PolarHBondContact N-O 2.95Å; R45-K58 VanDerWaalsContact N-O 3.1Å; D55-K58 PolarHBondContact O-N 2.96Å; D55-K58 IonicContact OD1-NZ 3.74Å; D55-K58 VanDerWaalsContact OD2-CD 3.25Å; D55-K58 WeakPolarHBondContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CE 3.29Å; D55-K58 IonicContact OD2-NZ 2.59Å; D55-K58 PolarHBondContact OD2-NZ 2.74Å; Y56-K58 PolarHBondContact O-N 3.2Å; K58-L105 HydrophobicContact CD-CD1 4.2Å |
| 59 | C | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.6 | -177.1 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | V5 S6 V8 P10 V13 I42 G43 | V5-C59 CarbonylContact C-O 3.59Å; V5-C59 WeakPolarHBondContact CA-O 3.48Å; S6-C59 PolarHBondContact N-O 2.88Å; S6-C59 PolarHBondContact O-N 2.89Å; V8-C59 VanDerWaalsContact O-CB 3.28Å; V8-C59 WeakPolarHBondContact O-CB 3.34Å; V8-C59 PolarHBondContact O-N 2.76Å; P10-C59 HydrophobicContact CB-CB 4.37Å; V13-C59 HydrophobicContact CG2-CB 3.78Å; I42-C59 VanDerWaalsContact CG2-SG 3.54Å; G43-C59 CarbonylContact O-C 3.55Å; G43-C59 WeakPolarHBondContact O-CA 3.34Å |
| 60 | D | 96.5 | Very high | 94 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.8 | 154.8 | -81.6 | -37.9 | 0 | 0 | 0 | 107.9 | V3 V5 G43 R45 R46 R108 | V3-D60 HydrophobicContact CG1-CB 3.59Å; V3-D60 WeakPolarHBondContact CG1-OD1 3.33Å; V5-D60 WeakPolarHBondContact CG2-OD1 3.41Å; G43-D60 PolarHBondContact N-O 2.71Å; G43-D60 PolarHBondContact O-N 2.99Å; R45-D60 WeakPolarHBondContact CA-OD2 3.5Å; R46-D60 WeakPolarHBondContact CB-OD2 3.41Å; R46-D60 PolarHBondContact N-OD2 2.76Å; D60-R108 IonicContact OD1-CZ 2.76Å; D60-R108 IonicContact OD1-NE 2.91Å; D60-R108 PolarHBondContact OD1-NE 3.27Å; D60-R108 VanDerWaalsContact OD1-NE 3.09Å; D60-R108 IonicContact OD1-NH2 2.64Å; D60-R108 PolarHBondContact OD1-NH2 3.13Å; D60-R108 IonicContact OD2-CZ 2.76Å; D60-R108 IonicContact OD2-NE 3.09Å; D60-R108 IonicContact OD2-NH2 2.64Å; D60-R108 PolarHBondContact OD2-NH2 3.21Å |
| 61 | L | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 105.2 | 176.2 | 167.5 | 59.7 | 0 | 0 | 0 | 108.6 | V3 I4 V13 I17 V39 I42 V63 | V3-L61 WeakPolarHBondContact CA-O 3.3Å; I4-L61 HydrophobicContact CB-CB 4.27Å; I4-L61 HydrophobicContact CD1-CD2 4.5Å; I4-L61 PolarHBondContact N-O 2.88Å; I4-L61 PolarHBondContact O-N 3.09Å; V13-L61 HydrophobicContact CG1-CD2 4.09Å; I17-L61 HydrophobicContact CD1-CD1 3.75Å; I17-L61 HydrophobicContact CD1-CD2 4.26Å; V39-L61 HydrophobicContact CG1-CD1 3.66Å; V39-L61 HydrophobicContact CG2-CD1 4.25Å; I42-L61 HydrophobicContact CG1-CD1 4Å; L61-V63 HydrophobicContact CD1-CG1 4.13Å; L61-V63 HydrophobicContact CG-CG1 4.02Å |
| 62 | T | 95.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.9 | 179.8 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | Q2 V3 E40 S41 | Q2-T62 WeakPolarHBondContact O-CA 3.41Å; V3-T62 HydrophobicContact CG2-CG2 4.28Å; E40-T62 HydrophobicContact CB-CG2 3.89Å; E40-T62 HydrophobicContact CG-CG2 4.18Å; E40-T62 PolarHBondContact N-O 2.84Å; S41-T62 PolarHBondContact N-O 3.11Å; S41-T62 PolarHBondContact O-N 2.86Å; S41-T62 VanDerWaalsContact OG-CB 3.3Å; S41-T62 WeakPolarHBondContact OG-CB 3.46Å; S41-T62 PolarHBondContact OG-OG1 2.9Å; S41-T62 VanDerWaalsContact OG-OG1 3.07Å |
| 63 | V | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.1 | -179.7 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | M1 Q2 I4 V37 V38 V39 L61 | M1-V63 CarbonylContact C-O 3.56Å; M1-V63 WeakPolarHBondContact CA-O 3.11Å; Q2-V63 PolarHBondContact N-O 2.72Å; Q2-V63 PolarHBondContact O-N 2.75Å; I4-V63 HydrophobicContact CD1-CG2 3.76Å; I4-V63 HydrophobicContact CG1-CG2 4.05Å; V37-V63 HydrophobicContact CG1-CB 4.04Å; V37-V63 HydrophobicContact CG1-CG1 4.07Å; V38-V63 WeakPolarHBondContact O-CA 3.43Å; V39-V63 HydrophobicContact CG2-CG1 4.14Å; L61-V63 HydrophobicContact CD1-CG1 4.13Å; L61-V63 HydrophobicContact CG-CG1 4.02Å |
| 64 | Y | 96 | Very high | 95.3 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 167.3 | 159.9 | 60 | -86.8 | 0 | 0 | 0 | 109.1 | M1 V37 V38 E40 I66 | M1-Y64 HydrophobicContact CE-CD1 4.05Å; M1-Y64 HydrophobicContact CE-CE1 4.24Å; M1-Y64 HydrophobicContact CG-CD1 4.01Å; M1-Y64 HydrophobicContact CG-CG 4.35Å; V37-Y64 CarbonylContact C-O 3.51Å; V37-Y64 WeakPolarHBondContact CA-O 3.35Å; V38-Y64 HydrophobicContact CB-CD2 4.22Å; V38-Y64 HydrophobicContact CB-CE1 4.06Å; V38-Y64 HydrophobicContact CB-CE2 3.72Å; V38-Y64 HydrophobicContact CG1-CE1 4.04Å; V38-Y64 HydrophobicContact CG1-CE2 4.21Å; V38-Y64 WeakPolarHBondContact CG1-OH 3.26Å; V38-Y64 HydrophobicContact CG2-CE2 4.03Å; V38-Y64 PolarHBondContact N-O 2.96Å; V38-Y64 PolarHBondContact O-N 3.1Å; E40-Y64 HydrophobicContact CB-CD1 4.35Å; E40-Y64 HydrophobicContact CB-CE1 4.3Å; E40-Y64 WeakPolarHBondContact OE2-CE1 3.4Å; Y64-I66 HydrophobicContact CD2-CD1 3.82Å; Y64-I66 HydrophobicContact CD2-CG1 4.16Å; Y64-I66 HydrophobicContact CE2-CD1 3.67Å; Y64-I66 HydrophobicContact CE2-CG1 3.87Å |
| 65 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V28 K36 V37 A73 I74 L79 | V28-A65 HydrophobicContact CG1-CB 4.15Å; K36-A65 CarbonylContact O-C 3.6Å; K36-A65 VanDerWaalsContact O-CA 3.29Å; K36-A65 WeakPolarHBondContact O-CA 3.44Å; V37-A65 HydrophobicContact CG2-CB 4.25Å; A65-A73 CarbonylContact O-C 3.35Å; A65-A73 VanDerWaalsContact O-CA 3.28Å; A65-A73 WeakPolarHBondContact O-CA 3.41Å; A65-I74 HydrophobicContact CB-CB 4.47Å; A65-I74 HydrophobicContact CB-CD1 3.69Å; A65-I74 PolarHBondContact O-N 3.17Å; A65-L79 HydrophobicContact CB-CD1 3.95Å; A65-L79 HydrophobicContact CB-CD2 4.46Å |
| 66 | I | 96.4 | Very high | 95 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 29% | 0.292 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.3 | 173.4 | -60.5 | -56.9 | 0 | 0 | 0 | 108.5 | A35 K36 V38 Y64 R72 A73 | A35-I66 CarbonylContact C-O 3.51Å; A35-I66 VanDerWaalsContact CA-O 3.29Å; A35-I66 WeakPolarHBondContact CA-O 3.34Å; K36-I66 PolarHBondContact N-O 3.35Å; K36-I66 PolarHBondContact O-N 3.45Å; V38-I66 HydrophobicContact CG2-CG1 4.43Å; Y64-I66 HydrophobicContact CD2-CD1 3.82Å; Y64-I66 HydrophobicContact CD2-CG1 4.16Å; Y64-I66 HydrophobicContact CE2-CD1 3.67Å; Y64-I66 HydrophobicContact CE2-CG1 3.87Å; I66-R72 WeakPolarHBondContact CA-O 3.19Å; I66-A73 HydrophobicContact CD1-CB 3.95Å |
| 67 | D | 96.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.5 | 168.7 | 160.5 | 40.8 | 0 | 0 | 0 | 110 | I32 Q69 T70 N71 R72 I74 | I32-D67 HydrophobicContact CG2-CB 4.08Å; D67-Q69 VanDerWaalsContact C-N 3.26Å; D67-Q69 PolarHBondContact O-N 2.84Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.41Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.49Å; D67-Q69 PolarHBondContact OD1-N 3.35Å; D67-T70 VanDerWaalsContact OD2-CB 3.23Å; D67-T70 WeakPolarHBondContact OD2-CB 3.42Å; D67-T70 VanDerWaalsContact OD2-CG2 3.25Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.41Å; D67-T70 PolarHBondContact OD2-N 2.88Å; D67-T70 PolarHBondContact OD2-OG1 2.85Å; D67-N71 VanDerWaalsContact O-CA 3.26Å; D67-N71 WeakPolarHBondContact O-CA 3.29Å; D67-N71 PolarHBondContact O-N 3.13Å; D67-R72 PolarHBondContact N-O 3.41Å; D67-I74 HydrophobicContact CB-CD1 4.13Å; D67-I74 HydrophobicContact CB-CG1 3.84Å |
| 68 | P | 94.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 57 Ų | 57 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.7 | 178 | 32 | -39.4 | 0 | 0 | 0 | 113.8 | G34 N71 | G34-P68 WeakPolarHBondContact O-CD 3.36Å; G34-P68 WeakPolarHBondContact O-CG 3.47Å; P68-N71 PolarHBondContact O-ND2 2.83Å |
| 69 | Q | 92 | Very high | 94.6 | Very high | 142 Ų | 142 | 54.6 Ų | 54.6 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -55 | -179.3 | -54.1 | -175.4 | 22.2 | 0 | 0 | 110.2 | D67 N71 | D67-Q69 VanDerWaalsContact C-N 3.26Å; D67-Q69 PolarHBondContact O-N 2.84Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.41Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.49Å; D67-Q69 PolarHBondContact OD1-N 3.35Å; Q69-N71 VanDerWaalsContact C-N 3.35Å; Q69-N71 PolarHBondContact O-ND2 2.88Å |
| 70 | T | 93.3 | Very high | 94.5 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -14.3 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 114 | D67 R72 | D67-T70 VanDerWaalsContact OD2-CB 3.23Å; D67-T70 WeakPolarHBondContact OD2-CB 3.42Å; D67-T70 VanDerWaalsContact OD2-CG2 3.25Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.41Å; D67-T70 PolarHBondContact OD2-N 2.88Å; D67-T70 PolarHBondContact OD2-OG1 2.85Å; T70-R72 WeakPolarHBondContact O-CG 3.15Å; T70-R72 PolarHBondContact O-N 3.24Å |
| 71 | N | 92.4 | Very high | 94.4 | Very high | 128 Ų | 128 | 63.9 Ų | 63.9 | 68% | 0.684 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36.3 | -172.7 | -70.7 | -95.7 | 0 | 0 | 0 | 112.6 | D67 P68 Q69 | D67-N71 VanDerWaalsContact O-CA 3.26Å; D67-N71 WeakPolarHBondContact O-CA 3.29Å; D67-N71 PolarHBondContact O-N 3.13Å; P68-N71 PolarHBondContact O-ND2 2.83Å; Q69-N71 VanDerWaalsContact C-N 3.35Å; Q69-N71 PolarHBondContact O-ND2 2.88Å |
| 72 | R | 94.4 | Very high | 94.3 | Very high | 182 Ų | 182 | 65.5 Ų | 65.5 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 165 | -176.1 | -72.5 | 171.9 | -175.7 | -92.8 | -1.6 | 110.9 | I66 D67 T70 | I66-R72 WeakPolarHBondContact CA-O 3.19Å; D67-R72 PolarHBondContact N-O 3.41Å; T70-R72 WeakPolarHBondContact O-CG 3.15Å; T70-R72 PolarHBondContact O-N 3.24Å |
| 73 | A | 94.7 | Very high | 94.2 | Very high | 59 Ų | 59 | 64.8 Ų | 64.8 | 49% | 0.488 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A65 I66 | A65-A73 CarbonylContact O-C 3.35Å; A65-A73 VanDerWaalsContact O-CA 3.28Å; A65-A73 WeakPolarHBondContact O-CA 3.41Å; I66-A73 HydrophobicContact CD1-CB 3.95Å |
| 74 | I | 94.6 | Very high | 94 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144 | 170.9 | -68 | 157.5 | 0 | 0 | 0 | 108.9 | V28 I32 A35 A65 D67 E78 L79 F82 | V28-I74 HydrophobicContact CG1-CD1 4.17Å; I32-I74 HydrophobicContact CB-CD1 4.5Å; I32-I74 HydrophobicContact CD1-CD1 3.71Å; I32-I74 HydrophobicContact CD1-CG1 3.76Å; I32-I74 HydrophobicContact CD1-CG2 4.1Å; A35-I74 HydrophobicContact CB-CD1 3.8Å; A65-I74 HydrophobicContact CB-CB 4.47Å; A65-I74 HydrophobicContact CB-CD1 3.69Å; A65-I74 PolarHBondContact O-N 3.17Å; D67-I74 HydrophobicContact CB-CD1 4.13Å; D67-I74 HydrophobicContact CB-CG1 3.84Å; I74-E78 HydrophobicContact CG2-CB 4.12Å; I74-L79 HydrophobicContact CG2-CB 4.42Å; I74-F82 HydrophobicContact CG2-CE2 4.18Å |
| 75 | D | 93.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.1 | -177.7 | 176.2 | 50.6 | 0 | 0 | 0 | 111.3 | N77 E78 L79 | D75-N77 PolarHBondContact O-N 2.91Å; D75-N77 WeakPolarHBondContact OD2-CA 3.46Å; D75-N77 WeakPolarHBondContact OD2-CB 3.08Å; D75-N77 PolarHBondContact OD2-N 2.97Å; D75-N77 PolarHBondContact OD2-ND2 2.78Å; D75-E78 HydrophobicContact CB-CB 4.44Å; D75-E78 HydrophobicContact CB-CG 4.17Å; D75-E78 PolarHBondContact O-N 2.78Å; D75-L79 WeakPolarHBondContact O-CB 3.19Å; D75-L79 PolarHBondContact O-N 2.68Å |
| 76 | R | 91.6 | Very high | 93.8 | Very high | 90 Ų | 90 | 70.3 Ų | 70.3 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.3 | -34.2 | -179.9 | 65 | 178.9 | 171.4 | 138.2 | -1.7 | 112 | Q2 F80 | Q2-R76 HydrophobicContact CG-CB 4.4Å; Q2-R76 PolarHBondContact NE2-O 3.39Å; R76-F80 VanDerWaalsContact O-CB 3.29Å; R76-F80 WeakPolarHBondContact O-CB 3.42Å; R76-F80 PolarHBondContact O-N 3.31Å |
| 77 | N | 92.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 69.1 Ų | 69.1 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -79.2 | -29.8 | -176.6 | -46.3 | -71.9 | 0 | 0 | 0 | 111.1 | D75 K81 | D75-N77 PolarHBondContact O-N 2.91Å; D75-N77 WeakPolarHBondContact OD2-CA 3.46Å; D75-N77 WeakPolarHBondContact OD2-CB 3.08Å; D75-N77 PolarHBondContact OD2-N 2.97Å; D75-N77 PolarHBondContact OD2-ND2 2.78Å; N77-K81 WeakPolarHBondContact O-CD 3.38Å; N77-K81 VanDerWaalsContact O-CG 3.24Å; N77-K81 WeakPolarHBondContact O-CG 3.43Å; N77-K81 PolarHBondContact O-N 3.06Å; N77-K81 VanDerWaalsContact O-N 3.1Å |
| 78 | E | 93.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 75.4 Ų | 75.4 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.7 | -51.1 | 171.3 | -63.7 | 179 | 151.8 | 0 | 0 | 110.8 | I74 D75 F80 K81 F82 | I74-E78 HydrophobicContact CG2-CB 4.12Å; D75-E78 HydrophobicContact CB-CB 4.44Å; D75-E78 HydrophobicContact CB-CG 4.17Å; D75-E78 PolarHBondContact O-N 2.78Å; E78-F80 PolarHBondContact O-N 2.94Å; E78-K81 WeakPolarHBondContact O-CB 3.29Å; E78-K81 PolarHBondContact O-N 3.32Å; E78-F82 HydrophobicContact CB-CE2 3.9Å; E78-F82 HydrophobicContact CB-CZ 3.95Å; E78-F82 VanDerWaalsContact O-CD2 3.3Å; E78-F82 WeakPolarHBondContact O-CD2 3.16Å; E78-F82 WeakPolarHBondContact O-CG 3.37Å; E78-F82 PolarHBondContact O-N 3.5Å |
| 79 | L | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.8 | -37.4 | 174.8 | -177 | 62.4 | 0 | 0 | 0 | 112.2 | V28 A65 I74 D75 L83 | V28-L79 HydrophobicContact CG2-CD1 3.95Å; A65-L79 HydrophobicContact CB-CD1 3.95Å; A65-L79 HydrophobicContact CB-CD2 4.46Å; I74-L79 HydrophobicContact CG2-CB 4.42Å; D75-L79 WeakPolarHBondContact O-CB 3.19Å; D75-L79 PolarHBondContact O-N 2.68Å; L79-L83 HydrophobicContact CD1-CD1 3.88Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 WeakPolarHBondContact O-CB 3.28Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.33Å |
