| 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 | 85.1 | Confident | 91.5 | Very high | 182 Ų | 182 | 34.7 Ų | 34.7 | 90% | 0.897 | 20% | 0.204 | S | C | * | . | 0 | 126.2 | 0 | 178.1 | 164.4 | -55.8 | 0 | 0 | 107.1 | G38 | M1-G38 WeakPolarHBondContact CB-O 3.31Å; M1-G38 WeakPolarHBondContact CE-O 3.42Å; M1-G38 WeakPolarHBondContact CG-O 3.32Å | |||
| 2 | A | 93.5 | Very high | 91 | Very high | 24 Ų | 24 | 32 Ų | 32 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | trans | -138.9 | 150.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | I4 H39 E40 D224 | A2-I4 HydrophobicContact CB-CG1 4.44Å; A2-H39 WeakPolarHBondContact CB-ND1 3.11Å; A2-H39 PolarHBondContact N-ND1 2.99Å; A2-H39 VanDerWaalsContact N-ND1 3.18Å; A2-H39 WeakPolarHBondContact O-CA 3.36Å; A2-H39 WeakPolarHBondContact O-CB 3.44Å; A2-H39 PolarHBondContact O-ND1 3.01Å; A2-E40 PolarHBondContact O-N 3.4Å; A2-D224 VanDerWaalsContact CA-OD2 3.24Å; A2-D224 WeakPolarHBondContact CA-OD2 3.21Å; A2-D224 HydrophobicContact CB-CB 4.01Å | ||
| 3 | K | 96.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 30.5 Ų | 30.5 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.9 | 172.7 | -172.4 | -175.8 | -55.5 | 174.7 | 0 | 109.4 | E40 I221 C223 D224 Q225 | K3-E40 CarbonylContact C-O 3.53Å; K3-E40 WeakPolarHBondContact CA-O 3.49Å; K3-E40 HydrophobicContact CB-CB 4.37Å; K3-E40 WeakPolarHBondContact CE-OE2 3.39Å; K3-E40 HydrophobicContact CG-CB 4.26Å; K3-I221 HydrophobicContact CD-CB 4.21Å; K3-I221 HydrophobicContact CD-CD1 3.87Å; K3-I221 HydrophobicContact CD-CG1 3.82Å; K3-I221 WeakPolarHBondContact CD-O 3.42Å; K3-I221 HydrophobicContact CG-CD1 4.29Å; K3-I221 PolarHBondContact NZ-O 2.94Å; K3-C223 HydrophobicContact CB-CB 4.29Å; K3-C223 HydrophobicContact CD-CB 4.21Å; K3-C223 HydrophobicContact CG-CB 3.99Å; K3-C223 CarbonylContact O-C 3.58Å; K3-C223 WeakPolarHBondContact O-CB 3.48Å; K3-D224 PolarHBondContact N-OD2 3Å; K3-D224 PolarHBondContact O-N 3.18Å; K3-Q225 PolarHBondContact O-N 3.3Å |
| 4 | I | 97.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.7 | -170.7 | -55.9 | 179.9 | 0 | 0 | 0 | 109.5 | A2 V6 L34 H39 E40 I41 V42 Q225 I227 | A2-I4 HydrophobicContact CB-CG1 4.44Å; I4-V6 HydrophobicContact CG2-CG2 3.78Å; I4-L34 HydrophobicContact CD1-CD2 4.02Å; I4-H39 HydrophobicContact CD1-CB 3.92Å; I4-H39 HydrophobicContact CG1-CB 4.44Å; I4-E40 PolarHBondContact N-O 3.18Å; I4-I41 WeakPolarHBondContact O-CA 3.28Å; I4-V42 PolarHBondContact O-N 3.47Å; I4-Q225 VanDerWaalsContact CA-O 3.32Å; I4-Q225 WeakPolarHBondContact CA-O 3.13Å; I4-Q225 HydrophobicContact CG1-CB 4.44Å; I4-I227 HydrophobicContact CG2-CD1 3.61Å; I4-I227 HydrophobicContact CG2-CG1 3.81Å |
| 5 | V | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.1 | 163.6 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | V42 L217 I221 C223 Q225 L226 I227 | V5-V42 CarbonylContact C-O 3.56Å; V5-V42 WeakPolarHBondContact CA-O 3.19Å; V5-V42 HydrophobicContact CG2-CB 4.32Å; V5-L217 HydrophobicContact CG1-CD2 4.33Å; V5-L217 HydrophobicContact CG2-CG 4.39Å; V5-I221 HydrophobicContact CG2-CD1 3.59Å; V5-I221 HydrophobicContact CG2-CG1 4.39Å; V5-C223 HydrophobicContact CG2-CB 4.16Å; V5-Q225 PolarHBondContact N-O 2.82Å; V5-L226 HydrophobicContact CB-CD1 3.93Å; V5-L226 HydrophobicContact CG1-CD1 3.83Å; V5-L226 CarbonylContact O-C 3.57Å; V5-I227 PolarHBondContact O-N 3.22Å |
| 6 | V | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.7 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | I4 L8 L31 L34 I41 V42 I43 S44 I227 L229 | I4-V6 HydrophobicContact CG2-CG2 3.78Å; V6-L8 HydrophobicContact CG1-CD2 4.05Å; V6-L31 HydrophobicContact CB-CD2 4.38Å; V6-L31 HydrophobicContact CG1-CD2 3.86Å; V6-L31 HydrophobicContact CG2-CD2 4.39Å; V6-L34 HydrophobicContact CG2-CD1 4.11Å; V6-I41 HydrophobicContact CG2-CG2 3.98Å; V6-V42 PolarHBondContact N-O 3.01Å; V6-I43 WeakPolarHBondContact O-CA 3.33Å; V6-S44 PolarHBondContact O-N 3.42Å; V6-I227 CarbonylContact C-O 3.49Å; V6-I227 WeakPolarHBondContact CA-O 3.45Å; V6-I227 HydrophobicContact CG1-CB 4.45Å; V6-I227 HydrophobicContact CG1-CG2 4.5Å; V6-I227 HydrophobicContact CG2-CB 4.33Å; V6-I227 HydrophobicContact CG2-CD1 4.41Å; V6-L229 HydrophobicContact CG1-CD1 3.85Å; V6-L229 HydrophobicContact CG1-CG 4.14Å |
| 7 | A | 97.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 99.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G9 S44 K210 S214 I227 I228 L229 | A7-G9 PolarHBondContact O-N 3.37Å; A7-S44 WeakPolarHBondContact CA-OG 3.33Å; A7-K210 PolarHBondContact O-NZ 3.36Å; A7-S214 WeakPolarHBondContact CB-OG 3.41Å; A7-I227 PolarHBondContact N-O 2.96Å; A7-I228 HydrophobicContact CB-CG1 4.47Å; A7-L229 PolarHBondContact O-N 3.2Å |
| 8 | L | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.4 | -178.5 | -59.7 | -178.5 | 0 | 0 | 0 | 112 | V6 A12 T27 L31 I43 S44 H45 G46 L87 K210 L229 | V6-L8 HydrophobicContact CG1-CD2 4.05Å; L8-A12 HydrophobicContact CB-CB 4.16Å; L8-T27 HydrophobicContact CD1-CG2 4.08Å; L8-T27 HydrophobicContact CD2-CG2 3.9Å; L8-L31 HydrophobicContact CD1-CD1 4.35Å; L8-L31 HydrophobicContact CD2-CD1 4.23Å; L8-L31 HydrophobicContact CD2-CD2 4.42Å; L8-I43 HydrophobicContact CD1-CG2 3.71Å; L8-I43 HydrophobicContact CG-CG2 3.94Å; L8-S44 WeakPolarHBondContact CB-O 3.41Å; L8-S44 WeakPolarHBondContact CG-O 3.29Å; L8-S44 PolarHBondContact N-O 3.11Å; L8-H45 HydrophobicContact CB-CB 3.99Å; L8-H45 HydrophobicContact CD1-CB 4.47Å; L8-G46 PolarHBondContact O-N 3.25Å; L8-L87 HydrophobicContact CD1-CD1 4.03Å; L8-L87 HydrophobicContact CD1-CD2 3.81Å; L8-K210 VanDerWaalsContact O-CE 3.24Å; L8-K210 WeakPolarHBondContact O-CE 3.28Å; L8-K210 PolarHBondContact O-NZ 3.34Å; L8-L229 HydrophobicContact CD2-CD1 3.83Å |
| 9 | G | 83.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -75.6 | 169.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A7 N11 A12 L229 | A7-G9 PolarHBondContact O-N 3.37Å; G9-N11 PolarHBondContact O-N 3.34Å; G9-A12 WeakPolarHBondContact O-CB 3.36Å; G9-A12 PolarHBondContact O-N 3.45Å; G9-L229 VanDerWaalsContact CA-O 3.23Å; G9-L229 WeakPolarHBondContact CA-O 3.25Å; G9-L229 PolarHBondContact N-O 2.84Å; G9-L229 VanDerWaalsContact N-O 3.13Å | ||
| 10 | G | 79.4 | Confident | 91.1 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -62.9 | -22.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A12 L13 | G10-A12 PolarHBondContact O-N 2.9Å; G10-L13 PolarHBondContact O-N 3.28Å; G10-L13 VanDerWaalsContact O-N 3.13Å |
| 11 | N | 82.6 | Confident | 91.3 | Very high | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -70.3 | -14.5 | 174.1 | 57.5 | -54.3 | 0 | 0 | 0 | 114 | G9 L13 T230 | G9-N11 PolarHBondContact O-N 3.34Å; N11-L13 VanDerWaalsContact C-N 3.31Å; N11-T230 PolarHBondContact ND2-O 3.27Å |
| 12 | A | 85.4 | Confident | 91.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -84.6 | -7.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L8 G9 G10 T27 L293 | L8-A12 HydrophobicContact CB-CB 4.16Å; G9-A12 WeakPolarHBondContact O-CB 3.36Å; G9-A12 PolarHBondContact O-N 3.45Å; G10-A12 PolarHBondContact O-N 2.9Å; A12-T27 HydrophobicContact CB-CG2 4.26Å; A12-L293 HydrophobicContact CB-CD2 4.31Å |
| 13 | L | 90.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -124.5 | 141 | -173.3 | -54.9 | 177.4 | 0 | 0 | 0 | 110.9 | G10 N11 Q20 V24 H45 G46 I83 | G10-L13 PolarHBondContact O-N 3.28Å; G10-L13 VanDerWaalsContact O-N 3.13Å; N11-L13 VanDerWaalsContact C-N 3.31Å; L13-Q20 HydrophobicContact CB-CG 4.47Å; L13-Q20 HydrophobicContact CD2-CG 4.4Å; L13-V24 HydrophobicContact CD2-CG1 3.94Å; L13-H45 HydrophobicContact CD1-CB 4.44Å; L13-G46 WeakPolarHBondContact CD1-O 3.45Å; L13-I83 HydrophobicContact CD1-CD1 4.18Å; L13-I83 HydrophobicContact CD1-CG2 4.22Å; L13-I83 HydrophobicContact CD2-CG2 3.7Å |
| 14 | G | 88.7 | Confident | 91.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | trans | -88.3 | 172.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Q50 | G14-Q50 PolarHBondContact O-NE2 2.92Å; G14-Q50 VanDerWaalsContact O-NE2 3.09Å | ||
| 15 | K | 84.4 | Confident | 91.6 | Very high | 177 Ų | 177 | 43.1 Ų | 43.1 | 77% | 0.77 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -90.6 | -13.8 | 177.5 | -57.2 | 175.4 | -176.8 | 173.3 | 0 | 112.8 | E19 | K15-E19 WeakPolarHBondContact CB-OE2 3.42Å; K15-E19 PolarHBondContact N-OE2 3.36Å |
| 16 | S | 89.8 | Confident | 91.2 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -131.3 | 160.8 | 174.4 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | Q18 E19 Q20 | S16-Q18 VanDerWaalsContact C-N 3.28Å; S16-Q18 PolarHBondContact O-N 3.37Å; S16-E19 PolarHBondContact O-N 3.47Å; S16-E19 VanDerWaalsContact OG-CB 3.25Å; S16-E19 WeakPolarHBondContact OG-CB 3.42Å; S16-E19 PolarHBondContact OG-N 2.98Å; S16-Q20 WeakPolarHBondContact O-CB 3.2Å; S16-Q20 PolarHBondContact O-N 3.14Å |
| 17 | P | 93 | Very high | 91 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55 | -40.6 | 176.3 | -27.9 | 36 | 0 | 0 | 0 | 114.4 | L21 Y82 Q86 | P17-L21 WeakPolarHBondContact O-CB 3.5Å; P17-L21 PolarHBondContact O-N 3.5Å; P17-Y82 WeakPolarHBondContact CA-OH 3.4Å; P17-Y82 HydrophobicContact CB-CE2 4.37Å; P17-Y82 HydrophobicContact CG-CE2 4.49Å; P17-Q86 PolarHBondContact O-NE2 2.68Å |
| 18 | Q | 94.9 | Very high | 90.8 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -70 | -48.3 | 179.8 | -170.8 | 66.1 | 28.5 | 0 | 0 | 111.5 | S16 Q20 L21 E22 | S16-Q18 VanDerWaalsContact C-N 3.28Å; S16-Q18 PolarHBondContact O-N 3.37Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å; Q18-Q20 PolarHBondContact O-N 2.93Å; Q18-L21 PolarHBondContact O-N 3.46Å; Q18-E22 PolarHBondContact O-N 3.02Å; Q18-E22 VanDerWaalsContact O-N 3.14Å |