| 80 | F | 94.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -53.7 | 170.9 | 173.2 | -96.9 | 0 | 0 | 0 | 111.6 | Q2 R76 E78 F82 L83 D84 I107 | Q2-F80 HydrophobicContact CG-CB 4.33Å; R76-F80 VanDerWaalsContact O-CB 3.29Å; R76-F80 WeakPolarHBondContact O-CB 3.42Å; R76-F80 PolarHBondContact O-N 3.31Å; E78-F80 PolarHBondContact O-N 2.94Å; F80-F82 VanDerWaalsContact C-N 3.29Å; F80-F82 PolarHBondContact O-N 2.93Å; F80-L83 PolarHBondContact O-N 2.97Å; F80-D84 HydrophobicContact CD2-CB 4.34Å; F80-D84 HydrophobicContact CE1-CB 4.13Å; F80-D84 HydrophobicContact CE2-CB 3.96Å; F80-D84 HydrophobicContact CZ-CB 3.84Å; F80-D84 WeakPolarHBondContact O-CB 3.42Å; F80-D84 PolarHBondContact O-N 3.32Å; F80-I107 HydrophobicContact CD2-CB 4.02Å; F80-I107 HydrophobicContact CD2-CG2 3.92Å; F80-I107 HydrophobicContact CE2-CB 4.05Å; F80-I107 HydrophobicContact CE2-CG2 4.45Å; F80-I107 WeakPolarHBondContact CE2-O 3.26Å |
| 81 | K | 94.1 | Very high | 93.9 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -56.7 | -40.8 | 179.3 | -72.2 | 164.7 | -177 | 176.4 | 0 | 112.8 | N77 E78 G85 | N77-K81 WeakPolarHBondContact O-CD 3.38Å; N77-K81 VanDerWaalsContact O-CG 3.24Å; N77-K81 WeakPolarHBondContact O-CG 3.43Å; N77-K81 PolarHBondContact O-N 3.06Å; N77-K81 VanDerWaalsContact O-N 3.1Å; E78-K81 WeakPolarHBondContact O-CB 3.29Å; E78-K81 PolarHBondContact O-N 3.32Å; K81-G85 WeakPolarHBondContact O-CA 3.37Å; K81-G85 PolarHBondContact O-N 3.18Å |
| 82 | F | 93.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | -178.9 | -57.2 | -30.1 | 0 | 0 | 0 | 112.4 | Q31 I32 I74 E78 F80 | Q31-F82 HydrophobicContact CB-CD1 4.01Å; Q31-F82 HydrophobicContact CB-CD2 4.27Å; Q31-F82 HydrophobicContact CB-CE1 3.97Å; Q31-F82 HydrophobicContact CB-CE2 4.23Å; Q31-F82 HydrophobicContact CB-CG 4.18Å; Q31-F82 HydrophobicContact CB-CZ 4.09Å; Q31-F82 HydrophobicContact CG-CB 4.29Å; Q31-F82 HydrophobicContact CG-CD1 3.7Å; Q31-F82 HydrophobicContact CG-CD2 4.48Å; Q31-F82 HydrophobicContact CG-CE1 4.11Å; Q31-F82 HydrophobicContact CG-CG 3.92Å; I32-F82 HydrophobicContact CD1-CE2 3.92Å; I32-F82 HydrophobicContact CD1-CZ 4.32Å; I32-F82 HydrophobicContact CG1-CE2 4.37Å; I74-F82 HydrophobicContact CG2-CE2 4.18Å; E78-F82 HydrophobicContact CB-CE2 3.9Å; E78-F82 HydrophobicContact CB-CZ 3.95Å; E78-F82 VanDerWaalsContact O-CD2 3.3Å; E78-F82 WeakPolarHBondContact O-CD2 3.16Å; E78-F82 WeakPolarHBondContact O-CG 3.37Å; E78-F82 PolarHBondContact O-N 3.5Å; F80-F82 VanDerWaalsContact C-N 3.29Å; F80-F82 PolarHBondContact O-N 2.93Å |
| 83 | L | 93.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -82.6 | -41.1 | -178.5 | -63.2 | 176.1 | 0 | 0 | 0 | 112.5 | I4 L24 V28 L79 F80 K86 L87 I90 I107 | I4-L83 HydrophobicContact CD1-CD1 4.18Å; L24-L83 HydrophobicContact CD2-CD2 3.76Å; V28-L83 HydrophobicContact CG2-CD2 4.09Å; L79-L83 HydrophobicContact CD1-CD1 3.88Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.06Å; L79-L83 WeakPolarHBondContact O-CB 3.28Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.33Å; F80-L83 PolarHBondContact O-N 2.97Å; L83-K86 CarbonylContact O-C 3.53Å; L83-K86 PolarHBondContact O-N 3.18Å; L83-L87 WeakPolarHBondContact O-CA 3.38Å; L83-L87 PolarHBondContact O-N 3.4Å; L83-I90 HydrophobicContact CB-CD1 4.39Å; L83-I90 HydrophobicContact CD2-CD1 3.97Å; L83-I90 WeakPolarHBondContact O-CD1 3.18Å; L83-I107 HydrophobicContact CB-CD1 3.38Å; L83-I107 HydrophobicContact CD1-CD1 4.41Å |
| 84 | D | 93.5 | Very high | 94.2 | Very high | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 178.5 | -166.6 | 63.4 | 0 | 0 | 0 | 111 | F80 K86 L87 | F80-D84 HydrophobicContact CD2-CB 4.34Å; F80-D84 HydrophobicContact CE1-CB 4.13Å; F80-D84 HydrophobicContact CE2-CB 3.96Å; F80-D84 HydrophobicContact CZ-CB 3.84Å; F80-D84 WeakPolarHBondContact O-CB 3.42Å; F80-D84 PolarHBondContact O-N 3.32Å; D84-K86 PolarHBondContact O-N 3.01Å; D84-L87 WeakPolarHBondContact O-CB 3.36Å; D84-L87 PolarHBondContact O-N 2.89Å; D84-L87 VanDerWaalsContact O-N 3.16Å |
| 85 | G | 93.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 61 Ų | 61 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K81 | K81-G85 WeakPolarHBondContact O-CA 3.37Å; K81-G85 PolarHBondContact O-N 3.18Å |
| 86 | K | 94.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 15.7 | 175.4 | -60.2 | -174.5 | -171.9 | 171.6 | 0 | 112.9 | Y27 E30 L83 D84 L88 D89 I90 | Y27-K86 HydrophobicContact CD1-CB 4.3Å; Y27-K86 HydrophobicContact CD1-CD 3.62Å; Y27-K86 HydrophobicContact CE1-CD 4.28Å; Y27-K86 HydrophobicContact CG-CD 4.49Å; Y27-K86 PolarHBondContact O-NZ 3.26Å; E30-K86 IonicContact OE2-NZ 2.65Å; E30-K86 PolarHBondContact OE2-NZ 3.39Å; L83-K86 CarbonylContact O-C 3.53Å; L83-K86 PolarHBondContact O-N 3.18Å; D84-K86 PolarHBondContact O-N 3.01Å; K86-L88 PolarHBondContact O-N 2.97Å; K86-L88 VanDerWaalsContact O-N 3.1Å; K86-D89 PolarHBondContact O-N 3.23Å; K86-I90 HydrophobicContact CB-CD1 4.2Å; K86-I90 HydrophobicContact CB-CG1 4.48Å; K86-I90 WeakPolarHBondContact O-CG1 3.39Å; K86-I90 PolarHBondContact O-N 2.98Å |
| 87 | L | 93.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -31.3 | -172.2 | -175.6 | 63.1 | 0 | 0 | 0 | 113.3 | L83 D84 N91 I104 I107 | L83-L87 WeakPolarHBondContact O-CA 3.38Å; L83-L87 PolarHBondContact O-N 3.4Å; D84-L87 WeakPolarHBondContact O-CB 3.36Å; D84-L87 PolarHBondContact O-N 2.89Å; D84-L87 VanDerWaalsContact O-N 3.16Å; L87-N91 WeakPolarHBondContact O-CB 3.37Å; L87-N91 VanDerWaalsContact O-CG 3.22Å; L87-N91 PolarHBondContact O-N 3.12Å; L87-N91 PolarHBondContact O-ND2 2.84Å; L87-I104 HydrophobicContact CD1-CB 3.79Å; L87-I104 HydrophobicContact CD1-CD1 4Å; L87-I104 HydrophobicContact CD1-CG2 3.6Å; L87-I107 HydrophobicContact CD1-CD1 4.34Å; L87-I107 HydrophobicContact CD1-CG1 4.49Å |
| 88 | L | 94 | Very high | 94.6 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 76% | 0.764 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70.5 | -40.7 | 178.7 | -157.1 | 81.6 | 0 | 0 | 0 | 112.4 | K86 N91 K92 | K86-L88 PolarHBondContact O-N 2.97Å; K86-L88 VanDerWaalsContact O-N 3.1Å; L88-N91 PolarHBondContact O-N 3.12Å; L88-K92 PolarHBondContact O-N 3.01Å |
| 89 | D | 95.4 | Very high | 94.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.3 | -41 | -179.5 | -62.9 | -59.5 | 0 | 0 | 0 | 111.1 | Y27 K86 N91 K92 D93 | Y27-D89 HydrophobicContact CE1-CB 4.17Å; Y27-D89 VanDerWaalsContact OH-C 3.28Å; Y27-D89 WeakPolarHBondContact OH-CB 3.45Å; Y27-D89 PolarHBondContact OH-O 2.87Å; K86-D89 PolarHBondContact O-N 3.23Å; D89-N91 VanDerWaalsContact C-N 3.25Å; D89-N91 PolarHBondContact O-N 2.81Å; D89-K92 WeakPolarHBondContact O-CB 3.29Å; D89-K92 PolarHBondContact O-N 3.32Å; D89-D93 PolarHBondContact O-N 2.81Å |
| 90 | I | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.3 | -44.5 | 169.6 | -62.7 | 161.2 | 0 | 0 | 0 | 110.1 | L24 Y27 L83 K86 K92 D93 F94 I104 | L24-I90 HydrophobicContact CD2-CG2 4.16Å; Y27-I90 HydrophobicContact CD1-CG1 4.4Å; Y27-I90 HydrophobicContact CD2-CB 4.44Å; Y27-I90 HydrophobicContact CD2-CD1 4.32Å; Y27-I90 HydrophobicContact CD2-CG1 3.4Å; Y27-I90 HydrophobicContact CE2-CB 4.21Å; Y27-I90 HydrophobicContact CE2-CG1 3.53Å; Y27-I90 HydrophobicContact CG-CD1 4.43Å; Y27-I90 HydrophobicContact CG-CG1 3.86Å; L83-I90 HydrophobicContact CB-CD1 4.39Å; L83-I90 HydrophobicContact CD2-CD1 3.97Å; L83-I90 WeakPolarHBondContact O-CD1 3.18Å; K86-I90 HydrophobicContact CB-CD1 4.2Å; K86-I90 HydrophobicContact CB-CG1 4.48Å; K86-I90 WeakPolarHBondContact O-CG1 3.39Å; K86-I90 PolarHBondContact O-N 2.98Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.44Å; I90-D93 PolarHBondContact O-N 3.09Å; I90-F94 HydrophobicContact CG2-CD1 3.95Å; I90-F94 HydrophobicContact CG2-CD2 4.38Å; I90-F94 HydrophobicContact CG2-CE1 3.72Å; I90-F94 HydrophobicContact CG2-CE2 4.18Å; I90-F94 HydrophobicContact CG2-CG 4.3Å; I90-F94 HydrophobicContact CG2-CZ 3.85Å; I90-F94 VanDerWaalsContact O-CB 3.3Å; I90-F94 WeakPolarHBondContact O-CB 3.14Å; I90-F94 VanDerWaalsContact O-CD1 3.29Å; I90-F94 WeakPolarHBondContact O-CD1 3.4Å; I90-F94 WeakPolarHBondContact O-CG 3.5Å; I90-F94 PolarHBondContact O-N 3.47Å; I90-I104 HydrophobicContact CG2-CD1 3.58Å |
| 91 | N | 95.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.102 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -27.8 | 177.3 | -88.6 | -40.4 | 0 | 0 | 0 | 114.3 | L87 L88 D89 Q95 R103 I104 | L87-N91 WeakPolarHBondContact O-CB 3.37Å; L87-N91 VanDerWaalsContact O-CG 3.22Å; L87-N91 PolarHBondContact O-N 3.12Å; L87-N91 PolarHBondContact O-ND2 2.84Å; L88-N91 PolarHBondContact O-N 3.12Å; D89-N91 VanDerWaalsContact C-N 3.25Å; D89-N91 PolarHBondContact O-N 2.81Å; N91-Q95 WeakPolarHBondContact O-CG 3.3Å; N91-Q95 PolarHBondContact O-N 3.26Å; N91-Q95 PolarHBondContact O-NE2 3.29Å; N91-R103 WeakPolarHBondContact OD1-CA 3.37Å; N91-R103 WeakPolarHBondContact OD1-CB 3.44Å; N91-I104 PolarHBondContact ND2-O 3.16Å; N91-I104 WeakPolarHBondContact OD1-CB 3.16Å; N91-I104 PolarHBondContact OD1-N 3.1Å |
| 92 | K | 95.7 | Very high | 94 | Very high | 142 Ų | 142 | 59 Ų | 59 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.1 | -47.2 | 175.1 | 176.8 | -172.3 | 167.5 | -159.7 | 0 | 110.7 | L88 D89 I90 F94 Q95 | L88-K92 PolarHBondContact O-N 3.01Å; D89-K92 WeakPolarHBondContact O-CB 3.29Å; D89-K92 PolarHBondContact O-N 3.32Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.44Å; K92-F94 PolarHBondContact O-N 3.1Å; K92-Q95 WeakPolarHBondContact O-CB 3.45Å; K92-Q95 WeakPolarHBondContact O-CG 3.48Å; K92-Q95 PolarHBondContact O-N 3.23Å |
| 93 | D | 95.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.2 | -23.4 | 176.1 | -83.6 | 22.2 | 0 | 0 | 0 | 112.4 | I23 R26 D89 I90 P96 Y97 | I23-D93 HydrophobicContact CD1-CB 4.37Å; I23-D93 HydrophobicContact CG2-CB 3.87Å; R26-D93 IonicContact NH1-OD2 3.44Å; R26-D93 PolarHBondContact NH1-OD2 3.36Å; D89-D93 PolarHBondContact O-N 2.81Å; I90-D93 PolarHBondContact O-N 3.09Å; D93-P96 VanDerWaalsContact O-CD 3.29Å; D93-P96 WeakPolarHBondContact O-CD 3.28Å; D93-Y97 WeakPolarHBondContact O-CD2 3.12Å; D93-Y97 WeakPolarHBondContact O-CE2 3.5Å |
| 94 | F | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.1 | 173.6 | -81.3 | 24.4 | 0 | 0 | 0 | 114.1 | L20 I23 L24 I90 K92 P96 Y97 Y98 I104 | L20-F94 HydrophobicContact CB-CE1 4.45Å; L20-F94 HydrophobicContact CB-CZ 4.23Å; L20-F94 HydrophobicContact CD2-CD1 3.71Å; L20-F94 HydrophobicContact CD2-CD2 3.85Å; L20-F94 HydrophobicContact CD2-CE1 3.72Å; L20-F94 HydrophobicContact CD2-CE2 3.85Å; L20-F94 HydrophobicContact CD2-CG 3.77Å; L20-F94 HydrophobicContact CD2-CZ 3.78Å; I23-F94 HydrophobicContact CB-CE1 4Å; I23-F94 HydrophobicContact CD1-CD1 4.14Å; I23-F94 HydrophobicContact CD1-CE1 4.31Å; I23-F94 HydrophobicContact CG2-CD1 4.02Å; I23-F94 HydrophobicContact CG2-CE1 3.72Å; L24-F94 HydrophobicContact CD1-CZ 4.24Å; L24-F94 HydrophobicContact CD2-CZ 4.05Å; L24-F94 HydrophobicContact CG-CE1 4.43Å; L24-F94 HydrophobicContact CG-CZ 3.97Å; I90-F94 HydrophobicContact CG2-CD1 3.95Å; I90-F94 HydrophobicContact CG2-CD2 4.38Å; I90-F94 HydrophobicContact CG2-CE1 3.72Å; I90-F94 HydrophobicContact CG2-CE2 4.18Å; I90-F94 HydrophobicContact CG2-CG 4.3Å; I90-F94 HydrophobicContact CG2-CZ 3.85Å; I90-F94 VanDerWaalsContact O-CB 3.3Å; I90-F94 WeakPolarHBondContact O-CB 3.14Å; I90-F94 VanDerWaalsContact O-CD1 3.29Å; I90-F94 WeakPolarHBondContact O-CD1 3.4Å; I90-F94 WeakPolarHBondContact O-CG 3.5Å; I90-F94 PolarHBondContact O-N 3.47Å; K92-F94 PolarHBondContact O-N 3.1Å; F94-P96 VanDerWaalsContact C-CD 3.44Å; F94-Y97 PolarHBondContact O-N 2.69Å; F94-Y98 HydrophobicContact CB-CD2 4.27Å; F94-Y98 HydrophobicContact CB-CG 4.46Å; F94-Y98 HydrophobicContact CD2-CD2 4.18Å; F94-Y98 HydrophobicContact CD2-CE1 4.17Å; F94-Y98 AromaticContact CD2-CE2 3.59Å; F94-Y98 HydrophobicContact CD2-CE2 3.59Å; F94-Y98 AromaticContact CD2-CZ 3.59Å; F94-Y98 HydrophobicContact CE2-CE2 4.3Å; F94-Y98 AromaticContact CE2-CZ 3.95Å; F94-Y98 PolarHBondContact O-N 3.5Å; F94-I104 HydrophobicContact CD2-CD1 3.99Å; F94-I104 HydrophobicContact CD2-CG1 4Å; F94-I104 HydrophobicContact CE2-CD1 3.74Å; F94-I104 HydrophobicContact CE2-CG1 4.03Å; F94-I104 HydrophobicContact CZ-CD1 4.46Å |
| 95 | Q | 94.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 64 Ų | 64 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.7 | -44.2 | -178.7 | -67.7 | -55.4 | -70.5 | 0 | 0 | 114.4 | N91 K92 Y97 G99 G102 | N91-Q95 WeakPolarHBondContact O-CG 3.3Å; N91-Q95 PolarHBondContact O-N 3.26Å; N91-Q95 PolarHBondContact O-NE2 3.29Å; K92-Q95 WeakPolarHBondContact O-CB 3.45Å; K92-Q95 WeakPolarHBondContact O-CG 3.48Å; K92-Q95 PolarHBondContact O-N 3.23Å; Q95-Y97 PolarHBondContact O-N 2.8Å; Q95-Y97 VanDerWaalsContact O-N 3.15Å; Q95-G99 PolarHBondContact O-N 3.07Å; Q95-G102 PolarHBondContact NE2-O 3.35Å |
| 96 | P | 95.2 | Very high | 94.3 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.8 | -19.2 | -178.8 | -20.9 | 34.8 | 0 | 0 | 0 | 114 | D93 F94 | D93-P96 VanDerWaalsContact O-CD 3.29Å; D93-P96 WeakPolarHBondContact O-CD 3.28Å; F94-P96 VanDerWaalsContact C-CD 3.44Å |
| 97 | Y | 95.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -100.3 | -41.5 | -177.2 | -54.7 | -81.4 | 0 | 0 | 0 | 111.7 | K16 D19 L20 I23 D93 F94 Q95 | K16-Y97 HydrophobicContact CB-CD1 4.49Å; K16-Y97 HydrophobicContact CD-CD1 4.05Å; K16-Y97 HydrophobicContact CG-CD1 4.26Å; D19-Y97 HydrophobicContact CB-CD1 3.88Å; D19-Y97 HydrophobicContact CB-CE1 3.38Å; D19-Y97 VanDerWaalsContact OD2-CE1 3.26Å; D19-Y97 WeakPolarHBondContact OD2-CE1 3.45Å; L20-Y97 HydrophobicContact CD2-CD2 4.36Å; L20-Y97 HydrophobicContact CD2-CG 4.24Å; I23-Y97 HydrophobicContact CD1-CD2 4.09Å; I23-Y97 HydrophobicContact CD1-CE2 3.56Å; D93-Y97 WeakPolarHBondContact O-CD2 3.12Å; D93-Y97 WeakPolarHBondContact O-CE2 3.5Å; F94-Y97 PolarHBondContact O-N 2.69Å; Q95-Y97 PolarHBondContact O-N 2.8Å; Q95-Y97 VanDerWaalsContact O-N 3.15Å |
| 98 | Y | 94.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -84.4 | -21.1 | -178.4 | -77 | 7.9 | 0 | 0 | 0 | 113.9 | S6 V8 L12 V13 L20 F94 | S6-Y98 WeakPolarHBondContact CB-OH 3.39Å; S6-Y98 WeakPolarHBondContact OG-CE2 3.43Å; S6-Y98 PolarHBondContact OG-OH 3.25Å; V8-Y98 HydrophobicContact CG1-CD2 4.26Å; V8-Y98 HydrophobicContact CG1-CG 4.04Å; V8-Y98 HydrophobicContact CG2-CD1 3.89Å; V8-Y98 HydrophobicContact CG2-CD2 3.93Å; V8-Y98 HydrophobicContact CG2-CE1 3.79Å; V8-Y98 HydrophobicContact CG2-CE2 3.83Å; V8-Y98 HydrophobicContact CG2-CG 3.95Å; L12-Y98 HydrophobicContact CD2-CD1 3.75Å; L12-Y98 HydrophobicContact CD2-CE1 4.27Å; V13-Y98 HydrophobicContact CG2-CE1 4.03Å; L20-Y98 HydrophobicContact CD1-CE1 3.72Å; L20-Y98 HydrophobicContact CD2-CD1 4.33Å; L20-Y98 HydrophobicContact CD2-CE1 3.88Å; L20-Y98 HydrophobicContact CG-CE1 4.49Å; F94-Y98 HydrophobicContact CB-CD2 4.27Å; F94-Y98 HydrophobicContact CB-CG 4.46Å; F94-Y98 HydrophobicContact CD2-CD2 4.18Å; F94-Y98 HydrophobicContact CD2-CE1 4.17Å; F94-Y98 AromaticContact CD2-CE2 3.59Å; F94-Y98 HydrophobicContact CD2-CE2 3.59Å; F94-Y98 AromaticContact CD2-CZ 3.59Å; F94-Y98 HydrophobicContact CE2-CE2 4.3Å; F94-Y98 AromaticContact CE2-CZ 3.95Å; F94-Y98 PolarHBondContact O-N 3.5Å |
| 99 | G | 91.9 | Very high | 94 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | trans | 80.3 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q95 G101 G102 | Q95-G99 PolarHBondContact O-N 3.07Å; G99-G101 PolarHBondContact O-N 2.8Å; G99-G102 PolarHBondContact O-N 2.87Å | ||
| 100 | E | 90.2 | Very high | 93.4 | Very high | 205 Ų | 205 | 55.9 Ų | 55.9 | 96% | 0.958 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 119.7 | -172 | -64.9 | -173.1 | 174.5 | 0 | 0 | 112.8 | G102 | E100-G102 PolarHBondContact O-N 2.88Š|
| 101 | G | 89.3 | Confident | 92.1 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -1.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N7 G99 | N7-G101 PolarHBondContact ND2-O 3.31Å; G99-G101 PolarHBondContact O-N 2.8Å |
| 102 | G | 93.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -71.9 | 129.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N7 Q95 G99 E100 | N7-G102 VanDerWaalsContact OD1-CA 3.26Å; N7-G102 WeakPolarHBondContact OD1-CA 3.43Å; Q95-G102 PolarHBondContact NE2-O 3.35Å; G99-G102 PolarHBondContact O-N 2.87Å; E100-G102 PolarHBondContact O-N 2.88Å | ||
| 103 | R | 95.6 | Very high | 89.1 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | trans | -161.2 | 156.9 | -178.3 | 64.6 | -178.7 | -174.1 | -147.1 | 2.4 | 112.9 | S6 N7 N91 L105 | S6-R103 WeakPolarHBondContact CA-O 3.29Å; N7-R103 PolarHBondContact N-O 3.4Å; N7-R103 PolarHBondContact OD1-N 3.47Å; N7-R103 PolarHBondContact OD1-O 2.97Å; N91-R103 WeakPolarHBondContact OD1-CA 3.37Å; N91-R103 WeakPolarHBondContact OD1-CB 3.44Å; R103-L105 HydrophobicContact CG-CD2 4.37Å | ||
| 104 | I | 96.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 133.9 | 157.5 | -51.2 | 169.5 | 0 | 0 | 0 | 108.4 | I4 V5 L87 I90 N91 F94 I107 | I4-I104 HydrophobicContact CG2-CB 4.32Å; I4-I104 HydrophobicContact CG2-CD1 3.77Å; I4-I104 HydrophobicContact CG2-CG1 3.77Å; I4-I104 HydrophobicContact CG2-CG2 3.6Å; V5-I104 CarbonylContact O-C 3.17Å; V5-I104 WeakPolarHBondContact O-CA 3.35Å; V5-I104 WeakPolarHBondContact O-CG2 3.46Å; L87-I104 HydrophobicContact CD1-CB 3.79Å; L87-I104 HydrophobicContact CD1-CD1 4Å; L87-I104 HydrophobicContact CD1-CG2 3.6Å; I90-I104 HydrophobicContact CG2-CD1 3.58Å; N91-I104 PolarHBondContact ND2-O 3.16Å; N91-I104 WeakPolarHBondContact OD1-CB 3.16Å; N91-I104 PolarHBondContact OD1-N 3.1Å; F94-I104 HydrophobicContact CD2-CD1 3.99Å; F94-I104 HydrophobicContact CD2-CG1 4Å; F94-I104 HydrophobicContact CE2-CD1 3.74Å; F94-I104 HydrophobicContact CE2-CG1 4.03Å; F94-I104 HydrophobicContact CZ-CD1 4.46Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å |
| 105 | L | 94.5 | Very high | 85.5 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -45.3 | 179.1 | -64.2 | 177.2 | 0 | 0 | 0 | 112.3 | V5 N7 K58 R103 | V5-L105 PolarHBondContact O-N 2.76Å; N7-L105 HydrophobicContact CB-CD1 3.99Å; N7-L105 HydrophobicContact CB-CD2 4.06Å; N7-L105 HydrophobicContact CB-CG 4.05Å; K58-L105 HydrophobicContact CD-CD1 4.2Å; R103-L105 HydrophobicContact CG-CD2 4.37Å |
| 106 | E | 93.3 | Very high | 83.8 | Confident | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 160.6 | -174.3 | 61.1 | -174.3 | -175.2 | 0 | 0 | 109.4 | V5 R45 | V5-E106 HydrophobicContact CB-CG 3.61Å; V5-E106 WeakPolarHBondContact CB-O 3.38Å; V5-E106 HydrophobicContact CG1-CG 4.14Å; V5-E106 HydrophobicContact CG2-CG 3.6Å; V5-E106 PolarHBondContact N-O 3.01Å; R45-E106 IonicContact CZ-OE1 3.14Å; R45-E106 IonicContact NE-OE1 3.1Å; R45-E106 IonicContact NH2-OE1 2.68Å; R45-E106 PolarHBondContact NH2-OE1 3.19Å; R45-E106 IonicContact NH2-OE2 3.81Å |
| 107 | I | 94.4 | Very high | 81.9 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.5 | 168.4 | -54.8 | -178.8 | 0 | 0 | 0 | 107.4 | Q2 V3 I4 F80 L83 L87 I104 | Q2-I107 HydrophobicContact CB-CG2 4.07Å; V3-I107 CarbonylContact O-C 3.55Å; V3-I107 WeakPolarHBondContact O-CA 3.48Å; I4-I107 HydrophobicContact CG1-CG1 4.49Å; F80-I107 HydrophobicContact CD2-CB 4.02Å; F80-I107 HydrophobicContact CD2-CG2 3.92Å; F80-I107 HydrophobicContact CE2-CB 4.05Å; F80-I107 HydrophobicContact CE2-CG2 4.45Å; F80-I107 WeakPolarHBondContact CE2-O 3.26Å; L83-I107 HydrophobicContact CB-CD1 3.38Å; L83-I107 HydrophobicContact CD1-CD1 4.41Å; L87-I107 HydrophobicContact CD1-CD1 4.34Å; L87-I107 HydrophobicContact CD1-CG1 4.49Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å |
| 108 | R | 91.2 | Very high | 80.1 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147 | -171.9 | 69.8 | -175.6 | -169.2 | 87.6 | -4.7 | 112 | Q2 V3 V5 D60 | Q2-R108 VanDerWaalsContact OE1-C 3.3Å; Q2-R108 PolarHBondContact OE1-O 3.19Å; Q2-R108 VanDerWaalsContact OE1-O 3.12Å; V3-R108 WeakPolarHBondContact CA-O 3.1Å; V3-R108 HydrophobicContact CB-CG 3.83Å; V3-R108 WeakPolarHBondContact CB-O 3.49Å; V3-R108 HydrophobicContact CG1-CG 4.25Å; V3-R108 PolarHBondContact N-O 3.05Å; V3-R108 PolarHBondContact O-N 3.05Å; V5-R108 HydrophobicContact CG2-CG 3.83Å; D60-R108 IonicContact OD1-CZ 2.76Å; D60-R108 IonicContact OD1-NE 2.91Å; D60-R108 PolarHBondContact OD1-NE 3.27Å; D60-R108 VanDerWaalsContact OD1-NE 3.09Å; D60-R108 IonicContact OD1-NH2 2.64Å; D60-R108 PolarHBondContact OD1-NH2 3.13Å; D60-R108 IonicContact OD2-CZ 2.76Å; D60-R108 IonicContact OD2-NE 3.09Å; D60-R108 IonicContact OD2-NH2 2.64Å; D60-R108 PolarHBondContact OD2-NH2 3.21Å |
| 109 | T | 89.1 | Confident | 78 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | trans | -70.1 | 136.7 | 172.7 | -69.3 | 0 | 0 | 0 | 0 | 110.9 | Q2 V113 | Q2-T109 PolarHBondContact OE1-OG1 3.46Å; T109-V113 HydrophobicContact CG2-CB 4.15Å | ||
| 110 | P | 83.1 | Confident | 76.2 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 12% | 0.123 | 41% | 0.414 | C | S | . | . | trans | -63.5 | 143.1 | 179 | 23.2 | -33 | 0 | 0 | 0 | 112.9 | M1 V3 A112 V113 | M1-P110 HydrophobicContact CB-CG 4.22Å; V3-P110 HydrophobicContact CG2-CB 3.87Å; P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 3.33Å; P110-V113 HydrophobicContact CG-CG2 4.23Å; P110-V113 PolarHBondContact O-N 3.13Å; P110-V113 VanDerWaalsContact O-N 3.12Å | ||
| 111 | E | 69.7 | Low | 74.7 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | -173.1 | -172.9 | -160.7 | 165.1 | 0 | 0 | 113.7 | F51 V113 T114 S115 | F51-E111 HydrophobicContact CD2-CB 4.01Å; F51-E111 HydrophobicContact CD2-CG 3.8Å; E111-V113 PolarHBondContact O-N 3Å; E111-T114 PolarHBondContact O-N 3.49Å; E111-T114 PolarHBondContact O-OG1 3.26Å; E111-S115 PolarHBondContact O-N 3.21Å; E111-S115 PolarHBondContact O-OG 3.41Å |
| 112 | A | 65.1 | Low | 73.2 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -51.3 | -32.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P110 S115 I116 | P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 3.33Å; A112-S115 PolarHBondContact O-OG 3.35Å; A112-I116 WeakPolarHBondContact O-CB 3.44Å; A112-I116 VanDerWaalsContact O-CD1 3.29Å; A112-I116 WeakPolarHBondContact O-CD1 3.5Å; A112-I116 WeakPolarHBondContact O-CG1 3.26Å; A112-I116 PolarHBondContact O-N 3.25Å; A112-I116 VanDerWaalsContact O-N 3.1Å |
| 113 | V | 61.7 | Low | 71.7 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -82 | -26.9 | 179.3 | -164.9 | 0 | 0 | 0 | 0 | 112.3 | T109 P110 E111 K117 | T109-V113 HydrophobicContact CG2-CB 4.15Å; P110-V113 HydrophobicContact CG-CG2 4.23Å; P110-V113 PolarHBondContact O-N 3.13Å; P110-V113 VanDerWaalsContact O-N 3.12Å; E111-V113 PolarHBondContact O-N 3Å; V113-K117 PolarHBondContact O-N 3.38Å |
| 114 | T | 60.7 | Low | 70.7 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -80.3 | -33.3 | 174.2 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | E111 K117 K118 | E111-T114 PolarHBondContact O-N 3.49Å; E111-T114 PolarHBondContact O-OG1 3.26Å; T114-K117 PolarHBondContact O-N 2.81Å; T114-K118 PolarHBondContact O-N 3.24Å; T114-K118 VanDerWaalsContact O-N 3.13Å |
| 115 | S | 56 | Low | 69.7 | Low | 43 Ų | 43 | 87.8 Ų | 87.8 | 30% | 0.301 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.8 | -32.7 | 173.1 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | E111 A112 K117 K118 R119 | E111-S115 PolarHBondContact O-N 3.21Å; E111-S115 PolarHBondContact O-OG 3.41Å; A112-S115 PolarHBondContact O-OG 3.35Å; S115-K117 VanDerWaalsContact C-N 3.33Å; S115-K117 PolarHBondContact O-N 3.3Å; S115-K118 PolarHBondContact O-N 2.77Å; S115-R119 PolarHBondContact O-N 3.39Å |
| 116 | I | 58.4 | Low | 69 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 59% | 0.585 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.8 | -43.6 | 167.3 | -75.2 | 164.2 | 0 | 0 | 0 | 110.9 | A112 K118 R119 G120 | A112-I116 WeakPolarHBondContact O-CB 3.44Å; A112-I116 VanDerWaalsContact O-CD1 3.29Å; A112-I116 WeakPolarHBondContact O-CD1 3.5Å; A112-I116 WeakPolarHBondContact O-CG1 3.26Å; A112-I116 PolarHBondContact O-N 3.25Å; A112-I116 VanDerWaalsContact O-N 3.1Å; I116-K118 PolarHBondContact O-N 3.28Å; I116-R119 PolarHBondContact O-N 3.44Å; I116-R119 VanDerWaalsContact O-N 3.13Å; I116-G120 PolarHBondContact O-N 3.41Å |
| 117 | K | 55.8 | Low | 68.5 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.8 | 178.5 | 168.5 | 173.3 | 149 | 0 | 111.5 | V113 T114 S115 R119 G120 E121 | V113-K117 PolarHBondContact O-N 3.38Å; T114-K117 PolarHBondContact O-N 2.81Å; S115-K117 VanDerWaalsContact C-N 3.33Å; S115-K117 PolarHBondContact O-N 3.3Å; K117-R119 PolarHBondContact O-N 2.65Å; K117-G120 PolarHBondContact O-N 2.96Å; K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 WeakPolarHBondContact CE-OE2 2.85Å; K117-E121 IonicContact NZ-OE1 2.86Å; K117-E121 PolarHBondContact NZ-OE1 2.86Å; K117-E121 IonicContact NZ-OE2 3.34Å; K117-E121 PolarHBondContact NZ-OE2 3.29Å |
| 118 | K | 56.7 | Low | 68.1 | Low | 169 Ų | 169 | 91.7 Ų | 91.7 | 74% | 0.735 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -26.2 | 176.5 | -72.1 | -173.7 | 175.3 | -175.4 | 0 | 113.9 | T114 S115 I116 | T114-K118 PolarHBondContact O-N 3.24Å; T114-K118 VanDerWaalsContact O-N 3.13Å; S115-K118 PolarHBondContact O-N 2.77Å; I116-K118 PolarHBondContact O-N 3.28Å |
| 119 | R | 51.4 | Low | 68 | Low | 213 Ų | 213 | 92.3 Ų | 92.3 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -80.9 | -12.8 | 174.5 | -71.8 | -175.9 | 179.9 | -134.8 | 1.1 | 114.6 | S115 I116 K117 | S115-R119 PolarHBondContact O-N 3.39Å; I116-R119 PolarHBondContact O-N 3.44Å; I116-R119 VanDerWaalsContact O-N 3.13Å; K117-R119 PolarHBondContact O-N 2.65Å |
| 120 | G | 54.1 | Low | 68.1 | Low | 67 Ų | 67 | 96 Ų | 96 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -96 | -15.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | I116 K117 | I116-G120 PolarHBondContact O-N 3.41Å; K117-G120 PolarHBondContact O-N 2.96Å |
| 121 | E | 58.3 | Low | 68.5 | Low | 128 Ų | 128 | 100.5 Ų | 100.5 | 60% | 0.598 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -119.5 | 2.2 | -168.2 | -68 | 176.6 | 170.2 | 0 | 0 | 113.9 | K117 L123 | K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 WeakPolarHBondContact CE-OE2 2.85Å; K117-E121 IonicContact NZ-OE1 2.86Å; K117-E121 PolarHBondContact NZ-OE1 2.86Å; K117-E121 IonicContact NZ-OE2 3.34Å; K117-E121 PolarHBondContact NZ-OE2 3.29Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 2.9Å |
| 122 | S | 57.5 | Low | 69.5 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | trans | -82.1 | 73 | 173.8 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | G124 | S122-G124 PolarHBondContact O-N 2.94Å; S122-G124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | L | 63.1 | Low | 70.9 | Confident | 128 Ų | 128 | 101 Ų | 101 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | trans | -51.8 | 117.9 | 158 | -87.3 | 158.8 | 0 | 0 | 0 | 107.8 | E121 E127 | E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 2.9Å; L123-E127 WeakPolarHBondContact CA-OE2 2.99Å; L123-E127 HydrophobicContact CD2-CB 4.24Å | ||
| 124 | G | 73.3 | Confident | 72.5 | Confident | 23 Ų | 23 | 100.6 Ų | 100.6 | 24% | 0.237 | 55% | 0.548 | C | S | . | . | trans | -63.3 | 148.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S122 T126 E127 G128 | S122-G124 PolarHBondContact O-N 2.94Å; S122-G124 VanDerWaalsContact O-N 3.15Å; G124-T126 PolarHBondContact O-N 2.93Å; G124-E127 PolarHBondContact N-OE2 3.41Å; G124-E127 WeakPolarHBondContact O-CA 3.17Å; G124-E127 WeakPolarHBondContact O-CB 3.24Å; G124-E127 PolarHBondContact O-N 3.25Å; G124-G128 PolarHBondContact O-N 3.07Å | ||