| 19 | E | 94.7 | Very high | 90.6 | Very high | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.6 | -176 | -170.3 | -174.4 | 0 | 0 | 111.1 | K15 S16 E22 L23 | K15-E19 WeakPolarHBondContact CB-OE2 3.42Å; K15-E19 PolarHBondContact N-OE2 3.36Å; S16-E19 PolarHBondContact O-N 3.47Å; S16-E19 VanDerWaalsContact OG-CB 3.25Å; S16-E19 WeakPolarHBondContact OG-CB 3.42Å; S16-E19 PolarHBondContact OG-N 2.98Å; E19-E22 PolarHBondContact O-N 3.49Å; E19-L23 HydrophobicContact CG-CD1 4.16Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.18Å |
| 20 | Q | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.8 | -172.7 | 174.7 | -76.3 | 0 | 0 | 110.7 | L13 S16 Q18 E22 L23 V24 Q50 Y82 | L13-Q20 HydrophobicContact CB-CG 4.47Å; L13-Q20 HydrophobicContact CD2-CG 4.4Å; S16-Q20 WeakPolarHBondContact O-CB 3.2Å; S16-Q20 PolarHBondContact O-N 3.14Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å; Q18-Q20 PolarHBondContact O-N 2.93Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 2.94Å; Q20-L23 PolarHBondContact O-N 3.26Å; Q20-V24 HydrophobicContact CG-CG1 4.27Å; Q20-V24 WeakPolarHBondContact O-CG1 3.46Å; Q20-V24 VanDerWaalsContact O-CG2 3.29Å; Q20-V24 WeakPolarHBondContact O-CG2 3.33Å; Q20-V24 PolarHBondContact O-N 3.46Å; Q20-Q50 VanDerWaalsContact OE1-CG 3.27Å; Q20-Y82 PolarHBondContact NE2-OH 2.85Å |
| 21 | L | 95 | Very high | 91.5 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 177 | -175.1 | 59.3 | 0 | 0 | 0 | 112.1 | P17 Q18 V24 K25 Q86 | P17-L21 WeakPolarHBondContact O-CB 3.5Å; P17-L21 PolarHBondContact O-N 3.5Å; Q18-L21 PolarHBondContact O-N 3.46Å; L21-V24 HydrophobicContact CD1-CG2 4.3Å; L21-V24 VanDerWaalsContact O-CG2 3.31Å; L21-V24 WeakPolarHBondContact O-CG2 3.31Å; L21-V24 PolarHBondContact O-N 3.12Å; L21-K25 WeakPolarHBondContact O-CG 3.3Å; L21-K25 PolarHBondContact O-N 3.44Å; L21-K25 VanDerWaalsContact O-N 3.09Å; L21-Q86 HydrophobicContact CD1-CB 4.38Å; L21-Q86 HydrophobicContact CD1-CG 4.4Å |
| 22 | E | 94.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67 | -38.9 | 177.9 | -66.4 | -53.1 | 128.9 | 0 | 0 | 112.7 | Q18 E19 Q20 K25 N26 | Q18-E22 PolarHBondContact O-N 3.02Å; Q18-E22 VanDerWaalsContact O-N 3.14Å; E19-E22 PolarHBondContact O-N 3.49Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 2.94Å; E22-K25 IonicContact OE1-NZ 3.83Å; E22-K25 PolarHBondContact OE1-NZ 2.88Å; E22-K25 IonicContact OE2-NZ 2.71Å; E22-N26 PolarHBondContact O-N 2.7Å |
| 23 | L | 93.7 | Very high | 92 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 29% | 0.293 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176 | -72.3 | 170.9 | 0 | 0 | 0 | 112.4 | E19 Q20 K25 N26 T27 | E19-L23 HydrophobicContact CG-CD1 4.16Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.18Å; Q20-L23 PolarHBondContact O-N 3.26Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 2.85Å; L23-N26 PolarHBondContact O-N 2.89Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3.34Å |
| 24 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.5 | -28.1 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | L13 Q20 L21 T27 A28 Q86 L87 S90 | L13-V24 HydrophobicContact CD2-CG1 3.94Å; Q20-V24 HydrophobicContact CG-CG1 4.27Å; Q20-V24 WeakPolarHBondContact O-CG1 3.46Å; Q20-V24 VanDerWaalsContact O-CG2 3.29Å; Q20-V24 WeakPolarHBondContact O-CG2 3.33Å; Q20-V24 PolarHBondContact O-N 3.46Å; L21-V24 HydrophobicContact CD1-CG2 4.3Å; L21-V24 VanDerWaalsContact O-CG2 3.31Å; L21-V24 WeakPolarHBondContact O-CG2 3.31Å; L21-V24 PolarHBondContact O-N 3.12Å; V24-T27 PolarHBondContact O-N 3.42Å; V24-A28 VanDerWaalsContact O-CB 3.3Å; V24-A28 WeakPolarHBondContact O-CB 3.3Å; V24-A28 PolarHBondContact O-N 3.37Å; V24-Q86 HydrophobicContact CG2-CB 3.97Å; V24-L87 HydrophobicContact CB-CD2 3.9Å; V24-L87 HydrophobicContact CB-CG 4.49Å; V24-L87 HydrophobicContact CG1-CD2 3.68Å; V24-L87 HydrophobicContact CG1-CG 4.06Å; V24-S90 VanDerWaalsContact CG2-OG 3.31Å; V24-S90 WeakPolarHBondContact CG2-OG 3.36Å |
| 25 | K | 94.4 | Very high | 92.1 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 35% | 0.352 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 169.8 | -76.4 | 171.5 | -175.9 | 168.6 | 0 | 112.1 | L21 E22 L23 A28 K29 | L21-K25 WeakPolarHBondContact O-CG 3.3Å; L21-K25 PolarHBondContact O-N 3.44Å; L21-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 3.83Å; E22-K25 PolarHBondContact OE1-NZ 2.88Å; E22-K25 IonicContact OE2-NZ 2.71Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 2.85Å; K25-A28 PolarHBondContact O-N 3.05Å; K25-K29 PolarHBondContact O-N 2.66Å |
| 26 | N | 90.2 | Very high | 92.4 | Very high | 92 Ų | 92 | 44.3 Ų | 44.3 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 176.6 | -69.2 | -31.4 | 0 | 0 | 0 | 111.4 | E22 L23 A28 K29 | E22-N26 PolarHBondContact O-N 2.7Å; L23-N26 PolarHBondContact O-N 2.89Å; N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.45Å; N26-K29 WeakPolarHBondContact O-CB 3.31Å; N26-K29 PolarHBondContact O-N 2.82Å |
| 27 | T | 92.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | L8 A12 L23 V24 K29 S30 L31 L293 | L8-T27 HydrophobicContact CD1-CG2 4.08Å; L8-T27 HydrophobicContact CD2-CG2 3.9Å; A12-T27 HydrophobicContact CB-CG2 4.26Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3.34Å; V24-T27 PolarHBondContact O-N 3.42Å; T27-K29 VanDerWaalsContact C-N 3.32Å; T27-K29 PolarHBondContact O-N 2.81Å; T27-S30 PolarHBondContact O-N 3.31Å; T27-L31 HydrophobicContact CG2-CD1 3.85Å; T27-L31 HydrophobicContact CG2-CG 4.22Å; T27-L31 WeakPolarHBondContact O-CG 3.34Å; T27-L31 PolarHBondContact O-N 2.88Å; T27-L293 HydrophobicContact CG2-CD1 4.01Å; T27-L293 HydrophobicContact CG2-CD2 3.96Å; T27-L293 VanDerWaalsContact OG1-CD2 3.27Å; T27-L293 WeakPolarHBondContact OG1-CD2 3.41Å |
| 28 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V24 K25 N26 S30 L31 V32 L91 E94 | V24-A28 VanDerWaalsContact O-CB 3.3Å; V24-A28 WeakPolarHBondContact O-CB 3.3Å; V24-A28 PolarHBondContact O-N 3.37Å; K25-A28 PolarHBondContact O-N 3.05Å; N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.45Å; A28-S30 PolarHBondContact O-N 3.39Å; A28-L31 PolarHBondContact O-N 2.74Å; A28-V32 WeakPolarHBondContact O-CB 3.08Å; A28-V32 VanDerWaalsContact O-CG2 3.31Å; A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-L91 HydrophobicContact CB-CD2 3.91Å; A28-L91 HydrophobicContact CB-CG 4.12Å; A28-E94 HydrophobicContact CB-CB 4.35Å |
| 29 | K | 91.4 | Very high | 92.1 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.3 | -51.4 | 175.1 | -70.6 | 173.5 | 179 | 178.3 | 0 | 112.3 | K25 N26 T27 L31 V32 G33 E94 | K25-K29 PolarHBondContact O-N 2.66Å; N26-K29 WeakPolarHBondContact O-CB 3.31Å; N26-K29 PolarHBondContact O-N 2.82Å; T27-K29 VanDerWaalsContact C-N 3.32Å; T27-K29 PolarHBondContact O-N 2.81Å; K29-L31 VanDerWaalsContact C-N 3.35Å; K29-L31 PolarHBondContact O-N 3.02Å; K29-V32 PolarHBondContact O-N 3.26Å; K29-G33 PolarHBondContact O-N 3.43Å; K29-G33 VanDerWaalsContact O-N 3.15Å; K29-E94 VanDerWaalsContact CG-CD 3.48Å; K29-E94 HydrophobicContact CG-CG 4.23Å; K29-E94 WeakPolarHBondContact CG-OE2 3.42Å |
| 30 | S | 88.6 | Confident | 92 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | T27 A28 G33 | T27-S30 PolarHBondContact O-N 3.31Å; A28-S30 PolarHBondContact O-N 3.39Å; S30-G33 PolarHBondContact O-N 3.46Å |
| 31 | L | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70 | -37 | 178 | -65.8 | 177.3 | 0 | 0 | 0 | 112.7 | V6 L8 T27 A28 K29 G33 L34 I35 I43 L91 L296 | V6-L31 HydrophobicContact CB-CD2 4.38Å; V6-L31 HydrophobicContact CG1-CD2 3.86Å; V6-L31 HydrophobicContact CG2-CD2 4.39Å; L8-L31 HydrophobicContact CD1-CD1 4.35Å; L8-L31 HydrophobicContact CD2-CD1 4.23Å; L8-L31 HydrophobicContact CD2-CD2 4.42Å; T27-L31 HydrophobicContact CG2-CD1 3.85Å; T27-L31 HydrophobicContact CG2-CG 4.22Å; T27-L31 WeakPolarHBondContact O-CG 3.34Å; T27-L31 PolarHBondContact O-N 2.88Å; A28-L31 PolarHBondContact O-N 2.74Å; K29-L31 VanDerWaalsContact C-N 3.35Å; K29-L31 PolarHBondContact O-N 3.02Å; L31-G33 PolarHBondContact O-N 3.15Å; L31-L34 HydrophobicContact CD2-CD1 4.38Å; L31-L34 VanDerWaalsContact O-CB 3.31Å; L31-L34 WeakPolarHBondContact O-CB 3.42Å; L31-L34 PolarHBondContact O-N 3.37Å; L31-I35 PolarHBondContact O-N 2.81Å; L31-I43 HydrophobicContact CD1-CD1 3.8Å; L31-I43 HydrophobicContact CD1-CG1 4.36Å; L31-L91 HydrophobicContact CB-CD2 3.96Å; L31-L91 HydrophobicContact CD1-CD2 4.21Å; L31-L296 HydrophobicContact CD2-CD2 4.28Å |
| 32 | V | 92.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -31.5 | 174.6 | 168.2 | 0 | 0 | 0 | 0 | 111 | A28 K29 L34 I35 T36 L91 E94 L95 I98 | A28-V32 WeakPolarHBondContact O-CB 3.08Å; A28-V32 VanDerWaalsContact O-CG2 3.31Å; A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 3.46Å; K29-V32 PolarHBondContact O-N 3.26Å; V32-L34 PolarHBondContact O-N 3.38Å; V32-I35 HydrophobicContact CG2-CD1 4.31Å; V32-I35 PolarHBondContact O-N 3.33Å; V32-T36 HydrophobicContact CG1-CG2 4.11Å; V32-T36 WeakPolarHBondContact O-CG2 3.33Å; V32-T36 PolarHBondContact O-N 2.89Å; V32-T36 PolarHBondContact O-OG1 2.99Å; V32-L91 HydrophobicContact CG2-CD2 4.28Å; V32-E94 HydrophobicContact CB-CG 3.88Å; V32-E94 HydrophobicContact CG1-CG 4.16Å; V32-E94 HydrophobicContact CG2-CB 3.93Å; V32-E94 HydrophobicContact CG2-CG 3.66Å; V32-L95 HydrophobicContact CG1-CD2 4.05Å; V32-L95 HydrophobicContact CG2-CD2 3.92Å; V32-L95 HydrophobicContact CG2-CG 3.89Å; V32-I98 HydrophobicContact CG1-CD1 3.52Å |
| 33 | G | 87.9 | Confident | 92.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.4 | -32.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.1 | K29 S30 L31 T36 | K29-G33 PolarHBondContact O-N 3.43Å; K29-G33 VanDerWaalsContact O-N 3.15Å; S30-G33 PolarHBondContact O-N 3.46Å; L31-G33 PolarHBondContact O-N 3.15Å; G33-T36 PolarHBondContact O-OG1 3.26Å; G33-T36 VanDerWaalsContact O-OG1 3.12Å |
| 34 | L | 88.7 | Confident | 92.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.9 | -41.3 | 171.5 | -75.7 | 165.2 | 0 | 0 | 0 | 112.2 | I4 V6 L31 V32 T36 K37 H39 I41 I227 L296 L300 | I4-L34 HydrophobicContact CD1-CD2 4.02Å; V6-L34 HydrophobicContact CG2-CD1 4.11Å; L31-L34 HydrophobicContact CD2-CD1 4.38Å; L31-L34 VanDerWaalsContact O-CB 3.31Å; L31-L34 WeakPolarHBondContact O-CB 3.42Å; L31-L34 PolarHBondContact O-N 3.37Å; V32-L34 PolarHBondContact O-N 3.38Å; L34-T36 PolarHBondContact O-N 3.32Å; L34-K37 PolarHBondContact O-N 3.23Å; L34-H39 PolarHBondContact O-CD2 3.26Å; L34-H39 VanDerWaalsContact O-CD2 3.26Å; L34-I41 HydrophobicContact CB-CD1 3.31Å; L34-I41 HydrophobicContact CD1-CD1 4.25Å; L34-I41 HydrophobicContact CG-CD1 4.37Å; L34-I227 HydrophobicContact CD1-CD1 4.45Å; L34-L296 HydrophobicContact CD1-CD2 4.14Å; L34-L300 HydrophobicContact CD1-CD1 4.37Å; L34-L300 HydrophobicContact CD2-CD1 3.2Å; L34-L300 HydrophobicContact CD2-CD2 3.53Å; L34-L300 HydrophobicContact CD2-CG 3.96Å; L34-L300 HydrophobicContact CG-CD1 3.67Å |
| 35 | I | 91 | Very high | 92.6 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | -177.2 | -60 | 172.1 | 0 | 0 | 0 | 110.4 | L31 V32 K37 G38 I41 L95 M100 K102 L182 | L31-I35 PolarHBondContact O-N 2.81Å; V32-I35 HydrophobicContact CG2-CD1 4.31Å; V32-I35 PolarHBondContact O-N 3.33Å; I35-K37 PolarHBondContact O-N 3.38Å; I35-G38 WeakPolarHBondContact O-CA 3.24Å; I35-G38 PolarHBondContact O-N 2.89Å; I35-I41 HydrophobicContact CB-CD1 4.46Å; I35-I41 HydrophobicContact CG1-CD1 3.48Å; I35-I41 VanDerWaalsContact CG1-CD1 3.48Å; I35-I41 HydrophobicContact CG1-CG1 4.38Å; I35-L95 HydrophobicContact CD1-CD2 4.16Å; I35-L95 HydrophobicContact CG2-CD2 4.12Å; I35-M100 HydrophobicContact CG2-SD 3.81Å; I35-K102 HydrophobicContact CG2-CD 3.64Å; I35-L182 HydrophobicContact CD1-CD1 3.98Å; I35-L182 HydrophobicContact CD1-CD2 3.49Å; I35-L182 VanDerWaalsContact CD1-CD2 3.49Å; I35-L182 HydrophobicContact CD1-CG 4.28Å |
| 36 | T | 90.4 | Very high | 92.5 | Very high | 74 Ų | 74 | 28.1 Ų | 28.1 | 45% | 0.454 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.8 | -21.8 | 179.5 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | V32 G33 L34 G38 I98 M100 | V32-T36 HydrophobicContact CG1-CG2 4.11Å; V32-T36 WeakPolarHBondContact O-CG2 3.33Å; V32-T36 PolarHBondContact O-N 2.89Å; V32-T36 PolarHBondContact O-OG1 2.99Å; G33-T36 PolarHBondContact O-OG1 3.26Å; G33-T36 VanDerWaalsContact O-OG1 3.12Å; L34-T36 PolarHBondContact O-N 3.32Å; T36-G38 PolarHBondContact O-N 3.07Å; T36-I98 HydrophobicContact CG2-CD1 3.48Å; T36-I98 VanDerWaalsContact CG2-CD1 3.48Å; T36-M100 HydrophobicContact CG2-CE 3.97Å |
| 37 | K | 88.9 | Confident | 92.6 | Very high | 103 Ų | 103 | 24.2 Ų | 24.2 | 45% | 0.448 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 3 | 172 | -66.4 | 173.1 | -178.1 | 173.6 | 0 | 113.1 | L34 I35 | L34-K37 PolarHBondContact O-N 3.23Å; I35-K37 PolarHBondContact O-N 3.38Å |
| 38 | G | 90.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 31% | 0.309 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 35 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 I35 T36 | M1-G38 WeakPolarHBondContact CB-O 3.31Å; M1-G38 WeakPolarHBondContact CE-O 3.42Å; M1-G38 WeakPolarHBondContact CG-O 3.32Å; I35-G38 WeakPolarHBondContact O-CA 3.24Å; I35-G38 PolarHBondContact O-N 2.89Å; T36-G38 PolarHBondContact O-N 3.07Å |
| 39 | H | 92.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 28 Ų | 28 | 19% | 0.185 | 16% | 0.163 | C | C | . | . | trans | -88.3 | 144.1 | 173 | -65.3 | -65.7 | 0 | 0 | 0 | 111.3 | A2 I4 L34 I41 | A2-H39 WeakPolarHBondContact CB-ND1 3.11Å; A2-H39 PolarHBondContact N-ND1 2.99Å; A2-H39 VanDerWaalsContact N-ND1 3.18Å; A2-H39 WeakPolarHBondContact O-CA 3.36Å; A2-H39 WeakPolarHBondContact O-CB 3.44Å; A2-H39 PolarHBondContact O-ND1 3.01Å; I4-H39 HydrophobicContact CD1-CB 3.92Å; I4-H39 HydrophobicContact CG1-CB 4.44Å; L34-H39 PolarHBondContact O-CD2 3.26Å; L34-H39 VanDerWaalsContact O-CD2 3.26Å; H39-I41 HydrophobicContact CB-CD1 4.48Å; H39-I41 HydrophobicContact CB-CG1 4.12Å | ||
| 40 | E | 93.6 | Very high | 92.2 | Very high | 57 Ų | 57 | 23 Ų | 23 | 27% | 0.266 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.9 | 166.7 | -70.6 | 179 | 173.1 | 0 | 0 | 108 | A2 K3 I4 I177 | A2-E40 PolarHBondContact O-N 3.4Å; K3-E40 CarbonylContact C-O 3.53Å; K3-E40 WeakPolarHBondContact CA-O 3.49Å; K3-E40 HydrophobicContact CB-CB 4.37Å; K3-E40 WeakPolarHBondContact CE-OE2 3.39Å; K3-E40 HydrophobicContact CG-CB 4.26Å; I4-E40 PolarHBondContact N-O 3.18Å; E40-I177 HydrophobicContact CB-CG2 3.9Å; E40-I177 HydrophobicContact CG-CG2 4.23Å |
| 41 | I | 94.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.4 | -171.5 | -49.6 | -177 | 0 | 0 | 0 | 111.3 | I4 V6 L34 I35 H39 I43 L182 | I4-I41 WeakPolarHBondContact O-CA 3.28Å; V6-I41 HydrophobicContact CG2-CG2 3.98Å; L34-I41 HydrophobicContact CB-CD1 3.31Å; L34-I41 HydrophobicContact CD1-CD1 4.25Å; L34-I41 HydrophobicContact CG-CD1 4.37Å; I35-I41 HydrophobicContact CB-CD1 4.46Å; I35-I41 HydrophobicContact CG1-CD1 3.48Å; I35-I41 VanDerWaalsContact CG1-CD1 3.48Å; I35-I41 HydrophobicContact CG1-CG1 4.38Å; H39-I41 HydrophobicContact CB-CD1 4.48Å; H39-I41 HydrophobicContact CB-CG1 4.12Å; I41-I43 HydrophobicContact CG2-CG1 3.98Å; I41-L182 HydrophobicContact CB-CD1 3.78Å; I41-L182 HydrophobicContact CG2-CD1 4.16Å |
| 42 | V | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.7 | 162 | -165.3 | 0 | 0 | 0 | 0 | 109 | I4 V5 V6 I173 I177 V183 A185 L217 I221 | I4-V42 PolarHBondContact O-N 3.47Å; V5-V42 CarbonylContact C-O 3.56Å; V5-V42 WeakPolarHBondContact CA-O 3.19Å; V5-V42 HydrophobicContact CG2-CB 4.32Å; V6-V42 PolarHBondContact N-O 3.01Å; V42-I173 HydrophobicContact CG1-CG2 4.37Å; V42-I173 HydrophobicContact CG2-CG2 4.49Å; V42-I177 HydrophobicContact CG2-CD1 3.12Å; V42-I177 HydrophobicContact CG2-CG1 3.68Å; V42-V183 CarbonylContact C-O 3.57Å; V42-V183 WeakPolarHBondContact CA-O 3.45Å; V42-V183 HydrophobicContact CG1-CB 4.23Å; V42-V183 HydrophobicContact CG1-CG1 4.34Å; V42-A185 HydrophobicContact CG1-CB 4.46Å; V42-L217 HydrophobicContact CB-CD2 4.46Å; V42-L217 HydrophobicContact CG1-CD2 3.8Å; V42-I221 HydrophobicContact CG2-CD1 3.84Å |
| 43 | I | 98.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.8 | -180 | -59.8 | 163.6 | 0 | 0 | 0 | 108.2 | V6 L8 L31 I41 L91 L182 V183 I184 A185 | V6-I43 WeakPolarHBondContact O-CA 3.33Å; L8-I43 HydrophobicContact CD1-CG2 3.71Å; L8-I43 HydrophobicContact CG-CG2 3.94Å; L31-I43 HydrophobicContact CD1-CD1 3.8Å; L31-I43 HydrophobicContact CD1-CG1 4.36Å; I41-I43 HydrophobicContact CG2-CG1 3.98Å; I43-L91 HydrophobicContact CD1-CD1 3.58Å; I43-L91 HydrophobicContact CD1-CD2 4.42Å; I43-L182 HydrophobicContact CD1-CD1 3.91Å; I43-L182 HydrophobicContact CD1-CD2 4.24Å; I43-L182 HydrophobicContact CD1-CG 4.25Å; I43-L182 HydrophobicContact CG1-CD1 4.41Å; I43-V183 PolarHBondContact N-O 2.96Å; I43-I184 HydrophobicContact CB-CG1 4.27Å; I43-I184 HydrophobicContact CD1-CG1 4.49Å; I43-I184 CarbonylContact O-C 3.57Å; I43-I184 VanDerWaalsContact O-CA 3.27Å; I43-I184 WeakPolarHBondContact O-CA 3.28Å; I43-A185 PolarHBondContact O-N 2.88Å |
| 44 | S | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 166.1 | 163.9 | 73.3 | 0 | 0 | 0 | 0 | 109.4 | V6 A7 L8 A185 S214 | V6-S44 PolarHBondContact O-N 3.42Å; A7-S44 WeakPolarHBondContact CA-OG 3.33Å; L8-S44 WeakPolarHBondContact CB-O 3.41Å; L8-S44 WeakPolarHBondContact CG-O 3.29Å; L8-S44 PolarHBondContact N-O 3.11Å; S44-A185 VanDerWaalsContact CA-O 3.31Å; S44-A185 WeakPolarHBondContact CA-O 3.34Å; S44-A185 WeakPolarHBondContact CB-O 3.48Å; S44-S214 PolarHBondContact OG-OG 2.95Å |
| 45 | H | 96.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 160.1 | -179.8 | 62 | 80.9 | 0 | 0 | 0 | 111.3 | L8 L13 I83 L87 G187 G188 | L8-H45 HydrophobicContact CB-CB 3.99Å; L8-H45 HydrophobicContact CD1-CB 4.47Å; L13-H45 HydrophobicContact CD1-CB 4.44Å; H45-I83 VanDerWaalsContact CE1-CB 3.46Å; H45-I83 WeakPolarHBondContact CE1-CB 3.44Å; H45-I83 VanDerWaalsContact CE1-CG2 3.42Å; H45-I83 WeakPolarHBondContact CE1-CG2 3.42Å; H45-I83 WeakPolarHBondContact ND1-CG2 3.32Å; H45-L87 HydrophobicContact CB-CD1 4.39Å; H45-G187 WeakPolarHBondContact CE1-CA 3.36Å; H45-G187 WeakPolarHBondContact NE2-CA 3.31Å; H45-G188 WeakPolarHBondContact O-CA 3.39Å; H45-G188 PolarHBondContact O-N 3.03Å |
| 46 | G | 92.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | trans | -76.7 | 171.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 L13 | L8-G46 PolarHBondContact O-N 3.25Å; L13-G46 WeakPolarHBondContact CD1-O 3.45Å | ||
| 47 | N | 93.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | trans | -143.2 | 6.6 | 176.2 | 68.8 | -15.5 | 0 | 0 | 0 | 114 | Q50 V51 S79 I83 G188 | N47-Q50 CarbonylContact O-C 3.59Å; N47-Q50 WeakPolarHBondContact O-CA 3.47Å; N47-Q50 PolarHBondContact O-N 3.07Å; N47-Q50 PolarHBondContact O-OE1 3.04Å; N47-Q50 VanDerWaalsContact O-OE1 3.13Å; N47-V51 HydrophobicContact CB-CB 4.5Å; N47-V51 WeakPolarHBondContact O-CG1 3.35Å; N47-V51 PolarHBondContact O-N 3.46Å; N47-S79 PolarHBondContact ND2-OG 3.26Å; N47-I83 HydrophobicContact CB-CD1 3.76Å; N47-G188 WeakPolarHBondContact OD1-CA 3.29Å | ||
| 48 | G | 88.2 | Confident | 93.2 | Very high | 20 Ų | 20 | 24.5 Ų | 24.5 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -51.3 | -52.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G52 | G48-G52 PolarHBondContact O-N 3.2Å |