| 125 | Y | 75.6 | Confident | 74.1 | Confident | 228 Ų | 228 | 103.7 Ų | 103.7 | 89% | 0.894 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -55.1 | -27.8 | 172.1 | -71.6 | -74.7 | 0 | 0 | 0 | 112.2 | A129 | Y125-A129 VanDerWaalsContact O-CB 3.26Å; Y125-A129 WeakPolarHBondContact O-CB 3.47Å; Y125-A129 PolarHBondContact O-N 3.15Å |
| 126 | T | 79.8 | Confident | 76 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -44.7 | 170.1 | 44.7 | 0 | 0 | 0 | 0 | 113.5 | G124 A129 L130 | G124-T126 PolarHBondContact O-N 2.93Å; T126-A129 PolarHBondContact O-N 2.89Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3Å; T126-L130 VanDerWaalsContact O-N 3.09Å |
| 127 | E | 83.5 | Confident | 77.8 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.5 | -42.2 | 177.2 | -59.4 | 176.1 | 138.8 | 0 | 0 | 110.6 | L123 G124 A129 L130 L131 | L123-E127 WeakPolarHBondContact CA-OE2 2.99Å; L123-E127 HydrophobicContact CD2-CB 4.24Å; G124-E127 PolarHBondContact N-OE2 3.41Å; G124-E127 WeakPolarHBondContact O-CA 3.17Å; G124-E127 WeakPolarHBondContact O-CB 3.24Å; G124-E127 PolarHBondContact O-N 3.25Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.95Å; E127-L130 PolarHBondContact O-N 2.89Å; E127-L131 WeakPolarHBondContact O-CG 3.48Å; E127-L131 PolarHBondContact O-N 3.09Å |
| 128 | G | 85 | Confident | 79.7 | Confident | 35 Ų | 35 | 104.3 Ų | 104.3 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -39.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G124 L131 A132 | G124-G128 PolarHBondContact O-N 3.07Å; G128-L131 PolarHBondContact O-N 3.38Å; G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.25Å; G128-A132 PolarHBondContact O-N 3.34Å |
| 129 | A | 90.2 | Very high | 81.6 | Confident | 49 Ų | 49 | 100.7 Ų | 100.7 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y125 T126 E127 A132 L133 | Y125-A129 VanDerWaalsContact O-CB 3.26Å; Y125-A129 WeakPolarHBondContact O-CB 3.47Å; Y125-A129 PolarHBondContact O-N 3.15Å; T126-A129 PolarHBondContact O-N 2.89Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.95Å; A129-A132 PolarHBondContact O-N 3.4Å; A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 WeakPolarHBondContact O-CG 3.34Å; A129-L133 PolarHBondContact O-N 2.89Å |
| 130 | L | 91.6 | Very high | 83.6 | Confident | 122 Ų | 122 | 94.4 Ų | 94.4 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 174.7 | -69.6 | 172.6 | 0 | 0 | 0 | 111.9 | T126 E127 L133 A134 | T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3Å; T126-L130 VanDerWaalsContact O-N 3.09Å; E127-L130 PolarHBondContact O-N 2.89Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-A134 WeakPolarHBondContact O-CB 3.3Å; L130-A134 PolarHBondContact O-N 3.34Å |
| 131 | L | 90.8 | Very high | 85.5 | Confident | 112 Ų | 112 | 94.1 Ų | 94.1 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 174.2 | -69.8 | 171.8 | 0 | 0 | 0 | 111.9 | E127 G128 A134 F135 | E127-L131 WeakPolarHBondContact O-CG 3.48Å; E127-L131 PolarHBondContact O-N 3.09Å; G128-L131 PolarHBondContact O-N 3.38Å; L131-A134 PolarHBondContact O-N 2.86Å; L131-F135 WeakPolarHBondContact O-CB 3.18Å; L131-F135 PolarHBondContact O-N 2.97Å |
| 132 | A | 91.4 | Very high | 87.2 | Confident | 49 Ų | 49 | 92.4 Ų | 92.4 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G128 A129 F135 I136 | G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.25Å; G128-A132 PolarHBondContact O-N 3.34Å; A129-A132 PolarHBondContact O-N 3.4Å; A132-F135 PolarHBondContact O-N 3.06Å; A132-I136 WeakPolarHBondContact O-CD1 3.25Å; A132-I136 VanDerWaalsContact O-CG1 3.25Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 2.92Å |
| 133 | L | 93.8 | Very high | 89 | Confident | 101 Ų | 101 | 91.1 Ų | 91.1 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175 | -74.5 | 171.9 | 0 | 0 | 0 | 111.9 | A129 L130 F135 I136 I137 | A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 WeakPolarHBondContact O-CG 3.34Å; A129-L133 PolarHBondContact O-N 2.89Å; L130-L133 PolarHBondContact O-N 2.86Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 2.82Å; L133-I136 PolarHBondContact O-N 3.15Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 3.04Å |
| 134 | A | 94.8 | Very high | 90.5 | Very high | 46 Ų | 46 | 87.6 Ų | 87.6 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L130 L131 I137 I138 | L130-A134 WeakPolarHBondContact O-CB 3.3Å; L130-A134 PolarHBondContact O-N 3.34Å; L131-A134 PolarHBondContact O-N 2.86Å; A134-I137 PolarHBondContact O-N 2.71Å; A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.47Å; A134-I138 PolarHBondContact O-N 2.91Å |
| 135 | F | 95.7 | Very high | 91.4 | Very high | 131 Ų | 131 | 91.9 Ų | 91.9 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 177.6 | -164.1 | -111.1 | 0 | 0 | 0 | 112.6 | L131 A132 L133 I138 L139 | L131-F135 WeakPolarHBondContact O-CB 3.18Å; L131-F135 PolarHBondContact O-N 2.97Å; A132-F135 PolarHBondContact O-N 3.06Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 2.82Å; F135-I138 PolarHBondContact O-N 2.91Å; F135-L139 HydrophobicContact CD1-CD1 3.71Å; F135-L139 HydrophobicContact CD1-CG 4.26Å; F135-L139 HydrophobicContact CE1-CD1 3.55Å; F135-L139 HydrophobicContact CE1-CG 4.1Å; F135-L139 HydrophobicContact CZ-CD1 4.33Å; F135-L139 HydrophobicContact CZ-CG 4.46Å; F135-L139 WeakPolarHBondContact O-CB 3.47Å; F135-L139 WeakPolarHBondContact O-CG 3.38Å; F135-L139 PolarHBondContact O-N 3.02Å |
| 136 | I | 96.1 | Very high | 92.2 | Very high | 94 Ų | 94 | 85.5 Ų | 85.5 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 173.5 | -70.6 | 162.7 | 0 | 0 | 0 | 110.7 | A132 L133 I138 L139 C140 | A132-I136 WeakPolarHBondContact O-CD1 3.25Å; A132-I136 VanDerWaalsContact O-CG1 3.25Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 2.92Å; L133-I136 PolarHBondContact O-N 3.15Å; I136-I138 PolarHBondContact O-N 2.61Å; I136-L139 PolarHBondContact O-N 3.1Å; I136-C140 PolarHBondContact O-N 2.79Å; I136-C140 PolarHBondContact O-SG 3.44Å; I136-C140 VanDerWaalsContact O-SG 3.4Å |
| 137 | I | 95.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 85 Ų | 85 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 177.2 | -69.3 | 163.2 | 0 | 0 | 0 | 110.4 | L133 A134 L139 C140 C141 | L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 3.04Å; A134-I137 PolarHBondContact O-N 2.71Å; I137-L139 PolarHBondContact O-N 2.91Å; I137-C140 PolarHBondContact O-N 3.41Å; I137-C141 WeakPolarHBondContact O-CB 3.3Å; I137-C141 PolarHBondContact O-N 3.23Å; I137-C141 PolarHBondContact O-SG 3.25Å |
| 138 | I | 95.2 | Very high | 93.3 | Very high | 94 Ų | 94 | 85 Ų | 85 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 177.5 | -67.9 | 163.8 | 0 | 0 | 0 | 111.2 | A134 F135 I136 C140 C141 I142 | A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.47Å; A134-I138 PolarHBondContact O-N 2.91Å; F135-I138 PolarHBondContact O-N 2.91Å; I136-I138 PolarHBondContact O-N 2.61Å; I138-C140 VanDerWaalsContact C-N 3.29Å; I138-C140 PolarHBondContact O-N 2.91Å; I138-C141 PolarHBondContact O-N 2.97Å; I138-I142 HydrophobicContact CG2-CD1 3.89Å; I138-I142 HydrophobicContact CG2-CG1 4.5Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 3.24Å |
| 139 | L | 96.2 | Very high | 93.6 | Very high | 93 Ų | 93 | 87.9 Ų | 87.9 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -30.4 | 177.1 | -77.1 | 177.3 | 0 | 0 | 0 | 113.6 | F135 I136 I137 P143 | F135-L139 HydrophobicContact CD1-CD1 3.71Å; F135-L139 HydrophobicContact CD1-CG 4.26Å; F135-L139 HydrophobicContact CE1-CD1 3.55Å; F135-L139 HydrophobicContact CE1-CG 4.1Å; F135-L139 HydrophobicContact CZ-CD1 4.33Å; F135-L139 HydrophobicContact CZ-CG 4.46Å; F135-L139 WeakPolarHBondContact O-CB 3.47Å; F135-L139 WeakPolarHBondContact O-CG 3.38Å; F135-L139 PolarHBondContact O-N 3.02Å; I136-L139 PolarHBondContact O-N 3.1Å; I137-L139 PolarHBondContact O-N 2.91Å; L139-P143 WeakPolarHBondContact O-CD 3.47Å; L139-P143 WeakPolarHBondContact O-CG 3.37Å |
| 140 | C | 94.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 89.3 Ų | 89.3 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -80.3 | -35.2 | 173 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | I136 I137 I138 P143 A144 | I136-C140 PolarHBondContact O-N 2.79Å; I136-C140 PolarHBondContact O-SG 3.44Å; I136-C140 VanDerWaalsContact O-SG 3.4Å; I137-C140 PolarHBondContact O-N 3.41Å; I138-C140 VanDerWaalsContact C-N 3.29Å; I138-C140 PolarHBondContact O-N 2.91Å; C140-P143 WeakPolarHBondContact O-CD 3.42Å; C140-P143 WeakPolarHBondContact O-CG 2.94Å; C140-A144 WeakPolarHBondContact O-CB 3.42Å; C140-A144 PolarHBondContact O-N 3.38Å |
| 141 | C | 94.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 85.9 Ų | 85.9 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 180 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | I137 I138 A144 I145 | I137-C141 WeakPolarHBondContact O-CB 3.3Å; I137-C141 PolarHBondContact O-N 3.23Å; I137-C141 PolarHBondContact O-SG 3.25Å; I138-C141 PolarHBondContact O-N 2.97Å; C141-A144 PolarHBondContact O-N 2.97Å; C141-I145 HydrophobicContact CB-CD1 4.4Å; C141-I145 WeakPolarHBondContact O-CB 3.3Å; C141-I145 WeakPolarHBondContact O-CD1 3.43Å; C141-I145 VanDerWaalsContact O-CG1 3.23Å; C141-I145 WeakPolarHBondContact O-CG1 3.5Å; C141-I145 PolarHBondContact O-N 3.44Å |
| 142 | I | 94.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 89.3 Ų | 89.3 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.4 | -56.5 | 179.3 | -69.2 | 162.6 | 0 | 0 | 0 | 112.7 | I138 A144 I145 L146 | I138-I142 HydrophobicContact CG2-CD1 3.89Å; I138-I142 HydrophobicContact CG2-CG1 4.5Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 3.24Å; I142-A144 PolarHBondContact O-N 3.41Å; I142-I145 PolarHBondContact O-N 3.44Å; I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 2.89Å |
| 143 | P | 93.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 93.9 Ų | 93.9 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 178.2 | 26.6 | -33.9 | 0 | 0 | 0 | 112.6 | L139 C140 L146 V147 | L139-P143 WeakPolarHBondContact O-CD 3.47Å; L139-P143 WeakPolarHBondContact O-CG 3.37Å; C140-P143 WeakPolarHBondContact O-CD 3.42Å; C140-P143 WeakPolarHBondContact O-CG 2.94Å; P143-L146 PolarHBondContact O-N 3.44Å; P143-V147 WeakPolarHBondContact O-CG2 3.35Å; P143-V147 PolarHBondContact O-N 2.86Å |
| 144 | A | 94.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 95.4 Ų | 95.4 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C140 C141 I142 V147 V148 | C140-A144 WeakPolarHBondContact O-CB 3.42Å; C140-A144 PolarHBondContact O-N 3.38Å; C141-A144 PolarHBondContact O-N 2.97Å; I142-A144 PolarHBondContact O-N 3.41Å; A144-V147 PolarHBondContact O-N 2.93Å; A144-V148 WeakPolarHBondContact O-CG2 3.38Å; A144-V148 PolarHBondContact O-N 3.33Å |
| 145 | I | 93.6 | Very high | 90.7 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 175.1 | -68.6 | 163.7 | 0 | 0 | 0 | 110.7 | C141 I142 V148 L149 | C141-I145 HydrophobicContact CB-CD1 4.4Å; C141-I145 WeakPolarHBondContact O-CB 3.3Å; C141-I145 WeakPolarHBondContact O-CD1 3.43Å; C141-I145 VanDerWaalsContact O-CG1 3.23Å; C141-I145 WeakPolarHBondContact O-CG1 3.5Å; C141-I145 PolarHBondContact O-N 3.44Å; I142-I145 PolarHBondContact O-N 3.44Å; I145-V148 PolarHBondContact O-N 2.97Å; I145-L149 VanDerWaalsContact O-CB 3.29Å; I145-L149 WeakPolarHBondContact O-CB 3.39Å; I145-L149 PolarHBondContact O-N 3.36Å |
| 146 | L | 92.8 | Very high | 89 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.1 | -70.9 | 172 | 0 | 0 | 0 | 112.3 | I142 P143 L149 V150 | I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 2.89Å; P143-L146 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 3.03Å; L146-V150 WeakPolarHBondContact O-CB 3.36Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.23Å; L146-V150 PolarHBondContact O-N 3.47Å |
| 147 | V | 91.8 | Very high | 87.1 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 176 | 169 | 0 | 0 | 0 | 0 | 111.4 | P143 A144 S151 | P143-V147 WeakPolarHBondContact O-CG2 3.35Å; P143-V147 PolarHBondContact O-N 2.86Å; A144-V147 PolarHBondContact O-N 2.93Å; V147-S151 VanDerWaalsContact O-CB 3.27Å; V147-S151 WeakPolarHBondContact O-CB 3.42Å; V147-S151 PolarHBondContact O-N 3.27Å; V147-S151 PolarHBondContact O-OG 3.27Å |
| 148 | V | 93.7 | Very high | 85.1 | Confident | 101 Ų | 101 | 97.8 Ų | 97.8 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | A144 I145 S151 Y152 | A144-V148 WeakPolarHBondContact O-CG2 3.38Å; A144-V148 PolarHBondContact O-N 3.33Å; I145-V148 PolarHBondContact O-N 2.97Å; V148-S151 PolarHBondContact O-N 3.4Å; V148-Y152 WeakPolarHBondContact O-CB 3.39Å; V148-Y152 PolarHBondContact O-N 3.45Å |
| 149 | L | 91.3 | Very high | 83.1 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 178.2 | -179 | 62.9 | 0 | 0 | 0 | 112 | I145 L146 Y152 R153 | I145-L149 VanDerWaalsContact O-CB 3.29Å; I145-L149 WeakPolarHBondContact O-CB 3.39Å; I145-L149 PolarHBondContact O-N 3.36Å; L146-L149 PolarHBondContact O-N 3.03Å; L149-Y152 PolarHBondContact O-N 2.84Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-N 2.91Å |
| 150 | V | 92.3 | Very high | 80.9 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | L146 Y152 R153 Q154 | L146-V150 WeakPolarHBondContact O-CB 3.36Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.23Å; L146-V150 PolarHBondContact O-N 3.47Å; V150-Y152 VanDerWaalsContact C-N 3.32Å; V150-Y152 PolarHBondContact O-N 3.4Å; V150-R153 PolarHBondContact O-N 3.37Å; V150-Q154 HydrophobicContact CG1-CG 4.37Å; V150-Q154 WeakPolarHBondContact O-CB 3.27Å; V150-Q154 WeakPolarHBondContact O-CG 3.36Å; V150-Q154 PolarHBondContact O-N 2.92Å |
| 151 | S | 87.9 | Confident | 78.6 | Confident | 50 Ų | 50 | 102.9 Ų | 102.9 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | V147 V148 R155 | V147-S151 VanDerWaalsContact O-CB 3.27Å; V147-S151 WeakPolarHBondContact O-CB 3.42Å; V147-S151 PolarHBondContact O-N 3.27Å; V147-S151 PolarHBondContact O-OG 3.27Å; V148-S151 PolarHBondContact O-N 3.4Å; S151-R155 VanDerWaalsContact O-CB 3.32Å; S151-R155 WeakPolarHBondContact O-CB 3.29Å; S151-R155 PolarHBondContact O-N 3.37Å |
| 152 | Y | 86.9 | Confident | 76.3 | Confident | 185 Ų | 185 | 108 Ų | 108 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.6 | -44.8 | 176.5 | -169.7 | -94.1 | 0 | 0 | 0 | 111.5 | V148 L149 V150 R155 G156 | V148-Y152 WeakPolarHBondContact O-CB 3.39Å; V148-Y152 PolarHBondContact O-N 3.45Å; L149-Y152 PolarHBondContact O-N 2.84Å; V150-Y152 VanDerWaalsContact C-N 3.32Å; V150-Y152 PolarHBondContact O-N 3.4Å; Y152-R155 PolarHBondContact O-N 3.06Å; Y152-G156 PolarHBondContact O-N 3.27Å |
| 153 | R | 81.7 | Confident | 74.1 | Confident | 145 Ų | 145 | 111.8 Ų | 111.8 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.1 | -45.2 | 175.9 | -65.5 | -148.2 | 73.4 | 142.1 | 2.1 | 112.2 | L149 V150 R155 G156 Y157 | L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-N 2.91Å; V150-R153 PolarHBondContact O-N 3.37Å; R153-R155 VanDerWaalsContact C-N 3.32Å; R153-R155 PolarHBondContact O-N 3.23Å; R153-G156 PolarHBondContact O-N 3.21Å; R153-Y157 HydrophobicContact CB-CE2 4.48Å; R153-Y157 PolarHBondContact NH2-OH 3.29Å; R153-Y157 VanDerWaalsContact NH2-OH 3.11Å; R153-Y157 WeakPolarHBondContact O-CD2 3.45Å; R153-Y157 PolarHBondContact O-N 3.43Å; R153-Y157 VanDerWaalsContact O-N 3.12Å |
| 154 | Q | 74.5 | Confident | 72 | Confident | 133 Ų | 133 | 116 Ų | 116 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.9 | -43.3 | 176.1 | -74.1 | 176.8 | -1.5 | 0 | 0 | 111.8 | V150 G156 Y157 G158 | V150-Q154 HydrophobicContact CG1-CG 4.37Å; V150-Q154 WeakPolarHBondContact O-CB 3.27Å; V150-Q154 WeakPolarHBondContact O-CG 3.36Å; V150-Q154 PolarHBondContact O-N 2.92Å; Q154-G156 VanDerWaalsContact C-N 3.34Å; Q154-G156 PolarHBondContact O-N 3.22Å; Q154-Y157 PolarHBondContact O-N 3.4Å; Q154-G158 PolarHBondContact O-N 2.96Å |
| 155 | R | 69.4 | Low | 69.9 | Low | 199 Ų | 199 | 120.7 Ų | 120.7 | 75% | 0.751 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -35 | 178 | -164.3 | 172.1 | -66.8 | 175 | -0.1 | 112.5 | S151 Y152 R153 G158 | S151-R155 VanDerWaalsContact O-CB 3.32Å; S151-R155 WeakPolarHBondContact O-CB 3.29Å; S151-R155 PolarHBondContact O-N 3.37Å; Y152-R155 PolarHBondContact O-N 3.06Å; R153-R155 VanDerWaalsContact C-N 3.32Å; R153-R155 PolarHBondContact O-N 3.23Å; R155-G158 PolarHBondContact O-N 3.3Å |
| 156 | G | 58.8 | Low | 67.9 | Low | 42 Ų | 42 | 126.3 Ų | 126.3 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y152 R153 Q154 S159 | Y152-G156 PolarHBondContact O-N 3.27Å; R153-G156 PolarHBondContact O-N 3.21Å; Q154-G156 VanDerWaalsContact C-N 3.34Å; Q154-G156 PolarHBondContact O-N 3.22Å; G156-S159 PolarHBondContact O-OG 3.04Å |
| 157 | Y | 56.7 | Low | 65.4 | Low | 144 Ų | 144 | 127.7 Ų | 127.7 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.2 | -27.5 | 173.6 | -69.1 | -63.6 | 0 | 0 | 0 | 113.1 | R153 Q154 S159 | R153-Y157 HydrophobicContact CB-CE2 4.48Å; R153-Y157 PolarHBondContact NH2-OH 3.29Å; R153-Y157 VanDerWaalsContact NH2-OH 3.11Å; R153-Y157 WeakPolarHBondContact O-CD2 3.45Å; R153-Y157 PolarHBondContact O-N 3.43Å; R153-Y157 VanDerWaalsContact O-N 3.12Å; Q154-Y157 PolarHBondContact O-N 3.4Å; Y157-S159 VanDerWaalsContact C-N 3.35Å; Y157-S159 PolarHBondContact O-N 2.89Å |
| 158 | G | 53.8 | Low | 62.9 | Low | 41 Ų | 41 | 128.5 Ų | 128.5 | 42% | 0.423 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.1 | -28.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q154 R155 | Q154-G158 PolarHBondContact O-N 2.96Å; R155-G158 PolarHBondContact O-N 3.3Å |
| 159 | S | 52.2 | Low | 60.2 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 49% | 0.49 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.8 | -28.3 | -177.4 | 34.3 | 0 | 0 | 0 | 0 | 114.8 | G156 Y157 | G156-S159 PolarHBondContact O-OG 3.04Å; Y157-S159 VanDerWaalsContact C-N 3.35Å; Y157-S159 PolarHBondContact O-N 2.89Å |
| 160 | E | 51.2 | Low | 57.4 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.3 | -33.9 | -175.7 | -62.2 | -165.5 | 132.5 | 0 | 0 | 112.7 | Q162 | E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 2.86Å |
| 161 | Q | 46.3 | Very low | 54.6 | Low | 156 Ų | 156 | 139 Ų | 139 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.5 | -24.6 | -179.6 | -72.9 | -168.1 | -30.5 | 0 | 0 | 113.9 | Q163 | Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 3.38Å |
| 162 | Q | 46 | Very low | 52.4 | Low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -12.5 | -178 | -73.9 | -167 | -23.7 | 0 | 0 | 114.7 | E160 | E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 2.86Å |
| 163 | Q | 47.1 | Very low | 49.7 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -16.3 | 176.8 | -64.9 | -163 | 9.9 | 0 | 0 | 114.1 | Q161 | Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 3.38Å |
| 164 | L | 49.3 | Very low | 47.4 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -91.1 | -1.7 | -172.9 | -102.7 | 164.5 | 0 | 0 | 0 | 115.3 | ||
| 165 | L | 50.6 | Low | 45.4 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -121.2 | 71.4 | -178.3 | -78.9 | 163.3 | 0 | 0 | 0 | 111.9 | P167 | L165-P167 WeakPolarHBondContact O-CD 3.35Š| ||
| 166 | R | 51.4 | Low | 43.6 | Very low | 231 Ų | 231 | 138.5 Ų | 138.5 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -101.6 | 105.7 | 162.7 | -86.9 | -172.7 | 171 | 179.5 | -1 | 110.9 | S168 | R166-S168 PolarHBondContact O-N 3.47Š| ||
| 167 | P | 39.9 | Very low | 42.4 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -72.5 | 118.4 | 154.5 | -6.8 | 24.3 | 0 | 0 | 0 | 108.5 | L165 | L165-P167 WeakPolarHBondContact O-CD 3.35Š| ||
| 168 | S | 40.4 | Very low | 41.3 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -74.5 | 140.3 | 171.4 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | R166 | R166-S168 PolarHBondContact O-N 3.47Š| ||
| 169 | L | 36.7 | Very low | 40.3 | Very low | 156 Ų | 156 | 149 Ų | 149 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -174 | 136.7 | 138.1 | -100.4 | 164.1 | 0 | 0 | 0 | 112.5 | ||||
| 170 | L | 32 | Very low | 39.3 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 53.1 | 102 | 156 | -65.4 | 165.9 | 0 | 0 | 0 | 121.4 | ||||
| 171 | K | 33.4 | Very low | 38.4 | Very low | 178 Ų | 178 | 150 Ų | 150 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -86.3 | 173.8 | 132.7 | -131.6 | -159.9 | 173.2 | -157.5 | 0 | 107.9 | ||||
| 172 | P | 43 | Very low | 38.1 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | cis | -126 | 176.7 | -21.8 | 40.8 | -27.3 | 0 | 0 | 0 | 113 | ||||
| 173 | E | 29.2 | Very low | 38.2 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -146.2 | 141.9 | 145.5 | -165.5 | 156 | -161.7 | 0 | 0 | 109.3 | ||||
| 174 | E | 33.7 | Very low | 37.6 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -128.2 | 117 | -171.8 | -66.7 | -174.6 | 178.9 | 0 | 0 | 111.6 | ||||
| 175 | L | 33.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 101.1 | 155.1 | -73.2 | 177.7 | 0 | 0 | 0 | 106.3 | ||||
| 176 | S | 31.5 | Very low | 35.9 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | 72.3 | 90.1 | 66.7 | 81.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 177 | M | 32.2 | Very low | 35.1 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -164.6 | 131.8 | 135.2 | -108.4 | 166.5 | -168.4 | 0 | 0 | 111.9 | ||||
| 178 | E | 33.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 54.9 | 85.9 | 132.8 | -134 | 56.6 | -125.2 | 0 | 0 | 117.8 | ||||
| 179 | S | 33.5 | Very low | 34.6 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 87 | 117.1 | 78.3 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 180 | G | 31.4 | Very low | 34.3 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 170.9 | 85.6 | -174 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 181 | I | 31.4 | Very low | 34.4 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 124.5 | -167.8 | -67 | 170.9 | 0 | 0 | 0 | 111.2 | ||||
| 182 | D | 40.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -81.6 | 155 | 162.6 | -179.2 | 55.5 | 0 | 0 | 0 | 110.4 | G184 | D182-G184 PolarHBondContact OD2-N 3.28Š| ||
| 183 | P | 46.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | -152 | 124.8 | 114.8 | 34.2 | -15 | 0 | 0 | 0 | 117.5 | |||||
| 184 | G | 34.3 | Very low | 34.2 | Very low | 60 Ų | 60 | 145.5 Ų | 145.5 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | trans | 73.1 | 175.5 | 137 | 0 | 0 | 0 | 0 | 0 | 118.9 | D182 | D182-G184 PolarHBondContact OD2-N 3.28Š| ||
| 185 | Q | 34.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -138.1 | 140.8 | -1 | -91.4 | -165.7 | -51 | 0 | 0 | 108.6 | ||||
| 186 | E | 30.9 | Very low | 34.7 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 89.3 | 156.5 | 72.7 | -150.8 | 170.4 | -171 | 0 | 0 | 113.8 | |||||
| 187 | Y | 34.4 | Very low | 34.7 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 91% | 0.91 | 77% | 0.774 | S | S | * | * | trans | -81.8 | 157.4 | -154.4 | -71.4 | -103.5 | 0 | 0 | 0 | 116.9 | ||||
| 188 | G | 35.2 | Very low | 35.1 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 158.5 | 85.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 189 | Q | 34 | Very low | 35.3 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | 73.8 | 108 | 90.6 | -82.2 | -161.1 | -80.1 | 0 | 0 | 117.6 | |||||
| 190 | D | 31.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | 83.5 | 160.9 | 134.3 | -51.2 | -19.9 | 0 | 0 | 0 | 122.4 | ||||
| 191 | Y | 33.7 | Very low | 36.7 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 87.1 | 95.2 | 170.5 | -82.8 | -101.5 | 0 | 0 | 0 | 122 | ||||
| 192 | Y | 35.1 | Very low | 37.1 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 73.3 | 110.5 | 137.8 | -85.1 | -108.5 | 0 | 0 | 0 | 122.6 | ||||
| 193 | S | 31.7 | Very low | 36.8 | Very low | 95 Ų | 95 | 161.2 Ų | 161.2 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | 57.3 | 113.1 | 117.4 | -176.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 194 | Y | 34.4 | Very low | 36.2 | Very low | 224 Ų | 224 | 159.2 Ų | 159.2 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -143.4 | 146.9 | 139.2 | -118.1 | -81.9 | 0 | 0 | 0 | 112 | ||||
| 195 | E | 38.9 | Very low | 36.3 | Very low | 170 Ų | 170 | 161.3 Ų | 161.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 143.7 | 179.6 | -58.2 | 176.2 | 118.3 | 0 | 0 | 111.9 | ||||
| 196 | H | 38.3 | Very low | 36.5 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -126.3 | 94.5 | 162.6 | -81.9 | 8.6 | 0 | 0 | 0 | 109.3 | ||||
| 197 | G | 32.9 | Very low | 36.9 | Very low | 78 Ų | 78 | 166.1 Ų | 166.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 198 | Y | 40.4 | Very low | 37.2 | Very low | 230 Ų | 230 | 167 Ų | 167 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91 | 129.3 | 173.7 | -92.8 | -99.2 | 0 | 0 | 0 | 111.2 | ||
| 199 | E | 38.1 | Very low | 37.4 | Very low | 189 Ų | 189 | 171.6 Ų | 171.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.1 | -175.8 | -169.4 | 174.1 | -175.3 | 0 | 0 | 112 | ||
| 200 | M | 45.4 | Very low | 37.5 | Very low | 165 Ų | 165 | 171.7 Ų | 171.7 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -94 | 121.5 | -177.4 | -176.1 | 83.1 | 81.4 | 0 | 0 | 111.2 | Q202 | M200-Q202 PolarHBondContact O-N 2.73Š|
| 201 | P | 49 | Very low | 37.8 | Very low | 121 Ų | 121 | 171 Ų | 171 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.6 | 176.8 | -22.7 | 34.2 | 0 | 0 | 0 | 112.8 | ||
| 202 | Q | 38.3 | Very low | 38.5 | Very low | 195 Ų | 195 | 167.4 Ų | 167.4 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 152 | 179 | -68 | -170.1 | 0.8 | 0 | 0 | 113.5 | M200 | M200-Q202 PolarHBondContact O-N 2.73Š|
| 203 | Y | 35.8 | Very low | 38.4 | Very low | 236 Ų | 236 | 163.1 Ų | 163.1 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 122.4 | -176.2 | -161.4 | -95.1 | 0 | 0 | 0 | 112 | ||
| 204 | G | 33.6 | Very low | 38.4 | Very low | 75 Ų | 75 | 162 Ų | 162 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -132.2 | 99.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 205 | S | 37.6 | Very low | 38.2 | Very low | 105 Ų | 105 | 160.4 Ų | 160.4 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | trans | -85.1 | 133.5 | -177.4 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 206 | R | 37.8 | Very low | 38.1 | Very low | 219 Ų | 219 | 162 Ų | 162 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | -156.7 | 98.5 | 156.5 | -115.1 | 167.4 | -159.6 | -121.9 | 3.4 | 115.5 | ||||
| 207 | R | 39.6 | Very low | 38 | Very low | 214 Ų | 214 | 160.7 Ų | 160.7 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | 48.3 | 110.4 | 138.7 | -57.7 | 178.1 | 179.2 | -171.6 | -2.6 | 119.2 | ||||
| 208 | R | 39.7 | Very low | 38.1 | Very low | 250 Ų | 250 | 166 Ų | 166 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | -153.6 | 138.1 | 116.9 | -103.4 | 165.1 | -161.9 | -160.8 | 3.7 | 109.5 | |||||