| 49 | P | 87.6 | Confident | 93.2 | Very high | 60 Ų | 60 | 24.5 Ų | 24.5 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.3 | -24.7 | 35 | 0 | 0 | 0 | 113.4 | S53 | P49-S53 WeakPolarHBondContact O-CB 3.41Å; P49-S53 PolarHBondContact O-N 3.14Å; P49-S53 PolarHBondContact O-OG 3.33Å |
| 50 | Q | 93 | Very high | 93.2 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.6 | -52.5 | -175 | -62.3 | 76.6 | 14.6 | 0 | 0 | 111.5 | G14 Q20 N47 G52 S53 I54 Y82 I83 | G14-Q50 PolarHBondContact O-NE2 2.92Å; G14-Q50 VanDerWaalsContact O-NE2 3.09Å; Q20-Q50 VanDerWaalsContact OE1-CG 3.27Å; N47-Q50 CarbonylContact O-C 3.59Å; N47-Q50 WeakPolarHBondContact O-CA 3.47Å; N47-Q50 PolarHBondContact O-N 3.07Å; N47-Q50 PolarHBondContact O-OE1 3.04Å; N47-Q50 VanDerWaalsContact O-OE1 3.13Å; Q50-G52 VanDerWaalsContact C-N 3.26Å; Q50-G52 PolarHBondContact O-N 3.27Å; Q50-S53 PolarHBondContact O-N 3.41Å; Q50-S53 VanDerWaalsContact O-N 3.14Å; Q50-I54 WeakPolarHBondContact O-CG1 3.11Å; Q50-I54 PolarHBondContact O-N 3.03Å; Q50-Y82 HydrophobicContact CB-CD1 4.23Å; Q50-Y82 HydrophobicContact CB-CE1 4.13Å; Q50-Y82 HydrophobicContact CG-CD1 4.2Å; Q50-Y82 HydrophobicContact CG-CE1 3.73Å; Q50-I83 HydrophobicContact CB-CD1 3.98Å; Q50-I83 HydrophobicContact CB-CG1 4.38Å; Q50-I83 HydrophobicContact CG-CD1 3.79Å; Q50-I83 HydrophobicContact CG-CG1 3.93Å |
| 51 | V | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.5 | 72.1 | 0 | 0 | 0 | 0 | 111.3 | N47 I54 N55 F72 C75 | N47-V51 HydrophobicContact CB-CB 4.5Å; N47-V51 WeakPolarHBondContact O-CG1 3.35Å; N47-V51 PolarHBondContact O-N 3.46Å; V51-I54 PolarHBondContact O-N 2.94Å; V51-N55 VanDerWaalsContact O-CB 3.3Å; V51-N55 WeakPolarHBondContact O-CB 3.18Å; V51-N55 PolarHBondContact O-N 3Å; V51-F72 HydrophobicContact CB-CZ 4.49Å; V51-F72 HydrophobicContact CG1-CE1 4.39Å; V51-F72 HydrophobicContact CG1-CZ 4.01Å; V51-F72 HydrophobicContact CG2-CE1 3.81Å; V51-F72 HydrophobicContact CG2-CE2 4.41Å; V51-F72 HydrophobicContact CG2-CZ 3.7Å; V51-C75 HydrophobicContact CG2-CB 3.89Å |
| 52 | G | 90.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | G48 Q50 L56 | G48-G52 PolarHBondContact O-N 3.2Å; Q50-G52 VanDerWaalsContact C-N 3.26Å; Q50-G52 PolarHBondContact O-N 3.27Å; G52-L56 VanDerWaalsContact O-CB 3.27Å; G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.39Å |
| 53 | S | 90.7 | Very high | 93 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 41% | 0.413 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 176.8 | -57 | 0 | 0 | 0 | 0 | 112 | P49 Q50 L56 G57 | P49-S53 WeakPolarHBondContact O-CB 3.41Å; P49-S53 PolarHBondContact O-N 3.14Å; P49-S53 PolarHBondContact O-OG 3.33Å; Q50-S53 PolarHBondContact O-N 3.41Å; Q50-S53 VanDerWaalsContact O-N 3.14Å; S53-L56 PolarHBondContact O-N 3.35Å; S53-G57 PolarHBondContact O-N 2.85Å |
| 54 | I | 94.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | 174.2 | -68.9 | 164.1 | 0 | 0 | 0 | 109.9 | Q50 V51 L56 G57 L58 C75 M78 | Q50-I54 WeakPolarHBondContact O-CG1 3.11Å; Q50-I54 PolarHBondContact O-N 3.03Å; V51-I54 PolarHBondContact O-N 2.94Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 3.09Å; I54-G57 PolarHBondContact O-N 2.97Å; I54-L58 HydrophobicContact CG2-CD1 3.73Å; I54-L58 HydrophobicContact CG2-CG 4.4Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.3Å; I54-C75 HydrophobicContact CG2-CB 4.06Å; I54-M78 HydrophobicContact CD1-CB 4.2Å; I54-M78 HydrophobicContact CG2-CB 4.33Å; I54-M78 HydrophobicContact CG2-SD 3.97Å |
| 55 | N | 93.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | -179.3 | -174.4 | -114.9 | 0 | 0 | 0 | 111.9 | V51 N59 F72 C75 R157 | V51-N55 VanDerWaalsContact O-CB 3.3Å; V51-N55 WeakPolarHBondContact O-CB 3.18Å; V51-N55 PolarHBondContact O-N 3Å; N55-N59 VanDerWaalsContact O-CB 3.28Å; N55-N59 WeakPolarHBondContact O-CB 3.15Å; N55-N59 PolarHBondContact O-N 3.44Å; N55-N59 PolarHBondContact O-ND2 3.2Å; N55-N59 PolarHBondContact OD1-ND2 3.49Å; N55-F72 HydrophobicContact CB-CD2 4.11Å; N55-F72 HydrophobicContact CB-CE2 3.76Å; N55-C75 HydrophobicContact CB-CB 4.33Å; N55-C75 PolarHBondContact ND2-SG 3.02Å; N55-C75 VanDerWaalsContact ND2-SG 3.44Å; N55-R157 PolarHBondContact OD1-NH1 2.92Å |
| 56 | L | 90.2 | Very high | 92.7 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 176.3 | 179.7 | 62.9 | 0 | 0 | 0 | 111.6 | G52 S53 I54 Y60 L129 | G52-L56 VanDerWaalsContact O-CB 3.27Å; G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.39Å; S53-L56 PolarHBondContact O-N 3.35Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 3.09Å; L56-Y60 WeakPolarHBondContact O-CB 3.26Å; L56-Y60 PolarHBondContact O-N 3.48Å; L56-L129 HydrophobicContact CD2-CD1 3.6Å; L56-L129 HydrophobicContact CD2-CG 4.32Å |
| 57 | G | 93.8 | Very high | 92.8 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 I54 Y60 A61 | S53-G57 PolarHBondContact O-N 2.85Å; I54-G57 PolarHBondContact O-N 2.97Å; G57-Y60 PolarHBondContact O-N 3.33Å; G57-A61 PolarHBondContact O-N 3.17Å |
| 58 | L | 95.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 178.7 | -67.7 | 174.2 | 0 | 0 | 0 | 112.1 | I54 Y60 A61 A62 F70 M78 | I54-L58 HydrophobicContact CG2-CD1 3.73Å; I54-L58 HydrophobicContact CG2-CG 4.4Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.3Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-A61 PolarHBondContact O-N 3.48Å; L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.41Å; L58-F70 HydrophobicContact CB-CD2 4.32Å; L58-F70 HydrophobicContact CD1-CB 3.97Å; L58-F70 HydrophobicContact CD1-CD2 3.99Å; L58-F70 HydrophobicContact CD1-CG 4.01Å; L58-F70 HydrophobicContact CD2-CD2 3.96Å; L58-F70 HydrophobicContact CD2-CE2 4.11Å; L58-F70 HydrophobicContact CG-CD2 4.32Å; L58-M78 HydrophobicContact CD1-CE 4.1Å; L58-M78 HydrophobicContact CD1-SD 3.81Å |
| 59 | N | 90.7 | Very high | 93 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 16% | 0.16 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.4 | -71.6 | -18.4 | 0 | 0 | 0 | 111.3 | N55 A61 A62 E63 | N55-N59 VanDerWaalsContact O-CB 3.28Å; N55-N59 WeakPolarHBondContact O-CB 3.15Å; N55-N59 PolarHBondContact O-N 3.44Å; N55-N59 PolarHBondContact O-ND2 3.2Å; N55-N59 PolarHBondContact OD1-ND2 3.49Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.62Å; N59-A62 PolarHBondContact O-N 2.96Å; N59-E63 WeakPolarHBondContact O-CB 3.34Å; N59-E63 VanDerWaalsContact O-CG 3.26Å; N59-E63 WeakPolarHBondContact O-CG 3.39Å; N59-E63 PolarHBondContact O-N 3.45Å |
| 60 | Y | 92.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 60.3 Ų | 60.3 | 57% | 0.569 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 176.6 | -176.6 | -89.7 | 0 | 0 | 0 | 111.4 | L56 G57 L58 A62 E63 H64 | L56-Y60 WeakPolarHBondContact O-CB 3.26Å; L56-Y60 PolarHBondContact O-N 3.48Å; G57-Y60 PolarHBondContact O-N 3.33Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; Y60-A62 PolarHBondContact O-N 2.88Å; Y60-E63 PolarHBondContact O-N 3.34Å; Y60-H64 AromaticContact CD2-CE1 3.68Å; Y60-H64 AromaticContact CD2-ND1 3.91Å; Y60-H64 AromaticContact CE1-ND1 3.93Å; Y60-H64 AromaticContact CE2-CE1 3.27Å; Y60-H64 WeakPolarHBondContact CE2-CE1 3.27Å; Y60-H64 AromaticContact CE2-ND1 3.78Å; Y60-H64 AromaticContact CE2-NE2 3.91Å; Y60-H64 AromaticContact CZ-CE1 3.54Å; Y60-H64 AromaticContact CZ-ND1 3.78Å; Y60-H64 AromaticContact CZ-NE2 3.88Å; Y60-H64 PolarHBondContact O-N 3.43Å; Y60-H64 PolarHBondContact O-ND1 3.41Å |
| 61 | A | 96.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G57 L58 N59 H64 N65 Q66 G67 | G57-A61 PolarHBondContact O-N 3.17Å; L58-A61 PolarHBondContact O-N 3.48Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.62Å; A61-H64 PolarHBondContact O-N 2.79Å; A61-N65 PolarHBondContact O-N 3.03Å; A61-Q66 HydrophobicContact CB-CB 4.25Å; A61-Q66 WeakPolarHBondContact O-CA 3.32Å; A61-Q66 PolarHBondContact O-N 3.45Å; A61-G67 PolarHBondContact O-N 2.95Å |
| 62 | A | 93.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 N59 Y60 H64 N65 G67 A69 | L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.41Å; N59-A62 PolarHBondContact O-N 2.96Å; Y60-A62 PolarHBondContact O-N 2.88Å; A62-H64 PolarHBondContact O-N 3.26Å; A62-N65 PolarHBondContact O-N 2.95Å; A62-N65 VanDerWaalsContact O-N 3.12Å; A62-G67 WeakPolarHBondContact CA-O 3.42Å; A62-A69 HydrophobicContact CB-CB 4.08Å |
| 63 | E | 91.9 | Very high | 93.4 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -23.3 | 179.6 | -72.9 | 166.3 | -164 | 0 | 0 | 113 | N59 Y60 K143 | N59-E63 WeakPolarHBondContact O-CB 3.34Å; N59-E63 VanDerWaalsContact O-CG 3.26Å; N59-E63 WeakPolarHBondContact O-CG 3.39Å; N59-E63 PolarHBondContact O-N 3.45Å; Y60-E63 PolarHBondContact O-N 3.34Å; E63-K143 WeakPolarHBondContact OE1-CE 3.47Å; E63-K143 IonicContact OE1-NZ 3.41Å; E63-K143 PolarHBondContact OE1-NZ 3.33Å; E63-K143 IonicContact OE2-NZ 3.98Å; E63-K143 PolarHBondContact OE2-NZ 3.33Å |
| 64 | H | 95.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 17.8 | 178.4 | -64.2 | 78.4 | 0 | 0 | 0 | 113.3 | Y60 A61 A62 Q66 | Y60-H64 AromaticContact CD2-CE1 3.68Å; Y60-H64 AromaticContact CD2-ND1 3.91Å; Y60-H64 AromaticContact CE1-ND1 3.93Å; Y60-H64 AromaticContact CE2-CE1 3.27Å; Y60-H64 WeakPolarHBondContact CE2-CE1 3.27Å; Y60-H64 AromaticContact CE2-ND1 3.78Å; Y60-H64 AromaticContact CE2-NE2 3.91Å; Y60-H64 AromaticContact CZ-CE1 3.54Å; Y60-H64 AromaticContact CZ-ND1 3.78Å; Y60-H64 AromaticContact CZ-NE2 3.88Å; Y60-H64 PolarHBondContact O-N 3.43Å; Y60-H64 PolarHBondContact O-ND1 3.41Å; A61-H64 PolarHBondContact O-N 2.79Å; A62-H64 PolarHBondContact O-N 3.26Å; H64-Q66 HydrophobicContact CB-CG 4.16Å; H64-Q66 WeakPolarHBondContact O-CG 3.36Å; H64-Q66 PolarHBondContact O-N 3.28Å; H64-Q66 VanDerWaalsContact O-N 3.14Å; H64-Q66 PolarHBondContact O-NE2 3.38Å; H64-Q66 VanDerWaalsContact O-NE2 3.09Å |