| 209 | L | 38.9 | Very low | 37.9 | Very low | 166 Ų | 166 | 158.8 Ų | 158.8 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -109.4 | 137.5 | 171.6 | -71.1 | 167.1 | 0 | 0 | 0 | 107.6 | ||||
| 210 | L | 36.4 | Very low | 37.6 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | 176.8 | 118.5 | 152.1 | -103.2 | 163.4 | 0 | 0 | 0 | 111.8 | ||||
| 211 | P | 39 | Very low | 37.5 | Very low | 110 Ų | 110 | 156 Ų | 156 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | trans | -119.2 | 177.6 | 156.7 | 39.6 | -29.9 | 0 | 0 | 0 | 111 | ||||
| 212 | P | 47.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | -128.5 | 170.2 | -26.2 | 37.5 | -22.6 | 0 | 0 | 0 | 113.6 | ||||
| 213 | A | 33.3 | Very low | 36.6 | Very low | 107 Ų | 107 | 150 Ų | 150 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -164.2 | 152.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 214 | G | 31.2 | Very low | 36.6 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | cis | 166.6 | 116.5 | -8.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 215 | Q | 30.6 | Very low | 36.7 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 25.3 | 113.5 | 172.6 | -65.3 | 179.9 | -92.5 | 0 | 0 | 119.9 | ||||
| 216 | E | 37.6 | Very low | 36.5 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -130.7 | 162.9 | 138.1 | -71.9 | -166.4 | 170.2 | 0 | 0 | 109 | ||||
| 217 | E | 34.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 70% | 0.696 | 82% | 0.82 | S | S | * | * | trans | -133.5 | 168.1 | -155.8 | -160.3 | -178 | 159.2 | 0 | 0 | 112.3 | ||||
| 218 | Y | 35.8 | Very low | 35.9 | Very low | 189 Ų | 189 | 150 Ų | 150 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | 72.6 | 134.2 | 176.6 | -69.9 | -84.6 | 0 | 0 | 0 | 118.6 | ||||
| 219 | G | 35.9 | Very low | 35.6 | Very low | 80 Ų | 80 | 147.8 Ų | 147.8 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 176.7 | 33.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | E | 32.2 | Very low | 35.6 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -76 | 121.6 | -175.3 | -179.5 | -175.8 | 175.3 | 0 | 0 | 111.4 | ||||
| 221 | V | 42.4 | Very low | 35.8 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -138.8 | 109.4 | 158.9 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 222 | V | 32.4 | Very low | 35.9 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -83.1 | 142.4 | 167.6 | 177 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 223 | G | 37.3 | Very low | 35.2 | Very low | 71 Ų | 71 | 151.4 Ų | 151.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 178.2 | 60.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 224 | E | 34.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 156.7 Ų | 156.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 25.4 | 116.8 | 150.2 | -66.1 | 168.8 | -176 | 0 | 0 | 120.4 | ||||
| 225 | A | 37.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 157.8 Ų | 157.8 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -147 | 123.6 | 138 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 226 | E | 33.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 167.4 | 163.6 | -54.3 | 161.4 | 129.9 | 0 | 0 | 107.9 | ||||
| 227 | E | 33 | Very low | 36.7 | Very low | 172 Ų | 172 | 156 Ų | 156 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -165.6 | 121.8 | 17.2 | -159.2 | 175.8 | -149.9 | 0 | 0 | 108.7 | ||||
| 228 | E | 31.1 | Very low | 37 | Very low | 199 Ų | 199 | 160.2 Ų | 160.2 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -162.2 | 132.6 | 155.3 | -161.1 | 154.7 | -139.8 | 0 | 0 | 110.6 | ||||
| 229 | Y | 33.8 | Very low | 37.1 | Very low | 205 Ų | 205 | 160 Ų | 160 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -124 | 136.2 | -171.5 | -96.1 | -99.6 | 0 | 0 | 0 | 112.7 | ||||
| 230 | E | 39.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 163.4 Ų | 163.4 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | 57.5 | 91.6 | 157.8 | -63.6 | -172.1 | -155.1 | 0 | 0 | 120.4 | ||||
| 231 | E | 39.4 | Very low | 37.7 | Very low | 184 Ų | 184 | 164.7 Ų | 164.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -137.2 | -12.8 | 149.3 | -137.2 | -172.9 | 169.8 | 0 | 0 | 116.9 | ||
| 232 | E | 41 | Very low | 37.5 | Very low | 181 Ų | 181 | 165.7 Ų | 165.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -88 | -16.6 | -173.6 | -83.6 | -154.6 | 116.4 | 0 | 0 | 117.3 | ||
| 233 | E | 33.2 | Very low | 37.7 | Very low | 121 Ų | 121 | 164.9 Ų | 164.9 | 57% | 0.565 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -81.7 | -18.5 | -169.5 | -109.5 | -81.9 | 119.1 | 0 | 0 | 115 | A235 K237 | E233-A235 PolarHBondContact O-N 2.86Å; E233-K237 WeakPolarHBondContact OE2-CE 3.31Å; E233-K237 IonicContact OE2-NZ 3.85Å; E233-K237 PolarHBondContact OE2-NZ 3.36Å |
| 234 | W | 36.6 | Very low | 37.5 | Very low | 218 Ų | 218 | 167.1 Ų | 167.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -73.6 | -23.1 | -176.5 | -102.8 | -48.9 | 0 | 0 | 0 | 114.5 | R236 | W234-R236 PolarHBondContact O-N 2.85Š|
| 235 | A | 42.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 164.2 Ų | 164.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -69.8 | -12.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E233 | E233-A235 PolarHBondContact O-N 2.86Š|
| 236 | R | 43 | Very low | 37.2 | Very low | 208 Ų | 208 | 168.9 Ų | 168.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -115 | -1.1 | -169.3 | -64.4 | -177.4 | -179.6 | 163.4 | 6 | 115.8 | W234 | W234-R236 PolarHBondContact O-N 2.85Š|
| 237 | K | 41 | Very low | 37 | Very low | 148 Ų | 148 | 166.5 Ų | 166.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -107.8 | 22 | -168.7 | -84.7 | 172.2 | 176.3 | 166.8 | 0 | 117.2 | E233 | E233-K237 WeakPolarHBondContact OE2-CE 3.31Å; E233-K237 IonicContact OE2-NZ 3.85Å; E233-K237 PolarHBondContact OE2-NZ 3.36Å | ||
| 238 | R | 42.4 | Very low | 36.7 | Very low | 238 Ų | 238 | 167.4 Ų | 167.4 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -124.1 | 51.1 | 170.8 | -76.4 | -161.9 | -78.5 | -175.1 | -5.9 | 114.9 | ||||
| 239 | M | 37.5 | Very low | 36.7 | Very low | 183 Ų | 183 | 165 Ų | 165 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | trans | -95.5 | 93.6 | 162.8 | -170.3 | 169.2 | 69.7 | 0 | 0 | 109.5 | K241 | M239-K241 PolarHBondContact O-N 3.34Š| ||
| 240 | I | 43.3 | Very low | 36.4 | Very low | 153 Ų | 153 | 161 Ų | 161 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -75.9 | 125.9 | -174.6 | -67 | 178 | 0 | 0 | 0 | 111 | L242 | I240-L242 PolarHBondContact O-N 3.38Š| ||
| 241 | K | 36.7 | Very low | 36.1 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -74.1 | 104.2 | -179 | 178.4 | -173.9 | 177.7 | -176.7 | 0 | 111.1 | M239 V243 | M239-K241 PolarHBondContact O-N 3.34Å; K241-V243 HydrophobicContact CD-CG2 4.35Å; K241-V243 HydrophobicContact CG-CG2 4.23Å; K241-V243 PolarHBondContact O-N 2.92Å | ||
| 242 | L | 38.5 | Very low | 35.8 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | -69.5 | 110.8 | 165 | -90.8 | 163.2 | 0 | 0 | 0 | 109.7 | I240 | I240-L242 PolarHBondContact O-N 3.38Š| ||
| 243 | V | 37 | Very low | 35.3 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | trans | -89.3 | 134.9 | 165.2 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | K241 | K241-V243 HydrophobicContact CD-CG2 4.35Å; K241-V243 HydrophobicContact CG-CG2 4.23Å; K241-V243 PolarHBondContact O-N 2.92Å | ||
| 244 | V | 33.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 151 Ų | 151 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | -129.4 | 119.4 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 245 | D | 31.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -133 | 132.5 | 156 | -77.9 | -59.9 | 0 | 0 | 0 | 105.1 | ||||
| 246 | R | 33.3 | Very low | 34.6 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | 59.1 | 120.8 | 68.1 | -72 | -169.4 | 77.5 | -176.2 | 1 | 111.9 | |||||
| 247 | E | 28.4 | Very low | 34 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | cis | -140.5 | -168.6 | -5.9 | -53.5 | -165.3 | 151.6 | 0 | 0 | 107.9 | ||||
| 248 | Y | 27.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | cis | -155.1 | -178.2 | 11.4 | -168.8 | -100.3 | 0 | 0 | 0 | 109.8 | ||||
| 249 | E | 29.6 | Very low | 33.6 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -78.9 | 151.5 | 176.8 | -57.9 | -175.7 | 158.9 | 0 | 0 | 114.3 | ||||
| 250 | T | 29.2 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 166.1 | 142.2 | 112.2 | 37.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 251 | S | 31.7 | Very low | 32.3 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 33.8 | 126.4 | 142.2 | -50.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 252 | S | 33.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | trans | -138 | 147.4 | 141.9 | -172.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 253 | T | 31.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | -132.5 | 133.1 | -170.5 | 52 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 254 | G | 33.4 | Very low | 31 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | 161.5 | 140.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 255 | E | 32.6 | Very low | 30.9 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | cis | -156.2 | 170.8 | -6.4 | 48.1 | -148.5 | 88.7 | 0 | 0 | 110.7 | ||||
| 256 | D | 30.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -101.6 | 136.8 | -156.8 | -179.6 | 27.5 | 0 | 0 | 0 | 114.4 | ||||
| 257 | S | 31.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -172 | 127.4 | 161.2 | -83.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 258 | A | 27.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -160.6 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 259 | P | 45.7 | Very low | 31.1 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -133.2 | -157 | -2.9 | 41.5 | -22.5 | 0 | 0 | 0 | 113.3 | ||||
| 260 | E | 28 | Very low | 31.1 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | 71.1 | 150.3 | 165 | -110.2 | 56.2 | -127.6 | 0 | 0 | 117.1 | ||||
| 261 | C | 26.5 | Very low | 31.2 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 55% | 0.554 | 77% | 0.768 | S | S | * | * | cis | -157.7 | 134.3 | 10.4 | -165.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 262 | Q | 27.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | 60.6 | 153.7 | 150.9 | -77.5 | -175 | 75 | 0 | 0 | 120.2 | ||||
| 263 | R | 28.3 | Very low | 31.4 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | cis | -174.4 | 133.3 | -8.9 | 164.4 | -170.5 | -157.3 | 132.3 | -5.5 | 109.8 | ||||
| 264 | N | 27.9 | Very low | 32.1 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -170.9 | 150.9 | 137.9 | -98.9 | -20.6 | 0 | 0 | 0 | 112.2 | ||||
| 265 | R | 31 | Very low | 33 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | -155.1 | 160.4 | -175.4 | -77.3 | -165.9 | 178.7 | 174.4 | 0.5 | 110.1 | ||||
| 266 | L | 30.6 | Very low | 34 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | cis | -90.5 | -125 | 1.2 | -57.9 | 73.7 | 0 | 0 | 0 | 110.1 | ||||
| 267 | H | 29.9 | Very low | 35.6 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | cis | -136.9 | 161.6 | 3.7 | -94 | -88.7 | 0 | 0 | 0 | 110.6 | ||||
| 268 | H | 32.5 | Very low | 37.5 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -135.9 | 155.9 | 169.6 | -118.8 | -46.2 | 0 | 0 | 0 | 108.6 | ||||
| 269 | P | 34.3 | Very low | 39.9 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | -123.7 | 162.2 | 94.7 | 36.3 | -32.4 | 0 | 0 | 0 | 112.9 | |||||
| 270 | S | 28.4 | Very low | 41.2 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -113.1 | 127.9 | -178 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 271 | I | 32.4 | Very low | 43.7 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 83% | 0.831 | 65% | 0.653 | S | S | * | * | trans | -127.8 | 77.7 | 166 | -51 | -179 | 0 | 0 | 0 | 109.1 | ||||
| 272 | H | 35 | Very low | 46.3 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 80% | 0.801 | 64% | 0.644 | S | S | * | * | trans | -124.5 | 112.6 | 162.9 | -81.5 | -77.9 | 0 | 0 | 0 | 109.1 | N274 | H272-N274 PolarHBondContact O-N 2.9Š| ||
| 273 | S | 34.1 | Very low | 47.9 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | trans | -79.3 | 103.2 | 175.7 | 40.9 | 0 | 0 | 0 | 0 | 109.8 | I275 | S273-I275 VanDerWaalsContact C-N 3.27Å; S273-I275 PolarHBondContact O-N 2.98Å | ||
| 274 | N | 45 | Very low | 49.9 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -68.5 | 75.9 | -179.4 | -79.6 | -28.7 | 0 | 0 | 0 | 112.8 | H272 N276 | H272-N274 PolarHBondContact O-N 2.9Å; N274-N276 PolarHBondContact O-N 3.43Å | ||
| 275 | I | 53.6 | Low | 51.8 | Low | 75 Ų | 75 | 122.7 Ų | 122.7 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | trans | -93.2 | 71 | 173.9 | -51.2 | 179.6 | 0 | 0 | 0 | 109.3 | S273 G277 R289 | S273-I275 VanDerWaalsContact C-N 3.27Å; S273-I275 PolarHBondContact O-N 2.98Å; I275-G277 PolarHBondContact O-N 3.38Å; I275-R289 PolarHBondContact O-NH2 3.28Å | ||
| 276 | N | 54.3 | Low | 53.4 | Low | 124 Ų | 124 | 114.1 Ų | 114.1 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | trans | -66.6 | 93.3 | 175.1 | -86.6 | -4.4 | 0 | 0 | 0 | 110.9 | N274 | N274-N276 PolarHBondContact O-N 3.43Š| ||
| 277 | G | 63.5 | Low | 55.7 | Low | 12 Ų | 12 | 111.9 Ų | 111.9 | 12% | 0.124 | 61% | 0.612 | C | S | . | * | trans | -154.4 | 124.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | I275 T290 | I275-G277 PolarHBondContact O-N 3.38Å; G277-T290 CarbonylContact C-O 3.59Å; G277-T290 WeakPolarHBondContact CA-O 3.32Å | ||
| 278 | N | 71.3 | Confident | 57.7 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | trans | -70.9 | 137.7 | -173.4 | -64.3 | 14.6 | 0 | 0 | 0 | 110.3 | Y280 T290 | N278-Y280 HydrophobicContact CB-CD2 4.46Å; N278-Y280 HydrophobicContact CB-CE1 4.5Å; N278-Y280 HydrophobicContact CB-CE2 3.62Å; N278-Y280 PolarHBondContact ND2-OH 3.29Å; N278-T290 PolarHBondContact N-OG1 3.46Å; N278-T290 VanDerWaalsContact N-OG1 3.14Å; N278-T290 PolarHBondContact O-N 3.12Å; N278-T290 PolarHBondContact O-OG1 3.22Å | ||
| 279 | I | 79.1 | Confident | 59.8 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.6 | 173.9 | -54.2 | 172.4 | 0 | 0 | 0 | 107.3 | V287 R289 | I279-V287 HydrophobicContact CG2-CG1 3.54Å; I279-R289 HydrophobicContact CG1-CB 4.42Å; I279-R289 HydrophobicContact CG1-CG 4Å |
| 280 | Y | 72.5 | Confident | 61.1 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.5 | 173.7 | -58.7 | -78.8 | 0 | 0 | 0 | 109.3 | N278 V287 V288 T290 | N278-Y280 HydrophobicContact CB-CD2 4.46Å; N278-Y280 HydrophobicContact CB-CE1 4.5Å; N278-Y280 HydrophobicContact CB-CE2 3.62Å; N278-Y280 PolarHBondContact ND2-OH 3.29Å; Y280-V287 WeakPolarHBondContact O-CA 3.47Å; Y280-V288 PolarHBondContact N-O 3.4Å; Y280-V288 PolarHBondContact O-N 2.88Å; Y280-T290 HydrophobicContact CD2-CG2 4.21Å; Y280-T290 HydrophobicContact CE2-CG2 3.92Å |
| 281 | I | 81.1 | Confident | 62.8 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 66% | 0.656 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.4 | 176 | -50.9 | -178.4 | 0 | 0 | 0 | 106.7 | V287 | I281-V287 HydrophobicContact CG1-CG1 4.46Å; I281-V287 HydrophobicContact CG1-CG2 4.25Å; I281-V287 HydrophobicContact CG2-CG2 4.36Å |
| 282 | A | 79.8 | Confident | 63.7 | Low | 46 Ų | 46 | 109.4 Ų | 109.4 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | trans | -83.8 | 158.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N284 G285 S286 | A282-N284 WeakPolarHBondContact CB-OD1 3.41Å; A282-N284 PolarHBondContact O-N 3.42Å; A282-G285 PolarHBondContact O-N 3.01Å; A282-S286 PolarHBondContact N-O 2.97Å | ||
| 283 | Q | 61.6 | Low | 63.8 | Low | 212 Ų | 212 | 106.1 Ų | 106.1 | 99% | 0.991 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -14.5 | -178.1 | -69.9 | 175.5 | -25.9 | 0 | 0 | 114.2 | G285 | Q283-G285 VanDerWaalsContact C-N 3.32Š|
| 284 | N | 70.1 | Confident | 64 | Low | 128 Ų | 128 | 107 Ų | 107 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 11.1 | 171.8 | 69.3 | -4.1 | 0 | 0 | 0 | 113.8 | A282 S286 | A282-N284 WeakPolarHBondContact CB-OD1 3.41Å; A282-N284 PolarHBondContact O-N 3.42Å; N284-S286 VanDerWaalsContact C-N 3.29Å; N284-S286 PolarHBondContact O-N 3.2Å; N284-S286 WeakPolarHBondContact OD1-CB 3.09Å; N284-S286 PolarHBondContact OD1-N 3.05Å; N284-S286 VanDerWaalsContact OD1-N 3.11Å; N284-S286 PolarHBondContact OD1-OG 3.32Å |
| 285 | G | 68 | Low | 63.4 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 57% | 0.567 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 79.3 | -2.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A282 Q283 | A282-G285 PolarHBondContact O-N 3.01Å; Q283-G285 VanDerWaalsContact C-N 3.32Å |
| 286 | S | 64.8 | Low | 62.4 | Low | 52 Ų | 52 | 109.2 Ų | 109.2 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | trans | -74.5 | 137 | 178.2 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | A282 N284 | A282-S286 PolarHBondContact N-O 2.97Å; N284-S286 VanDerWaalsContact C-N 3.29Å; N284-S286 PolarHBondContact O-N 3.2Å; N284-S286 WeakPolarHBondContact OD1-CB 3.09Å; N284-S286 PolarHBondContact OD1-N 3.05Å; N284-S286 VanDerWaalsContact OD1-N 3.11Å; N284-S286 PolarHBondContact OD1-OG 3.32Å | ||
| 287 | V | 79.5 | Confident | 61.2 | Low | 93 Ų | 93 | 109.6 Ų | 109.6 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.4 | -175 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | I279 Y280 I281 | I279-V287 HydrophobicContact CG2-CG1 3.54Å; Y280-V287 WeakPolarHBondContact O-CA 3.47Å; I281-V287 HydrophobicContact CG1-CG1 4.46Å; I281-V287 HydrophobicContact CG1-CG2 4.25Å; I281-V287 HydrophobicContact CG2-CG2 4.36Å |
| 288 | V | 71.6 | Confident | 59.7 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 114 | -179.2 | -178 | 0 | 0 | 0 | 0 | 109.6 | Y280 | Y280-V288 PolarHBondContact N-O 3.4Å; Y280-V288 PolarHBondContact O-N 2.88Å |
| 289 | R | 77.1 | Confident | 57.9 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 48% | 0.483 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.2 | 175.1 | -174 | 168.5 | -170.9 | 147.8 | 1.9 | 111.2 | I275 I279 | I275-R289 PolarHBondContact O-NH2 3.28Å; I279-R289 HydrophobicContact CG1-CB 4.42Å; I279-R289 HydrophobicContact CG1-CG 4Å |
| 290 | T | 61.4 | Low | 55.8 | Low | 60 Ų | 60 | 126 Ų | 126 | 37% | 0.368 | 67% | 0.666 | S | S | . | * | trans | -72.4 | 144.8 | 169.1 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | G277 N278 Y280 | G277-T290 CarbonylContact C-O 3.59Å; G277-T290 WeakPolarHBondContact CA-O 3.32Å; N278-T290 PolarHBondContact N-OG1 3.46Å; N278-T290 VanDerWaalsContact N-OG1 3.14Å; N278-T290 PolarHBondContact O-N 3.12Å; N278-T290 PolarHBondContact O-OG1 3.22Å; Y280-T290 HydrophobicContact CD2-CG2 4.21Å; Y280-T290 HydrophobicContact CE2-CG2 3.92Å | ||
| 291 | R | 63.8 | Low | 53.8 | Low | 189 Ų | 189 | 126.7 Ų | 126.7 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | -122.3 | 130.4 | 168.4 | -66.2 | -174.2 | -178.7 | -136.8 | 3.8 | 108.4 | ||||
| 292 | R | 49.7 | Very low | 51.2 | Low | 183 Ų | 183 | 124.8 Ų | 124.8 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -92 | 127.9 | 165.4 | -75.3 | -174 | -80.9 | -157.1 | -5.1 | 108.6 | ||
| 293 | A | 39 | Very low | 48.8 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 127.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 294 | C | 37.8 | Very low | 47.8 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 120.3 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 295 | L | 31.8 | Very low | 45.8 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132 | 170 | -174.4 | 67.2 | 0 | 0 | 0 | 109.2 | ||
| 296 | T | 31.8 | Very low | 44.3 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -108.4 | 85.1 | -174.5 | 53.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 297 | D | 29.8 | Very low | 43 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -89.7 | 118.8 | 170.4 | -78.9 | -50.4 | 0 | 0 | 0 | 111.5 | ||||
| 298 | N | 32.3 | Very low | 40.6 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -111.3 | 96.6 | 171.6 | -81.2 | -92.7 | 0 | 0 | 0 | 109.3 | ||||
| 299 | L | 32.9 | Very low | 39.2 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -121.3 | 140.4 | 168.3 | -80.2 | 174.2 | 0 | 0 | 0 | 111.6 | ||||
| 300 | K | 34.8 | Very low | 38.1 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -123.9 | 97.8 | -157.4 | 176.4 | -173 | 177.7 | -177.2 | 0 | 109.5 | ||||
| 301 | V | 30.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -131.4 | 151.7 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 302 | A | 27.1 | Very low | 35.4 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -95.6 | 166.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 303 | S | 30.7 | Very low | 34.9 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -68.1 | 151.1 | 169.6 | 174 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 304 | P | 39.4 | Very low | 35 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 122.8 | 130.6 | 34.8 | -20 | 0 | 0 | 0 | 116.6 | ||||
| 305 | V | 29 | Very low | 34.5 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | 32.4 | 117.4 | 128 | -172.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 306 | R | 36.2 | Very low | 34.8 | Very low | 233 Ų | 233 | 145.4 Ų | 145.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 22.4 | 128.3 | 141 | -59.7 | -177.7 | 174 | -164.8 | -1.6 | 122.5 | ||||
| 307 | L | 37.4 | Very low | 35 | Very low | 180 Ų | 180 | 148 Ų | 148 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -167.8 | 155.1 | 137.9 | -98 | 144.4 | 0 | 0 | 0 | 108.1 | ||||
| 308 | G | 28.8 | Very low | 35 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | 149.7 | 79.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 309 | G | 41.4 | Very low | 35 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 147.7 | 159 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 310 | P | 55.3 | Low | 34.9 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 149.6 | -168.8 | 40.3 | -23 | 0 | 0 | 0 | 118.1 | ||||
| 311 | F | 30.3 | Very low | 34.6 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -141.3 | 141.7 | 161.7 | -79.3 | -99.4 | 0 | 0 | 0 | 108.7 | ||||
| 312 | K | 37.4 | Very low | 34.4 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | cis | 113.6 | 99.1 | 17.2 | -88.1 | -169.7 | 172.8 | 178.5 | 0 | 113.6 | ||||
| 313 | K | 38.6 | Very low | 34.4 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 74% | 0.735 | 80% | 0.796 | S | S | * | * | trans | 47.1 | 112 | 144.8 | -90.5 | -165.7 | 164.6 | -129 | 0 | 121.4 | D315 | K313-D315 IonicContact NZ-OD2 3.65Å; K313-D315 PolarHBondContact NZ-OD2 2.98Å | ||
| 314 | L | 42.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | -146.7 | 131.1 | 121 | -72.2 | 179.1 | 0 | 0 | 0 | 105.4 | |||||
| 315 | D | 28 | Very low | 33.5 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 51% | 0.508 | 79% | 0.79 | S | S | . | * | cis | 85.8 | 109.6 | 9.3 | -142.6 | -16.2 | 0 | 0 | 0 | 116.6 | K313 | K313-D315 IonicContact NZ-OD2 3.65Å; K313-D315 PolarHBondContact NZ-OD2 2.98Å | ||
| 316 | K | 36.6 | Very low | 34.4 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 84.8 | 141.3 | 156.9 | -93 | 172.4 | -177.4 | -179.5 | 0 | 123.8 | ||||
| 317 | L | 36.9 | Very low | 34 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | 74.2 | 145 | 169.3 | -45.7 | -172.6 | 0 | 0 | 0 | 116.5 | ||||
| 318 | A | 29.4 | Very low | 33.5 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -128.8 | 160.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 319 | V | 32.4 | Very low | 33.4 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -110.2 | 133.8 | 170.1 | 169.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 320 | T | 31.4 | Very low | 32.8 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -137.2 | 107.1 | 159.3 | 48.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 321 | H | 27.8 | Very low | 31.6 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | 70.8 | 88.5 | 94.2 | -164.4 | -63.5 | 0 | 0 | 0 | 110.7 | |||||
| 322 | E | 26.2 | Very low | 31.5 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | 67.3 | 115.7 | 88.7 | -79.4 | -166.8 | -134 | 0 | 0 | 114.6 | |||||
| 323 | E | 27 | Very low | 31 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | -148.8 | 153.5 | 127.6 | -168.4 | 169.3 | 168.7 | 0 | 0 | 108.9 | |||||
| 324 | N | 25.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 138 Ų | 138 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -138.9 | 130.6 | -173.4 | -70.6 | -79.7 | 0 | 0 | 0 | 111.9 | ||||
| 325 | V | 26.5 | Very low | 30.9 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | 53.5 | 139.9 | 123.7 | 176.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 326 | P | 46.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -145.2 | -142.3 | -27.3 | 44 | -22.2 | 0 | 0 | 0 | 113.3 | ||||
| 327 | L | 28.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 114.3 | 120.1 | 159.3 | -61.9 | 174.2 | 0 | 0 | 0 | 115.3 | ||||
| 328 | N | 25.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | 79.9 | 133.3 | 64.4 | -88.6 | -17.9 | 0 | 0 | 0 | 113.4 | |||||
| 329 | T | 27.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -154.3 | -176.4 | 19.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 330 | L | 29.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 81.3 | 144.3 | 160.1 | -108.7 | 64.3 | 0 | 0 | 0 | 118.1 | ||||
| 331 | S | 28.7 | Very low | 30.4 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | -153.5 | 152.9 | 6 | 85.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 332 | K | 29.6 | Very low | 30.5 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | 56.1 | 130.5 | 154.4 | -71 | -178.8 | 175.3 | 177.6 | 0 | 122.3 | ||||
| 333 | G | 27.3 | Very low | 30.8 | Very low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -99.4 | -145.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 334 | P | 43.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | cis | -135 | -161.3 | 18.5 | 43.8 | -25.2 | 0 | 0 | 0 | 115.6 | ||||
| 335 | F | 34.4 | Very low | 31.5 | Very low | 203 Ų | 203 | 144 Ų | 144 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -107.9 | 163.2 | -175.3 | -56.3 | -100.1 | 0 | 0 | 0 | 114.6 | ||||
| 336 | S | 28.8 | Very low | 31.6 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -155.2 | 138.3 | 143.1 | 56.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 337 | T | 32.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | cis | 68.2 | 98.5 | 24.3 | 76.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 338 | E | 28.2 | Very low | 30.6 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | -161.2 | 165.9 | 129.3 | -164.6 | 143.1 | -148 | 0 | 0 | 110.9 | |||||
| 339 | K | 36.3 | Very low | 30.7 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -150.6 | 114 | -176.4 | 174.3 | -169.7 | 177 | -175.6 | 0 | 110 | ||||
| 340 | M | 32.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 105.8 | 176.9 | -169.4 | 134.4 | 90.4 | 0 | 0 | 115.2 | ||||