| 65 | N | 94.5 | Very high | 93.8 | Very high | 152 Ų | 152 | 62.5 Ų | 62.5 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.3 | -178.7 | -58.6 | -68.5 | 0 | 0 | 0 | 113.7 | A61 A62 | A61-N65 PolarHBondContact O-N 3.03Å; A62-N65 PolarHBondContact O-N 2.95Å; A62-N65 VanDerWaalsContact O-N 3.12Å |
| 66 | Q | 96.3 | Very high | 93.9 | Very high | 160 Ų | 160 | 62.4 Ų | 62.4 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -97.7 | -2.9 | 176.6 | -58.1 | -56.3 | -61 | 0 | 0 | 112.5 | A61 H64 | A61-Q66 HydrophobicContact CB-CB 4.25Å; A61-Q66 WeakPolarHBondContact O-CA 3.32Å; A61-Q66 PolarHBondContact O-N 3.45Å; H64-Q66 HydrophobicContact CB-CG 4.16Å; H64-Q66 WeakPolarHBondContact O-CG 3.36Å; H64-Q66 PolarHBondContact O-N 3.28Å; H64-Q66 VanDerWaalsContact O-N 3.14Å; H64-Q66 PolarHBondContact O-NE2 3.38Å; H64-Q66 VanDerWaalsContact O-NE2 3.09Å |
| 67 | G | 93.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -179.1 | 176.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A61 A62 | A61-G67 PolarHBondContact O-N 2.95Å; A62-G67 WeakPolarHBondContact CA-O 3.42Å |
| 68 | P | 94.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | trans | -78.1 | 159.6 | 174.2 | 32.7 | -33 | 0 | 0 | 0 | 111.4 | F70 | P68-F70 HydrophobicContact CG-CD2 4.36Å; P68-F70 HydrophobicContact CG-CE2 3.64Å; P68-F70 HydrophobicContact CG-CZ 4.01Å; P68-F70 WeakPolarHBondContact O-CD2 3.27Å | ||
| 69 | A | 90.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 63% | 0.628 | 33% | 0.33 | S | S | * | . | trans | -72.3 | 137 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A62 | A62-A69 HydrophobicContact CB-CB 4.08Š| ||
| 70 | F | 93.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.303 | 32% | 0.323 | S | S | . | . | trans | -108.5 | 133.5 | 175 | -77.1 | -95.2 | 0 | 0 | 0 | 109.5 | L58 P68 E74 M78 | L58-F70 HydrophobicContact CB-CD2 4.32Å; L58-F70 HydrophobicContact CD1-CB 3.97Å; L58-F70 HydrophobicContact CD1-CD2 3.99Å; L58-F70 HydrophobicContact CD1-CG 4.01Å; L58-F70 HydrophobicContact CD2-CD2 3.96Å; L58-F70 HydrophobicContact CD2-CE2 4.11Å; L58-F70 HydrophobicContact CG-CD2 4.32Å; P68-F70 HydrophobicContact CG-CD2 4.36Å; P68-F70 HydrophobicContact CG-CE2 3.64Å; P68-F70 HydrophobicContact CG-CZ 4.01Å; P68-F70 WeakPolarHBondContact O-CD2 3.27Å; F70-E74 HydrophobicContact CD1-CB 4.2Å; F70-M78 HydrophobicContact CD1-CE 3.82Å; F70-M78 HydrophobicContact CE1-CE 3.83Å; F70-M78 HydrophobicContact CG-CE 4.42Å; F70-M78 HydrophobicContact CZ-CE 4.43Å | ||
| 71 | P | 92.2 | Very high | 95.2 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -62.1 | 161.7 | 169.5 | -7.4 | 19.6 | 0 | 0 | 0 | 111.2 | A73 E74 C75 | P71-A73 VanDerWaalsContact C-N 3.29Å; P71-A73 PolarHBondContact O-N 3.43Å; P71-E74 WeakPolarHBondContact CB-OE2 3.41Å; P71-E74 VanDerWaalsContact CD-OE2 3.24Å; P71-E74 WeakPolarHBondContact CD-OE2 3.24Å; P71-E74 WeakPolarHBondContact CG-OE2 3.43Å; P71-E74 PolarHBondContact O-N 3.47Å; P71-C75 PolarHBondContact O-N 3.46Å; P71-C75 PolarHBondContact O-SG 3.43Å; P71-C75 VanDerWaalsContact O-SG 3.39Å | ||
| 72 | F | 91.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.2 | -29.2 | -173 | -159.1 | -91.9 | 0 | 0 | 0 | 111.8 | V51 N55 E74 C75 G76 I127 D205 V207 | V51-F72 HydrophobicContact CB-CZ 4.49Å; V51-F72 HydrophobicContact CG1-CE1 4.39Å; V51-F72 HydrophobicContact CG1-CZ 4.01Å; V51-F72 HydrophobicContact CG2-CE1 3.81Å; V51-F72 HydrophobicContact CG2-CE2 4.41Å; V51-F72 HydrophobicContact CG2-CZ 3.7Å; N55-F72 HydrophobicContact CB-CD2 4.11Å; N55-F72 HydrophobicContact CB-CE2 3.76Å; F72-E74 PolarHBondContact O-N 3.37Å; F72-C75 WeakPolarHBondContact O-CB 3.25Å; F72-C75 PolarHBondContact O-N 2.78Å; F72-G76 PolarHBondContact O-N 2.96Å; F72-I127 HydrophobicContact CD2-CD1 4.49Å; F72-I127 HydrophobicContact CE2-CD1 3.44Å; F72-I127 VanDerWaalsContact CE2-CD1 3.44Å; F72-I127 HydrophobicContact CZ-CD1 3.46Å; F72-I127 VanDerWaalsContact CZ-CD1 3.46Å; F72-I127 HydrophobicContact CZ-CG2 4.35Å; F72-D205 WeakPolarHBondContact CA-OD1 3.34Å; F72-D205 HydrophobicContact CB-CB 3.94Å; F72-D205 VanDerWaalsContact CB-OD1 3.27Å; F72-D205 WeakPolarHBondContact CB-OD1 3.49Å; F72-D205 PolarHBondContact N-OD1 3.28Å; F72-V207 HydrophobicContact CD1-CG2 4.17Å; F72-V207 HydrophobicContact CE1-CG2 3.32Å; F72-V207 HydrophobicContact CZ-CG2 4.09Å |
| 73 | A | 95.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P71 G76 A77 I191 | P71-A73 VanDerWaalsContact C-N 3.29Å; P71-A73 PolarHBondContact O-N 3.43Å; A73-G76 CarbonylContact O-C 3.57Å; A73-G76 WeakPolarHBondContact O-CA 3.19Å; A73-G76 PolarHBondContact O-N 3.1Å; A73-G76 VanDerWaalsContact O-N 3.09Å; A73-A77 PolarHBondContact O-N 2.81Å; A73-I191 HydrophobicContact CB-CG2 4.07Å |
| 74 | E | 96.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 176.4 | -72.4 | 75.7 | -178.2 | 0 | 0 | 111.3 | F70 P71 F72 G76 A77 M78 | F70-E74 HydrophobicContact CD1-CB 4.2Å; P71-E74 WeakPolarHBondContact CB-OE2 3.41Å; P71-E74 VanDerWaalsContact CD-OE2 3.24Å; P71-E74 WeakPolarHBondContact CD-OE2 3.24Å; P71-E74 WeakPolarHBondContact CG-OE2 3.43Å; P71-E74 PolarHBondContact O-N 3.47Å; F72-E74 PolarHBondContact O-N 3.37Å; E74-G76 PolarHBondContact O-N 3.49Å; E74-A77 WeakPolarHBondContact O-CB 3.4Å; E74-A77 PolarHBondContact O-N 2.88Å; E74-M78 VanDerWaalsContact O-CG 3.32Å; E74-M78 WeakPolarHBondContact O-CG 3.21Å; E74-M78 PolarHBondContact O-N 3.42Å |
| 75 | C | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 171.7 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | V51 I54 N55 P71 F72 M78 S79 | V51-C75 HydrophobicContact CG2-CB 3.89Å; I54-C75 HydrophobicContact CG2-CB 4.06Å; N55-C75 HydrophobicContact CB-CB 4.33Å; N55-C75 PolarHBondContact ND2-SG 3.02Å; N55-C75 VanDerWaalsContact ND2-SG 3.44Å; P71-C75 PolarHBondContact O-N 3.46Å; P71-C75 PolarHBondContact O-SG 3.43Å; P71-C75 VanDerWaalsContact O-SG 3.39Å; F72-C75 WeakPolarHBondContact O-CB 3.25Å; F72-C75 PolarHBondContact O-N 2.78Å; C75-M78 PolarHBondContact O-N 2.93Å; C75-S79 PolarHBondContact O-N 3.29Å |
| 76 | G | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F72 A73 E74 M78 S79 Q80 | F72-G76 PolarHBondContact O-N 2.96Å; A73-G76 CarbonylContact O-C 3.57Å; A73-G76 WeakPolarHBondContact O-CA 3.19Å; A73-G76 PolarHBondContact O-N 3.1Å; A73-G76 VanDerWaalsContact O-N 3.09Å; E74-G76 PolarHBondContact O-N 3.49Å; G76-M78 PolarHBondContact O-N 2.79Å; G76-S79 WeakPolarHBondContact O-CB 3.41Å; G76-S79 PolarHBondContact O-N 2.98Å; G76-S79 VanDerWaalsContact O-N 3.15Å; G76-S79 PolarHBondContact O-OG 3.37Å; G76-Q80 PolarHBondContact O-N 2.94Å; G76-Q80 VanDerWaalsContact O-N 3.1Å |
| 77 | A | 97.9 | Very high | 96 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A73 E74 S79 Q80 A81 I191 | A73-A77 PolarHBondContact O-N 2.81Å; E74-A77 WeakPolarHBondContact O-CB 3.4Å; E74-A77 PolarHBondContact O-N 2.88Å; A77-S79 VanDerWaalsContact C-N 3.27Å; A77-S79 PolarHBondContact O-N 2.84Å; A77-Q80 WeakPolarHBondContact O-CB 3.4Å; A77-Q80 PolarHBondContact O-N 2.81Å; A77-Q80 VanDerWaalsContact O-N 3.16Å; A77-A81 PolarHBondContact O-N 2.92Å; A77-I191 HydrophobicContact CB-CD1 3.52Å; A77-I191 HydrophobicContact CB-CG1 4.01Å |
| 78 | M | 98.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 175.3 | -68.2 | 177.3 | -166.6 | 0 | 0 | 111.6 | I54 L58 F70 E74 C75 G76 Q80 A81 Y82 | I54-M78 HydrophobicContact CD1-CB 4.2Å; I54-M78 HydrophobicContact CG2-CB 4.33Å; I54-M78 HydrophobicContact CG2-SD 3.97Å; L58-M78 HydrophobicContact CD1-CE 4.1Å; L58-M78 HydrophobicContact CD1-SD 3.81Å; F70-M78 HydrophobicContact CD1-CE 3.82Å; F70-M78 HydrophobicContact CE1-CE 3.83Å; F70-M78 HydrophobicContact CG-CE 4.42Å; F70-M78 HydrophobicContact CZ-CE 4.43Å; E74-M78 VanDerWaalsContact O-CG 3.32Å; E74-M78 WeakPolarHBondContact O-CG 3.21Å; E74-M78 PolarHBondContact O-N 3.42Å; C75-M78 PolarHBondContact O-N 2.93Å; G76-M78 PolarHBondContact O-N 2.79Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 2.74Å; M78-A81 PolarHBondContact O-N 2.81Å; M78-Y82 WeakPolarHBondContact O-CB 3.23Å; M78-Y82 PolarHBondContact O-N 3.46Å |
| 79 | S | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -32.5 | 178.3 | 79.7 | 0 | 0 | 0 | 0 | 113.1 | N47 C75 G76 A77 I83 | N47-S79 PolarHBondContact ND2-OG 3.26Å; C75-S79 PolarHBondContact O-N 3.29Å; G76-S79 WeakPolarHBondContact O-CB 3.41Å; G76-S79 PolarHBondContact O-N 2.98Å; G76-S79 VanDerWaalsContact O-N 3.15Å; G76-S79 PolarHBondContact O-OG 3.37Å; A77-S79 VanDerWaalsContact C-N 3.27Å; A77-S79 PolarHBondContact O-N 2.84Å; S79-I83 WeakPolarHBondContact O-CB 3.27Å; S79-I83 WeakPolarHBondContact O-CD1 3.41Å; S79-I83 VanDerWaalsContact O-CG1 3.31Å; S79-I83 WeakPolarHBondContact O-CG1 3.3Å; S79-I83 PolarHBondContact O-N 2.81Å |
| 80 | Q | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -47.9 | 174 | -67.7 | -172.3 | 8.5 | 0 | 0 | 110.9 | G76 A77 M78 G84 T109 G187 | G76-Q80 PolarHBondContact O-N 2.94Å; G76-Q80 VanDerWaalsContact O-N 3.1Å; A77-Q80 WeakPolarHBondContact O-CB 3.4Å; A77-Q80 PolarHBondContact O-N 2.81Å; A77-Q80 VanDerWaalsContact O-N 3.16Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 2.74Å; Q80-G84 WeakPolarHBondContact O-CA 3.23Å; Q80-G84 PolarHBondContact O-N 3.22Å; Q80-T109 PolarHBondContact NE2-O 3.06Å; Q80-G187 VanDerWaalsContact CG-O 3.26Å; Q80-G187 WeakPolarHBondContact CG-O 3.37Å; Q80-G187 PolarHBondContact NE2-O 2.9Å |
| 81 | A | 98.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 30 Ų | 30 | 46% | 0.463 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A77 M78 Y85 | A77-A81 PolarHBondContact O-N 2.92Å; M78-A81 PolarHBondContact O-N 2.81Å; A81-Y85 WeakPolarHBondContact O-CB 3.45Å; A81-Y85 PolarHBondContact O-N 3.3Å |