| 341 | N | 27.6 | Very low | 31 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 37.3 | 155.2 | 132.5 | -49.9 | -29.7 | 0 | 0 | 0 | 124.1 | ||||
| 342 | A | 28.2 | Very low | 30.9 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 89.5 | 111.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 343 | R | 33.6 | Very low | 31.2 | Very low | 244 Ų | 244 | 140.3 Ų | 140.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -96.7 | 173.6 | 140.2 | -70.6 | -178.6 | 175.1 | -179.4 | -1.5 | 107.5 | ||||
| 344 | P | 42.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | cis | -131.1 | -174.8 | 3.5 | 41.6 | -25.2 | 0 | 0 | 0 | 114.1 | ||||
| 345 | T | 25.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | 173.8 | 140.2 | 116.1 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 346 | L | 28.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | -55.3 | 142.8 | 174.1 | 164.8 | 156.6 | 0 | 0 | 0 | 115.9 | ||||
| 347 | V | 27.6 | Very low | 30.6 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -145.1 | 135.1 | 140.7 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | T | 25.2 | Very low | 30.7 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 57% | 0.571 | 78% | 0.78 | S | S | * | * | trans | -102.2 | 154.2 | 173.4 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 349 | F | 28.2 | Very low | 30.8 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | 169.1 | 124 | 131.8 | -83.1 | -54.7 | 0 | 0 | 0 | 112.6 | ||||
| 350 | A | 28.7 | Very low | 30.4 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -105.7 | 164.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 351 | P | 34.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | -156.7 | 162.1 | 76.3 | 40.9 | -20.8 | 0 | 0 | 0 | 119 | |||||
| 352 | C | 27.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 71.9 | 154.7 | 146.5 | -71.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 353 | P | 36.3 | Very low | 31.4 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -105.9 | 173.8 | -175 | 42.1 | -36.3 | 0 | 0 | 0 | 115.1 | ||||
| 354 | V | 30.1 | Very low | 31 | Very low | 151 Ų | 151 | 126 Ų | 126 | 92% | 0.915 | 76% | 0.758 | S | S | * | * | trans | -130.9 | 144.8 | 167.6 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 355 | G | 28.4 | Very low | 30.2 | Very low | 62 Ų | 62 | 130.6 Ų | 130.6 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | cis | 153.3 | 168.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 356 | T | 30.9 | Very low | 30.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 68 | 134 | 168.6 | -79.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 357 | D | 31.3 | Very low | 30.4 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | cis | -156.4 | 165.3 | -6.7 | -119.2 | 46.6 | 0 | 0 | 0 | 109.8 | ||||
| 358 | N | 34 | Very low | 30.5 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | cis | -126.8 | -79.2 | -2 | -179.5 | -91 | 0 | 0 | 0 | 112.3 | ||||
| 359 | T | 31.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -142.8 | 157 | -12.4 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 360 | A | 26.9 | Very low | 30.7 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -61.8 | 145.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 361 | V | 31.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | cis | -132.5 | 160.5 | 31.2 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 362 | K | 32.6 | Very low | 30.4 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -135.9 | 170.4 | 177 | -98 | 176.7 | 178.7 | 165.4 | 0 | 109.6 | ||||
| 363 | P | 44.1 | Very low | 30.6 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -114.3 | -141.8 | -1.1 | 30.7 | -8.1 | 0 | 0 | 0 | 110 | ||||
| 364 | L | 25.9 | Very low | 30.2 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | cis | -155.3 | 134.7 | -1.5 | -158.3 | 66.8 | 0 | 0 | 0 | 105.7 | ||||
| 365 | R | 26.3 | Very low | 30.1 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | 45 | 127.3 | 81.9 | -94.9 | -169.1 | 173.6 | -159.3 | 1 | 114.9 | |||||
| 366 | N | 27.2 | Very low | 30.2 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -151.1 | 168.8 | 34.2 | -88.5 | -46.6 | 0 | 0 | 0 | 114.7 | ||||
| 367 | R | 30.6 | Very low | 30 | Very low | 241 Ų | 241 | 152.4 Ų | 152.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 161.9 | 165 | -71.7 | 169 | 148.3 | -176.2 | -5.7 | 112.8 | ||||
| 368 | L | 28.6 | Very low | 30.1 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | -161 | -176.9 | 123.6 | -108.7 | 167.2 | 0 | 0 | 0 | 112.8 | |||||
| 369 | K | 30.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 155 Ų | 155 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -120.7 | 143.1 | -170.5 | -72.7 | -179.5 | 169.6 | -173 | 0 | 113.7 | ||||
| 370 | S | 27.5 | Very low | 29.6 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -174.9 | 143.1 | 146.4 | 48.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 371 | T | 28.7 | Very low | 29.8 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | 84 | 136.6 | 20.7 | -44 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 372 | V | 27.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | 94.6 | 141.4 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 373 | E | 32.2 | Very low | 29.6 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -84 | 175.4 | -171.9 | -54.9 | 140.8 | 170.9 | 0 | 0 | 112.7 | ||||
| 374 | Q | 28.5 | Very low | 29 | Very low | 182 Ų | 182 | 158.4 Ų | 158.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | -165.3 | 160.8 | 109.2 | -164.1 | 150 | 24.3 | 0 | 0 | 111.9 | |||||
| 375 | E | 27.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 158.8 Ų | 158.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 174 | -174.8 | -49.5 | 141.8 | 119.1 | 0 | 0 | 113.5 | ||||
| 376 | S | 29 | Very low | 29.2 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -140.6 | 124.9 | 153.5 | 65 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 377 | M | 27.9 | Very low | 29.2 | Very low | 178 Ų | 178 | 155 Ų | 155 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -123.2 | 156.8 | -170.9 | -161.5 | -174.3 | -156.9 | 0 | 0 | 110.8 | ||||
| 378 | I | 32.3 | Very low | 29.1 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | trans | 153.2 | 107.8 | 164.4 | -84.3 | 151.8 | 0 | 0 | 0 | 105.2 | ||||
| 379 | D | 26.3 | Very low | 29 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 77.4 | 137 | 60 | -163.4 | 58 | 0 | 0 | 0 | 112.6 | |||||
| 380 | S | 28.7 | Very low | 28.8 | Very low | 66 Ų | 66 | 148 Ų | 148 | 46% | 0.462 | 77% | 0.774 | S | S | . | * | cis | -147.9 | 165.4 | 13.9 | -8.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 381 | K | 32 | Very low | 28.7 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 124.9 | 150.9 | -63.6 | 153.2 | -170.9 | 152.1 | 0 | 118.4 | ||||
| 382 | N | 29.2 | Very low | 28.8 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | cis | 82.5 | 110.8 | 38.5 | -171.3 | 0.1 | 0 | 0 | 0 | 114.8 | ||||
| 383 | I | 31.3 | Very low | 29 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -165.3 | 145.8 | 148.3 | -99.4 | 150.5 | 0 | 0 | 0 | 110.2 | ||||
| 384 | K | 31.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | trans | 3.6 | 142.8 | 166.1 | -70.5 | 178.9 | 163.9 | -80.1 | 0 | 122 | ||||
| 385 | E | 29.3 | Very low | 29.2 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | 90.4 | 116.2 | 34.9 | -175.2 | -170.6 | -118.9 | 0 | 0 | 115.1 | ||||
| 386 | A | 25.7 | Very low | 29.4 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 62.5 | 151.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 387 | L | 28.5 | Very low | 29.8 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | cis | -154 | 174.9 | 24.6 | -163.3 | 74.1 | 0 | 0 | 0 | 111.2 | ||||
| 388 | E | 27.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | -89.7 | 168.8 | 174.6 | -64.5 | 174.3 | 111.3 | 0 | 0 | 115.2 | ||||
| 389 | F | 26.7 | Very low | 31 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 103.1 | 125.9 | 149.4 | -68.5 | -67.1 | 0 | 0 | 0 | 122.7 | ||||
| 390 | H | 26 | Very low | 31.8 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | 60.4 | 151.8 | 141.3 | -69.6 | -45.8 | 0 | 0 | 0 | 120.5 | ||||
| 391 | S | 26.9 | Very low | 32.9 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | cis | -158.9 | 156.5 | -3 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 392 | D | 30.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 12.7 | 131 | 149.3 | -43.6 | -28.6 | 0 | 0 | 0 | 121.4 | ||||
| 393 | H | 31.1 | Very low | 33.8 | Very low | 186 Ų | 186 | 153 Ų | 153 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -143.1 | 161.7 | 142.4 | -156.4 | 59.8 | 0 | 0 | 0 | 111 | ||||
| 394 | T | 33.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -126.6 | 161.2 | -161.3 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 395 | Q | 31.2 | Very low | 34.9 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 97.9 | 152.3 | 144.5 | -155.2 | 167.3 | 11.2 | 0 | 0 | 119 | ||||
| 396 | S | 32.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 142.7 | 175.8 | 69.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 397 | D | 36.7 | Very low | 36.1 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -161.7 | -178.2 | -36.3 | -134.7 | -36.1 | 0 | 0 | 0 | 109.6 | ||||
| 398 | D | 39.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 60.7 | 109.9 | 157.7 | -62 | -41.7 | 0 | 0 | 0 | 120.4 | ||||
| 399 | E | 45.2 | Very low | 37.7 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 176 | 78.9 | 125.2 | -88.5 | -103 | 143.3 | 0 | 0 | 109.1 | L401 | E399-L401 PolarHBondContact O-N 3.42Š| |||
| 400 | E | 43.7 | Very low | 38.4 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -87.4 | 100.4 | -176.8 | -167.4 | 175.4 | -138 | 0 | 0 | 111.6 | W402 | E400-W402 PolarHBondContact O-N 3.11Š| ||
| 401 | L | 51.7 | Low | 39.6 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -78 | 103.6 | 175.5 | -86.8 | 175.1 | 0 | 0 | 0 | 112 | E399 M403 | E399-L401 PolarHBondContact O-N 3.42Å; L401-M403 PolarHBondContact O-N 3.45Å | ||
| 402 | W | 40.2 | Very low | 40.5 | Very low | 218 Ų | 218 | 151.5 Ų | 151.5 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -60.3 | 122.8 | -176.7 | -71.7 | 69.7 | 0 | 0 | 0 | 114.2 | E400 | E400-W402 PolarHBondContact O-N 3.11Š| ||
| 403 | M | 41.1 | Very low | 41.3 | Very low | 179 Ų | 179 | 153 Ų | 153 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -129 | 103.2 | 157.9 | -78.8 | -60.2 | -61 | 0 | 0 | 110.4 | L401 | L401-M403 PolarHBondContact O-N 3.45Š| ||
| 404 | G | 39.3 | Very low | 42.4 | Very low | 54 Ų | 54 | 149.6 Ų | 149.6 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 164.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 405 | P | 45.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 154 Ų | 154 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -93 | 113 | -158.4 | 33.9 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 406 | W | 42.1 | Very low | 43.4 | Very low | 258 Ų | 258 | 157.5 Ų | 157.5 | 98% | 0.977 | 81% | 0.806 | S | S | * | * | trans | -132.9 | 68.3 | 162.8 | -75.1 | 94.5 | 0 | 0 | 0 | 111.8 | ||||
| 407 | N | 39.3 | Very low | 43.9 | Very low | 139 Ų | 139 | 159.9 Ų | 159.9 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -89.8 | 170 | 158.8 | -163.6 | 3.2 | 0 | 0 | 0 | 109.4 | ||||
| 408 | N | 39.5 | Very low | 44.3 | Very low | 133 Ų | 133 | 161.1 Ų | 161.1 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 81.5 | 80.1 | 176.5 | -47.4 | -42 | 0 | 0 | 0 | 117 | ||||
| 409 | L | 48.1 | Very low | 44.5 | Very low | 166 Ų | 166 | 162.2 Ų | 162.2 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -115.9 | 91.2 | 134.8 | -121.7 | 91.5 | 0 | 0 | 0 | 109.4 | ||||
| 410 | H | 43.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 160.7 Ų | 160.7 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | -82 | 117.3 | 175.7 | -165 | -75.6 | 0 | 0 | 0 | 108.6 | P412 | H410-P412 WeakPolarHBondContact O-CD 3.44Š| ||
| 411 | I | 50.8 | Low | 44.6 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -102.3 | 95.2 | 179.3 | -56.5 | 178.7 | 0 | 0 | 0 | 109.5 | M413 | I411-M413 PolarHBondContact O-N 3.38Š| ||
| 412 | P | 45.3 | Very low | 44.1 | Very low | 86 Ų | 86 | 160.4 Ų | 160.4 | 56% | 0.558 | 81% | 0.811 | S | S | * | * | trans | -75.6 | 116.9 | 173.6 | 30.7 | -33.8 | 0 | 0 | 0 | 110.8 | H410 T414 | H410-P412 WeakPolarHBondContact O-CD 3.44Å; P412-T414 VanDerWaalsContact C-N 3.31Å; P412-T414 PolarHBondContact O-N 3.49Å | ||
| 413 | M | 47 | Very low | 44.4 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 72.7 | 178.5 | -167.9 | -180 | 72.7 | 0 | 0 | 111.4 | I411 | I411-M413 PolarHBondContact O-N 3.38Š| ||
| 414 | T | 54.8 | Low | 44.6 | Very low | 115 Ų | 115 | 154.5 Ų | 154.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -132.6 | 74.9 | -177.5 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | P412 | P412-T414 VanDerWaalsContact C-N 3.31Å; P412-T414 PolarHBondContact O-N 3.49Å | ||
| 415 | K | 40.6 | Very low | 45.1 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -177 | 113.1 | 155.2 | -98.3 | 156.9 | -174.4 | 179.6 | 0 | 104.9 | ||||
| 416 | L | 43.9 | Very low | 45 | Very low | 248 Ų | 248 | 166.8 Ų | 166.8 | 100% | 1.298 | 83% | 0.83 | S | S | * | * | 49.6 | 0 | 55.7 | -67.3 | 177.9 | 0 | 0 | 0 | 111.7 |
Retrieved 416 of 416 residues in 188.1 ms
(Link to these results)