| 82 | Y | 97.5 | Very high | 97.1 | Very high | 57 Ų | 57 | 29.4 Ų | 29.4 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -54.2 | 179.4 | 164.8 | -136.8 | 0 | 0 | 0 | 112.7 | P17 Q20 Q50 M78 Q86 | P17-Y82 WeakPolarHBondContact CA-OH 3.4Å; P17-Y82 HydrophobicContact CB-CE2 4.37Å; P17-Y82 HydrophobicContact CG-CE2 4.49Å; Q20-Y82 PolarHBondContact NE2-OH 2.85Å; Q50-Y82 HydrophobicContact CB-CD1 4.23Å; Q50-Y82 HydrophobicContact CB-CE1 4.13Å; Q50-Y82 HydrophobicContact CG-CD1 4.2Å; Q50-Y82 HydrophobicContact CG-CE1 3.73Å; M78-Y82 WeakPolarHBondContact O-CB 3.23Å; M78-Y82 PolarHBondContact O-N 3.46Å; Y82-Q86 HydrophobicContact CE2-CG 4.43Å; Y82-Q86 PolarHBondContact O-N 3.4Å |
| 83 | I | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.1 | -42.6 | -177.5 | -61.6 | 162.7 | 0 | 0 | 0 | 110.2 | L13 H45 N47 Q50 S79 Y85 Q86 L87 | L13-I83 HydrophobicContact CD1-CD1 4.18Å; L13-I83 HydrophobicContact CD1-CG2 4.22Å; L13-I83 HydrophobicContact CD2-CG2 3.7Å; H45-I83 VanDerWaalsContact CE1-CB 3.46Å; H45-I83 WeakPolarHBondContact CE1-CB 3.44Å; H45-I83 VanDerWaalsContact CE1-CG2 3.42Å; H45-I83 WeakPolarHBondContact CE1-CG2 3.42Å; H45-I83 WeakPolarHBondContact ND1-CG2 3.32Å; N47-I83 HydrophobicContact CB-CD1 3.76Å; Q50-I83 HydrophobicContact CB-CD1 3.98Å; Q50-I83 HydrophobicContact CB-CG1 4.38Å; Q50-I83 HydrophobicContact CG-CD1 3.79Å; Q50-I83 HydrophobicContact CG-CG1 3.93Å; S79-I83 WeakPolarHBondContact O-CB 3.27Å; S79-I83 WeakPolarHBondContact O-CD1 3.41Å; S79-I83 VanDerWaalsContact O-CG1 3.31Å; S79-I83 WeakPolarHBondContact O-CG1 3.3Å; S79-I83 PolarHBondContact O-N 2.81Å; I83-Y85 VanDerWaalsContact C-N 3.35Å; I83-Y85 PolarHBondContact O-N 2.81Å; I83-Q86 PolarHBondContact O-N 3.38Å; I83-L87 HydrophobicContact CG2-CD1 3.78Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CB 3.43Å; I83-L87 PolarHBondContact O-N 3.41Å |
| 84 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q80 Q86 L87 Q88 T106 | Q80-G84 WeakPolarHBondContact O-CA 3.23Å; Q80-G84 PolarHBondContact O-N 3.22Å; G84-Q86 PolarHBondContact O-N 3.33Å; G84-L87 PolarHBondContact O-N 2.64Å; G84-Q88 WeakPolarHBondContact O-CB 3.42Å; G84-Q88 PolarHBondContact O-N 2.78Å; G84-T106 VanDerWaalsContact C-OG1 3.22Å; G84-T106 VanDerWaalsContact CA-OG1 3.26Å; G84-T106 WeakPolarHBondContact CA-OG1 3.16Å; G84-T106 PolarHBondContact O-OG1 3.34Å; G84-T106 VanDerWaalsContact O-OG1 3.1Å |
| 85 | Y | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 31.4 Ų | 31.4 | 51% | 0.51 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.3 | -53.1 | 172.9 | 160.4 | -121.7 | 0 | 0 | 0 | 111.8 | A81 I83 L87 Q88 E89 | A81-Y85 WeakPolarHBondContact O-CB 3.45Å; A81-Y85 PolarHBondContact O-N 3.3Å; I83-Y85 VanDerWaalsContact C-N 3.35Å; I83-Y85 PolarHBondContact O-N 2.81Å; Y85-L87 PolarHBondContact O-N 3.26Å; Y85-Q88 PolarHBondContact O-N 3.33Å; Y85-E89 HydrophobicContact CE2-CB 4.24Å; Y85-E89 WeakPolarHBondContact O-CB 3.46Å; Y85-E89 PolarHBondContact O-N 3.41Å; Y85-E89 PolarHBondContact OH-OE1 3.35Å |
| 86 | Q | 97.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | -177.2 | -68.9 | -168.6 | -26.4 | 0 | 0 | 112.5 | P17 L21 V24 Y82 I83 G84 S90 | P17-Q86 PolarHBondContact O-NE2 2.68Å; L21-Q86 HydrophobicContact CD1-CB 4.38Å; L21-Q86 HydrophobicContact CD1-CG 4.4Å; V24-Q86 HydrophobicContact CG2-CB 3.97Å; Y82-Q86 HydrophobicContact CE2-CG 4.43Å; Y82-Q86 PolarHBondContact O-N 3.4Å; I83-Q86 PolarHBondContact O-N 3.38Å; G84-Q86 PolarHBondContact O-N 3.33Å; Q86-S90 VanDerWaalsContact O-CB 3.3Å; Q86-S90 WeakPolarHBondContact O-CB 3.46Å; Q86-S90 PolarHBondContact O-N 3.03Å; Q86-S90 PolarHBondContact O-OG 3.35Å |
| 87 | L | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 174.3 | -80.9 | 171.1 | 0 | 0 | 0 | 111.2 | L8 V24 H45 I83 G84 Y85 S90 L91 I184 | L8-L87 HydrophobicContact CD1-CD1 4.03Å; L8-L87 HydrophobicContact CD1-CD2 3.81Å; V24-L87 HydrophobicContact CB-CD2 3.9Å; V24-L87 HydrophobicContact CB-CG 4.49Å; V24-L87 HydrophobicContact CG1-CD2 3.68Å; V24-L87 HydrophobicContact CG1-CG 4.06Å; H45-L87 HydrophobicContact CB-CD1 4.39Å; I83-L87 HydrophobicContact CG2-CD1 3.78Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CB 3.43Å; I83-L87 PolarHBondContact O-N 3.41Å; G84-L87 PolarHBondContact O-N 2.64Å; Y85-L87 PolarHBondContact O-N 3.26Å; L87-S90 PolarHBondContact O-N 2.95Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 WeakPolarHBondContact O-CD1 3.44Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 2.84Å; L87-I184 HydrophobicContact CB-CD1 3.76Å; L87-I184 HydrophobicContact CD1-CG2 4.41Å |
| 88 | Q | 97.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 179.2 | -177.3 | -177 | -58.1 | 0 | 0 | 110.7 | G84 Y85 S90 L91 Q92 V104 I184 | G84-Q88 WeakPolarHBondContact O-CB 3.42Å; G84-Q88 PolarHBondContact O-N 2.78Å; Y85-Q88 PolarHBondContact O-N 3.33Å; Q88-S90 VanDerWaalsContact C-N 3.34Å; Q88-S90 PolarHBondContact O-N 3.45Å; Q88-L91 PolarHBondContact O-N 2.85Å; Q88-Q92 HydrophobicContact CG-CG 4.43Å; Q88-Q92 WeakPolarHBondContact O-CB 3.37Å; Q88-Q92 VanDerWaalsContact O-CG 3.28Å; Q88-Q92 WeakPolarHBondContact O-CG 3.45Å; Q88-Q92 PolarHBondContact O-N 3.29Å; Q88-V104 HydrophobicContact CB-CG1 4.34Å; Q88-V104 HydrophobicContact CG-CB 4.07Å; Q88-V104 HydrophobicContact CG-CG1 3.93Å; Q88-I184 HydrophobicContact CB-CD1 3.97Å |
| 89 | E | 97.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.9 | -47.7 | 176.6 | 179.6 | -177.4 | -97.8 | 0 | 0 | 111.1 | Y85 N93 | Y85-E89 HydrophobicContact CE2-CB 4.24Å; Y85-E89 WeakPolarHBondContact O-CB 3.46Å; Y85-E89 PolarHBondContact O-N 3.41Å; Y85-E89 PolarHBondContact OH-OE1 3.35Å; E89-N93 WeakPolarHBondContact O-CB 3.48Å; E89-N93 PolarHBondContact O-N 2.78Å; E89-N93 PolarHBondContact O-ND2 3.16Å; E89-N93 VanDerWaalsContact O-ND2 3.14Å |
| 90 | S | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -178.4 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V24 Q86 L87 Q88 E94 | V24-S90 VanDerWaalsContact CG2-OG 3.31Å; V24-S90 WeakPolarHBondContact CG2-OG 3.36Å; Q86-S90 VanDerWaalsContact O-CB 3.3Å; Q86-S90 WeakPolarHBondContact O-CB 3.46Å; Q86-S90 PolarHBondContact O-N 3.03Å; Q86-S90 PolarHBondContact O-OG 3.35Å; L87-S90 PolarHBondContact O-N 2.95Å; Q88-S90 VanDerWaalsContact C-N 3.34Å; Q88-S90 PolarHBondContact O-N 3.45Å; S90-E94 WeakPolarHBondContact O-CB 3.44Å; S90-E94 PolarHBondContact O-N 3.36Å |
| 91 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 177.8 | -73.2 | 161.6 | 0 | 0 | 0 | 111.6 | A28 L31 V32 I43 L87 Q88 N93 E94 L95 V104 L182 I184 | A28-L91 HydrophobicContact CB-CD2 3.91Å; A28-L91 HydrophobicContact CB-CG 4.12Å; L31-L91 HydrophobicContact CB-CD2 3.96Å; L31-L91 HydrophobicContact CD1-CD2 4.21Å; V32-L91 HydrophobicContact CG2-CD2 4.28Å; I43-L91 HydrophobicContact CD1-CD1 3.58Å; I43-L91 HydrophobicContact CD1-CD2 4.42Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 WeakPolarHBondContact O-CD1 3.44Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 2.84Å; Q88-L91 PolarHBondContact O-N 2.85Å; L91-N93 PolarHBondContact O-N 2.87Å; L91-E94 PolarHBondContact O-N 3.16Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 WeakPolarHBondContact O-CD1 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.78Å; L91-V104 HydrophobicContact CB-CG1 4.24Å; L91-V104 HydrophobicContact CB-CG2 4.33Å; L91-V104 HydrophobicContact CD1-CG1 4.27Å; L91-L182 HydrophobicContact CB-CD2 4.19Å; L91-L182 HydrophobicContact CD1-CD2 3.91Å; L91-L182 HydrophobicContact CD2-CD2 4.16Å; L91-L182 HydrophobicContact CG-CD2 4.31Å; L91-I184 HydrophobicContact CD1-CD1 4.08Å; L91-I184 HydrophobicContact CD1-CG1 4.4Å |
| 92 | Q | 97.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 50 Ų | 50 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.9 | -74.7 | 178.7 | -44.9 | 0 | 0 | 111.3 | Q88 E94 L95 H96 V104 | Q88-Q92 HydrophobicContact CG-CG 4.43Å; Q88-Q92 WeakPolarHBondContact O-CB 3.37Å; Q88-Q92 VanDerWaalsContact O-CG 3.28Å; Q88-Q92 WeakPolarHBondContact O-CG 3.45Å; Q88-Q92 PolarHBondContact O-N 3.29Å; Q92-E94 PolarHBondContact O-N 2.89Å; Q92-L95 PolarHBondContact O-N 3.05Å; Q92-H96 WeakPolarHBondContact O-CB 3.31Å; Q92-H96 PolarHBondContact O-N 2.89Å; Q92-H96 PolarHBondContact O-ND1 2.9Å; Q92-V104 HydrophobicContact CG-CB 3.64Å; Q92-V104 HydrophobicContact CG-CG2 3.52Å |
| 93 | N | 97.2 | Very high | 96.9 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.5 | -73.2 | -25.5 | 0 | 0 | 0 | 112.1 | E89 L91 H96 S97 | E89-N93 WeakPolarHBondContact O-CB 3.48Å; E89-N93 PolarHBondContact O-N 2.78Å; E89-N93 PolarHBondContact O-ND2 3.16Å; E89-N93 VanDerWaalsContact O-ND2 3.14Å; L91-N93 PolarHBondContact O-N 2.87Å; N93-H96 PolarHBondContact O-N 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.35Å; N93-S97 PolarHBondContact O-N 2.92Å |
| 94 | E | 97.3 | Very high | 96.9 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 20% | 0.201 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.5 | -174.3 | 64.7 | -156.8 | 0 | 0 | 111.4 | A28 K29 V32 S90 L91 Q92 H96 S97 I98 | A28-E94 HydrophobicContact CB-CB 4.35Å; K29-E94 VanDerWaalsContact CG-CD 3.48Å; K29-E94 HydrophobicContact CG-CG 4.23Å; K29-E94 WeakPolarHBondContact CG-OE2 3.42Å; V32-E94 HydrophobicContact CB-CG 3.88Å; V32-E94 HydrophobicContact CG1-CG 4.16Å; V32-E94 HydrophobicContact CG2-CB 3.93Å; V32-E94 HydrophobicContact CG2-CG 3.66Å; S90-E94 WeakPolarHBondContact O-CB 3.44Å; S90-E94 PolarHBondContact O-N 3.36Å; L91-E94 PolarHBondContact O-N 3.16Å; Q92-E94 PolarHBondContact O-N 2.89Å; E94-H96 PolarHBondContact O-N 2.82Å; E94-S97 WeakPolarHBondContact O-CB 3.29Å; E94-S97 PolarHBondContact O-N 3.27Å; E94-S97 PolarHBondContact O-OG 2.9Å; E94-I98 PolarHBondContact O-N 2.75Å |
| 95 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.2 | -72.2 | 165.4 | 0 | 0 | 0 | 111.8 | V32 I35 L91 Q92 S97 I98 G99 M100 K102 V104 L182 | V32-L95 HydrophobicContact CG1-CD2 4.05Å; V32-L95 HydrophobicContact CG2-CD2 3.92Å; V32-L95 HydrophobicContact CG2-CG 3.89Å; I35-L95 HydrophobicContact CD1-CD2 4.16Å; I35-L95 HydrophobicContact CG2-CD2 4.12Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 WeakPolarHBondContact O-CD1 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.78Å; Q92-L95 PolarHBondContact O-N 3.05Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.08Å; L95-I98 WeakPolarHBondContact O-CG1 3.32Å; L95-I98 PolarHBondContact O-N 3.46Å; L95-G99 PolarHBondContact O-N 2.76Å; L95-M100 CarbonylContact C-O 3.42Å; L95-M100 HydrophobicContact CB-CB 4.47Å; L95-M100 HydrophobicContact CD2-CB 4.26Å; L95-M100 HydrophobicContact CD2-CG 4.14Å; L95-M100 HydrophobicContact CD2-SD 3.6Å; L95-M100 VanDerWaalsContact CD2-SD 3.6Å; L95-M100 PolarHBondContact O-N 3.29Å; L95-K102 HydrophobicContact CD1-CB 4.25Å; L95-V104 HydrophobicContact CD1-CG2 3.63Å; L95-L182 HydrophobicContact CD1-CD2 4.48Å |
| 96 | H | 96.8 | Very high | 97 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 176.4 | -67.1 | 159.4 | 0 | 0 | 0 | 112.4 | Q92 N93 E94 I98 G99 | Q92-H96 WeakPolarHBondContact O-CB 3.31Å; Q92-H96 PolarHBondContact O-N 2.89Å; Q92-H96 PolarHBondContact O-ND1 2.9Å; N93-H96 PolarHBondContact O-N 3.23Å; E94-H96 PolarHBondContact O-N 2.82Å; H96-I98 PolarHBondContact O-N 3.28Å; H96-G99 PolarHBondContact O-N 2.98Å |
| 97 | S | 96.7 | Very high | 97 | Very high | 84 Ų | 84 | 51.4 Ų | 51.4 | 59% | 0.587 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62 | -26.4 | 179.9 | 81.8 | 0 | 0 | 0 | 0 | 113.2 | N93 E94 L95 | N93-S97 WeakPolarHBondContact O-CB 3.35Å; N93-S97 PolarHBondContact O-N 2.92Å; E94-S97 WeakPolarHBondContact O-CB 3.29Å; E94-S97 PolarHBondContact O-N 3.27Å; E94-S97 PolarHBondContact O-OG 2.9Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.08Å |
| 98 | I | 96 | Very high | 97.1 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.8 | 175.3 | 65.9 | 166.5 | 0 | 0 | 0 | 113.2 | V32 T36 E94 L95 H96 M100 | V32-I98 HydrophobicContact CG1-CD1 3.52Å; T36-I98 HydrophobicContact CG2-CD1 3.48Å; T36-I98 VanDerWaalsContact CG2-CD1 3.48Å; E94-I98 PolarHBondContact O-N 2.75Å; L95-I98 WeakPolarHBondContact O-CG1 3.32Å; L95-I98 PolarHBondContact O-N 3.46Å; H96-I98 PolarHBondContact O-N 3.28Å; I98-M100 HydrophobicContact CD1-CB 4.35Å; I98-M100 HydrophobicContact CD1-CE 4.47Å; I98-M100 HydrophobicContact CG1-CB 4.14Å |
| 99 | G | 96.5 | Very high | 97.1 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 22.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L95 H96 | L95-G99 PolarHBondContact O-N 2.76Å; H96-G99 PolarHBondContact O-N 2.98Å |
| 100 | M | 95.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 53 Ų | 53 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | trans | -98.2 | 116.4 | 177.1 | -172.8 | 174.1 | -67 | 0 | 0 | 110.8 | I35 T36 L95 I98 K102 | I35-M100 HydrophobicContact CG2-SD 3.81Å; T36-M100 HydrophobicContact CG2-CE 3.97Å; L95-M100 CarbonylContact C-O 3.42Å; L95-M100 HydrophobicContact CB-CB 4.47Å; L95-M100 HydrophobicContact CD2-CB 4.26Å; L95-M100 HydrophobicContact CD2-CG 4.14Å; L95-M100 HydrophobicContact CD2-SD 3.6Å; L95-M100 VanDerWaalsContact CD2-SD 3.6Å; L95-M100 PolarHBondContact O-N 3.29Å; I98-M100 HydrophobicContact CD1-CB 4.35Å; I98-M100 HydrophobicContact CD1-CE 4.47Å; I98-M100 HydrophobicContact CG1-CB 4.14Å; M100-K102 HydrophobicContact CG-CB 4.25Å; M100-K102 PolarHBondContact O-N 2.85Å | ||
| 101 | D | 93 | Very high | 97.2 | Very high | 136 Ų | 136 | 52.8 Ų | 52.8 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | trans | -90.1 | 95.8 | 171.6 | -175.1 | 11.2 | 0 | 0 | 0 | 109.6 | ||||
| 102 | K | 95.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 10% | 0.1 | 30% | 0.302 | C | S | . | . | trans | -134.4 | 132.8 | 177.6 | 172.1 | 176.1 | -93.6 | -82.4 | 0 | 109.4 | I35 L95 M100 D180 L182 | I35-K102 HydrophobicContact CG2-CD 3.64Å; L95-K102 HydrophobicContact CD1-CB 4.25Å; M100-K102 HydrophobicContact CG-CB 4.25Å; M100-K102 PolarHBondContact O-N 2.85Å; K102-D180 WeakPolarHBondContact CE-OD2 3.34Å; K102-D180 PolarHBondContact NZ-O 3.49Å; K102-D180 IonicContact NZ-OD1 2.66Å; K102-D180 PolarHBondContact NZ-OD1 3.3Å; K102-D180 IonicContact NZ-OD2 3.05Å; K102-D180 PolarHBondContact NZ-OD2 3.24Å; K102-L182 HydrophobicContact CD-CB 4.43Å | ||
| 103 | Q | 96.9 | Very high | 97.3 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | trans | -70.1 | 138 | 178.6 | -62.6 | -57.9 | -48.6 | 0 | 0 | 110.7 | T181 L182 | Q103-T181 HydrophobicContact CB-CG2 4.05Å; Q103-L182 PolarHBondContact O-N 3.3Å | ||
| 104 | V | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.8 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | Q88 L91 Q92 L95 L182 I184 | Q88-V104 HydrophobicContact CB-CG1 4.34Å; Q88-V104 HydrophobicContact CG-CB 4.07Å; Q88-V104 HydrophobicContact CG-CG1 3.93Å; L91-V104 HydrophobicContact CB-CG1 4.24Å; L91-V104 HydrophobicContact CB-CG2 4.33Å; L91-V104 HydrophobicContact CD1-CG1 4.27Å; Q92-V104 HydrophobicContact CG-CB 3.64Å; Q92-V104 HydrophobicContact CG-CG2 3.52Å; L95-V104 HydrophobicContact CD1-CG2 3.63Å; V104-L182 WeakPolarHBondContact CA-O 3.45Å; V104-L182 HydrophobicContact CB-CB 4.42Å; V104-L182 HydrophobicContact CB-CD2 4.45Å; V104-L182 HydrophobicContact CG1-CB 4.26Å; V104-L182 HydrophobicContact CG1-CD2 3.87Å; V104-L182 HydrophobicContact CG1-CG 4.1Å; V104-L182 HydrophobicContact CG2-CB 4.11Å; V104-L182 HydrophobicContact CG2-CD2 3.84Å; V104-L182 HydrophobicContact CG2-CG 4.46Å; V104-I184 HydrophobicContact CG1-CD1 4.11Å |
| 105 | V | 98.4 | Very high | 97.2 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139 | -178.3 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | L107 L176 T181 L182 V183 I184 | V105-L107 HydrophobicContact CG1-CD1 3.93Å; V105-L107 HydrophobicContact CG2-CD1 4.23Å; V105-L176 HydrophobicContact CG1-CD1 3.79Å; V105-L176 HydrophobicContact CG1-CD2 4.47Å; V105-T181 HydrophobicContact CB-CG2 4.36Å; V105-T181 HydrophobicContact CG1-CG2 3.73Å; V105-L182 PolarHBondContact N-O 3.15Å; V105-V183 HydrophobicContact CG1-CG2 4.33Å; V105-I184 PolarHBondContact O-N 3.19Å |
| 106 | T | 98.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.5 | 165.3 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | G84 I184 | G84-T106 VanDerWaalsContact C-OG1 3.22Å; G84-T106 VanDerWaalsContact CA-OG1 3.26Å; G84-T106 WeakPolarHBondContact CA-OG1 3.16Å; G84-T106 PolarHBondContact O-OG1 3.34Å; G84-T106 VanDerWaalsContact O-OG1 3.1Å; T106-I184 CarbonylContact C-O 3.42Å; T106-I184 WeakPolarHBondContact CA-O 3.45Å; T106-I184 HydrophobicContact CG2-CG2 4.43Å |
| 107 | L | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 125.4 | 170.8 | -106.6 | 81 | 0 | 0 | 0 | 111.2 | V105 T109 E169 I173 L176 I184 A185 | V105-L107 HydrophobicContact CG1-CD1 3.93Å; V105-L107 HydrophobicContact CG2-CD1 4.23Å; L107-T109 PolarHBondContact O-N 2.98Å; L107-T109 PolarHBondContact O-OG1 3.36Å; L107-E169 HydrophobicContact CD2-CB 4.1Å; L107-I173 HydrophobicContact CD2-CG1 4.2Å; L107-L176 HydrophobicContact CD1-CD1 3.29Å; L107-L176 HydrophobicContact CD2-CD1 4.4Å; L107-L176 HydrophobicContact CG-CD1 4.48Å; L107-I184 PolarHBondContact N-O 3.21Å; L107-A185 HydrophobicContact CB-CB 4.45Å |
| 108 | V | 98.5 | Very high | 97.2 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 125 | 160 | -180 | 0 | 0 | 0 | 0 | 107.6 | I191 | V108-I191 HydrophobicContact CG1-CD1 3.56Š|
| 109 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -127.8 | 125 | -170.4 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | Q80 L107 V111 I167 E169 A186 G190 I191 | Q80-T109 PolarHBondContact NE2-O 3.06Å; L107-T109 PolarHBondContact O-N 2.98Å; L107-T109 PolarHBondContact O-OG1 3.36Å; T109-V111 HydrophobicContact CG2-CG2 4.44Å; T109-I167 HydrophobicContact CG2-CG2 3.65Å; T109-E169 WeakPolarHBondContact CA-OE2 3.42Å; T109-A186 HydrophobicContact CG2-CB 4.29Å; T109-A186 PolarHBondContact OG1-N 2.74Å; T109-G190 CarbonylContact O-C 3.55Å; T109-G190 WeakPolarHBondContact O-CA 3.28Å; T109-I191 PolarHBondContact O-N 3.4Å | ||
| 110 | Q | 98.7 | Very high | 97 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 144.9 | 170.6 | -62.8 | 170.2 | 101.4 | 0 | 0 | 110.1 | I168 E169 I191 V193 | Q110-I168 HydrophobicContact CB-CB 4.02Å; Q110-I168 HydrophobicContact CB-CG1 3.73Å; Q110-I168 PolarHBondContact O-N 2.88Å; Q110-E169 PolarHBondContact N-OE2 2.76Å; Q110-E169 PolarHBondContact NE2-OE1 2.98Å; Q110-I191 CarbonylContact C-O 3.58Å; Q110-I191 WeakPolarHBondContact CA-O 3.3Å; Q110-I191 HydrophobicContact CG-CB 4.38Å; Q110-V193 HydrophobicContact CB-CG1 4.13Å; Q110-V193 HydrophobicContact CB-CG2 4.08Å; Q110-V193 HydrophobicContact CG-CG1 4.13Å |
| 111 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.1 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 109 | T109 P164 S166 I167 G189 I191 P192 V193 I208 T213 | T109-V111 HydrophobicContact CG2-CG2 4.44Å; V111-P164 HydrophobicContact CG1-CB 3.57Å; V111-S166 CarbonylContact C-O 3.54Å; V111-S166 WeakPolarHBondContact CA-O 3.4Å; V111-I167 HydrophobicContact CG2-CG1 4.19Å; V111-G189 WeakPolarHBondContact CG2-O 3.29Å; V111-I191 PolarHBondContact N-O 3.45Å; V111-P192 WeakPolarHBondContact O-CA 3.35Å; V111-V193 PolarHBondContact O-N 3.47Å; V111-I208 HydrophobicContact CB-CD1 3.52Å; V111-I208 HydrophobicContact CG1-CD1 3.49Å; V111-I208 VanDerWaalsContact CG1-CD1 3.49Å; V111-T213 HydrophobicContact CG2-CG2 3.84Å |
| 112 | E | 98.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.3 | 178.3 | -173.6 | 179.4 | -177.5 | 0 | 0 | 110.5 | I165 S166 I168 V193 R195 | E112-I165 HydrophobicContact CB-CB 4.35Å; E112-I165 HydrophobicContact CG-CB 4.31Å; E112-I165 WeakPolarHBondContact O-CB 3.37Å; E112-I165 PolarHBondContact O-N 3.3Å; E112-S166 VanDerWaalsContact CB-OG 3.25Å; E112-S166 WeakPolarHBondContact CB-OG 3.37Å; E112-S166 PolarHBondContact N-O 3.09Å; E112-S166 PolarHBondContact OE2-OG 2.95Å; E112-I168 HydrophobicContact CB-CD1 4.19Å; E112-V193 CarbonylContact C-O 3.55Å; E112-V193 VanDerWaalsContact CA-O 3.29Å; E112-V193 WeakPolarHBondContact CA-O 3.41Å; E112-R195 WeakPolarHBondContact OE1-CD 3.43Å; E112-R195 WeakPolarHBondContact OE1-CG 3.24Å; E112-R195 IonicContact OE1-CZ 2.68Å; E112-R195 IonicContact OE1-NE 2.71Å; E112-R195 PolarHBondContact OE1-NE 3.37Å; E112-R195 IonicContact OE1-NH2 2.74Å; E112-R195 IonicContact OE2-CZ 3.24Å; E112-R195 IonicContact OE2-NE 3.11Å; E112-R195 PolarHBondContact OE2-NE 3.05Å; E112-R195 IonicContact OE2-NH2 2.82Å; E112-R195 PolarHBondContact OE2-NH2 3.21Å |
| 113 | V | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | trans | -132.8 | 160.1 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | F120 P162 P192 V193 I194 I204 I208 | V113-F120 HydrophobicContact CG2-CZ 4.41Å; V113-P162 HydrophobicContact CB-CB 3.94Å; V113-P162 HydrophobicContact CB-CG 3.81Å; V113-P162 HydrophobicContact CG1-CB 4.13Å; V113-P162 HydrophobicContact CG1-CG 3.68Å; V113-P162 HydrophobicContact CG2-CB 4.46Å; V113-P162 HydrophobicContact CG2-CG 4.03Å; V113-P192 HydrophobicContact CG1-CB 4.43Å; V113-P192 HydrophobicContact CG2-CB 4.34Å; V113-V193 PolarHBondContact N-O 3.15Å; V113-I194 HydrophobicContact CG2-CG2 4.04Å; V113-I204 HydrophobicContact CG2-CG2 3.99Å; V113-I208 HydrophobicContact CG1-CD1 3.56Å; V113-I208 HydrophobicContact CG1-CG1 3.96Å | ||
| 114 | D | 97.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | trans | -78.2 | 127.9 | 174.9 | -171.5 | -12.2 | 0 | 0 | 0 | 109.7 | N116 D117 F120 I165 | D114-N116 PolarHBondContact O-N 2.86Å; D114-N116 PolarHBondContact OD1-N 3.08Å; D114-D117 HydrophobicContact CB-CB 4.26Å; D114-D117 WeakPolarHBondContact O-CB 3.47Å; D114-D117 PolarHBondContact O-N 3.13Å; D114-D117 VanDerWaalsContact O-N 3.1Å; D114-F120 VanDerWaalsContact O-CE2 3.29Å; D114-F120 WeakPolarHBondContact O-CE2 3.22Å; D114-I165 HydrophobicContact CB-CD1 4.01Å | ||
| 115 | E | 95.5 | Very high | 95.7 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.6 | 174.3 | 71.3 | 179.6 | 165.9 | 0 | 0 | 112.6 | I194 | E115-I194 HydrophobicContact CB-CB 4.43Å; E115-I194 HydrophobicContact CB-CD1 4.17Å; E115-I194 HydrophobicContact CB-CG2 3.92Å |
| 116 | N | 96.6 | Very high | 95 | Very high | 115 Ų | 115 | 55 Ų | 55 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 11.6 | -179.9 | -58.5 | -68.2 | 0 | 0 | 0 | 112.9 | D114 | D114-N116 PolarHBondContact O-N 2.86Å; D114-N116 PolarHBondContact OD1-N 3.08Å |
| 117 | D | 97.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | trans | -56.3 | 129 | 179.5 | -169.5 | -58.8 | 0 | 0 | 0 | 110.4 | D114 A119 F120 P162 Q163 | D114-D117 HydrophobicContact CB-CB 4.26Å; D114-D117 WeakPolarHBondContact O-CB 3.47Å; D114-D117 PolarHBondContact O-N 3.13Å; D114-D117 VanDerWaalsContact O-N 3.1Å; D117-A119 PolarHBondContact O-N 3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.34Å; D117-A119 PolarHBondContact OD1-N 3.41Å; D117-F120 HydrophobicContact CB-CD2 3.94Å; D117-F120 HydrophobicContact CB-CE2 4.05Å; D117-F120 WeakPolarHBondContact O-CD2 3.32Å; D117-F120 PolarHBondContact O-N 3.36Å; D117-P162 HydrophobicContact CB-CB 3.69Å; D117-P162 VanDerWaalsContact OD2-CA 3.29Å; D117-P162 WeakPolarHBondContact OD2-CA 3.33Å; D117-P162 WeakPolarHBondContact OD2-CB 3.47Å; D117-Q163 PolarHBondContact OD2-N 3.47Å | ||
| 118 | P | 96.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -53.6 | -24 | 179 | -27.7 | 35 | 0 | 0 | 0 | 114.6 | F120 N121 N122 | P118-F120 PolarHBondContact O-N 2.93Å; P118-N121 PolarHBondContact O-N 3.14Å; P118-N122 PolarHBondContact O-N 2.97Å; P118-N122 VanDerWaalsContact O-N 3.17Å |
| 119 | A | 94.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -62.2 | -23.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D117 N121 N122 | D117-A119 PolarHBondContact O-N 3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.34Å; D117-A119 PolarHBondContact OD1-N 3.41Å; A119-N121 VanDerWaalsContact C-N 3.29Å; A119-N122 CarbonylContact O-C 3.28Å; A119-N122 VanDerWaalsContact O-C 3.28Å; A119-N122 PolarHBondContact O-N 3.13Å |
| 120 | F | 93.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 20% | 0.197 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.3 | -31.3 | 173.1 | -73.2 | -71.4 | 0 | 0 | 0 | 112.5 | V113 D114 D117 P118 P160 P162 I204 A206 | V113-F120 HydrophobicContact CG2-CZ 4.41Å; D114-F120 VanDerWaalsContact O-CE2 3.29Å; D114-F120 WeakPolarHBondContact O-CE2 3.22Å; D117-F120 HydrophobicContact CB-CD2 3.94Å; D117-F120 HydrophobicContact CB-CE2 4.05Å; D117-F120 WeakPolarHBondContact O-CD2 3.32Å; D117-F120 PolarHBondContact O-N 3.36Å; P118-F120 PolarHBondContact O-N 2.93Å; F120-P160 HydrophobicContact CD1-CB 3.62Å; F120-P160 HydrophobicContact CD1-CG 3.74Å; F120-P160 HydrophobicContact CE1-CB 3.88Å; F120-P160 HydrophobicContact CE1-CG 4.25Å; F120-P160 HydrophobicContact CG-CB 4.27Å; F120-P162 HydrophobicContact CE2-CB 3.98Å; F120-P162 HydrophobicContact CE2-CG 4.16Å; F120-P162 HydrophobicContact CZ-CB 4.34Å; F120-P162 HydrophobicContact CZ-CG 4.01Å; F120-I204 HydrophobicContact CD1-CD1 4.33Å; F120-I204 HydrophobicContact CE1-CD1 3.56Å; F120-I204 HydrophobicContact CE1-CG1 3.79Å; F120-I204 HydrophobicContact CE1-CG2 4.41Å; F120-I204 HydrophobicContact CE2-CD1 4.34Å; F120-I204 HydrophobicContact CZ-CD1 3.57Å; F120-I204 HydrophobicContact CZ-CG1 4.05Å; F120-I204 HydrophobicContact CZ-CG2 4.01Å; F120-A206 HydrophobicContact CE1-CB 4.06Å; F120-A206 HydrophobicContact CZ-CB 4.28Å |
| 121 | N | 93.9 | Very high | 92.4 | Very high | 148 Ų | 148 | 57.2 Ų | 57.2 | 79% | 0.791 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -13.6 | 176.3 | -64.6 | -56.5 | 0 | 0 | 0 | 113.1 | P118 A119 | P118-N121 PolarHBondContact O-N 3.14Å; A119-N121 VanDerWaalsContact C-N 3.29Å |
| 122 | N | 92.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -135.5 | 73.9 | 178.2 | -170.9 | 34.1 | 0 | 0 | 0 | 112.1 | P118 A119 S124 | P118-N122 PolarHBondContact O-N 2.97Å; P118-N122 VanDerWaalsContact O-N 3.17Å; A119-N122 CarbonylContact O-C 3.28Å; A119-N122 VanDerWaalsContact O-C 3.28Å; A119-N122 PolarHBondContact O-N 3.13Å; N122-S124 PolarHBondContact O-N 3.13Å |
| 123 | P | 90.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 65 Ų | 65 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | trans | -58.1 | 130.1 | 178.9 | -27.8 | 39.4 | 0 | 0 | 0 | 111.9 | I146 V158 P160 | P123-I146 HydrophobicContact CB-CD1 4.5Å; P123-I146 HydrophobicContact CG-CD1 3.98Å; P123-V158 HydrophobicContact CB-CB 4.28Å; P123-V158 HydrophobicContact CB-CG2 3.93Å; P123-V158 WeakPolarHBondContact O-CG2 3.45Å; P123-P160 HydrophobicContact CG-CG 4.26Å | ||
| 124 | S | 87.2 | Confident | 92.1 | Very high | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | trans | -138.1 | -13.4 | -173.4 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | N122 P126 V159 | N122-S124 PolarHBondContact O-N 3.13Å; S124-P126 WeakPolarHBondContact O-CD 3.22Å; S124-V159 PolarHBondContact N-O 3.45Å | ||
| 125 | K | 86.8 | Confident | 92 | Very high | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.3 | -176.1 | -173.5 | 73.3 | 166.4 | -170.9 | 0 | 110.9 | V158 V159 V207 D209 | K125-V158 VanDerWaalsContact O-CA 3.29Å; K125-V158 WeakPolarHBondContact O-CA 3.38Å; K125-V159 HydrophobicContact CB-CG2 4.4Å; K125-V159 PolarHBondContact N-O 2.88Å; K125-V159 VanDerWaalsContact N-O 3.12Å; K125-V159 PolarHBondContact O-N 3.36Å; K125-V207 HydrophobicContact CG-CB 4.1Å; K125-V207 HydrophobicContact CG-CG1 3.96Å; K125-D209 IonicContact NZ-OD2 2.62Å; K125-D209 PolarHBondContact NZ-OD2 3.06Å |
| 126 | P | 85.7 | Confident | 91.9 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.4 | -177.4 | 32.3 | -38.9 | 0 | 0 | 0 | 112.2 | S124 R156 R157 V158 | S124-P126 WeakPolarHBondContact O-CD 3.22Å; P126-R156 HydrophobicContact CB-CB 3.88Å; P126-R156 VanDerWaalsContact CB-CZ 3.45Å; P126-R156 VanDerWaalsContact CB-NH2 3.29Å; P126-R156 PolarHBondContact O-NH1 2.87Å; P126-R157 CarbonylContact C-O 3.57Å; P126-R157 WeakPolarHBondContact CA-O 3.19Å; P126-V158 HydrophobicContact CB-CG1 4.29Å |
| 127 | I | 86 | Confident | 91.9 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158.7 | -177.2 | 58.5 | 160.7 | 0 | 0 | 0 | 112 | F72 R157 V159 V207 | F72-I127 HydrophobicContact CD2-CD1 4.49Å; F72-I127 HydrophobicContact CE2-CD1 3.44Å; F72-I127 VanDerWaalsContact CE2-CD1 3.44Å; F72-I127 HydrophobicContact CZ-CD1 3.46Å; F72-I127 VanDerWaalsContact CZ-CD1 3.46Å; F72-I127 HydrophobicContact CZ-CG2 4.35Å; I127-R157 HydrophobicContact CD1-CG 4.35Å; I127-R157 HydrophobicContact CG1-CB 4.22Å; I127-R157 HydrophobicContact CG1-CG 4.24Å; I127-R157 WeakPolarHBondContact CG1-O 3.41Å; I127-R157 PolarHBondContact N-O 3.27Å; I127-V159 HydrophobicContact CD1-CG1 3.5Å; I127-V159 HydrophobicContact CD1-CG2 4.28Å; I127-V159 HydrophobicContact CG1-CG1 4.13Å; I127-V159 HydrophobicContact CG1-CG2 4.41Å; I127-V159 HydrophobicContact CG2-CG2 3.76Å; I127-V207 HydrophobicContact CG2-CG2 4.05Å |
| 128 | G | 84.1 | Confident | 91.8 | Very high | 17 Ų | 17 | 69.7 Ų | 69.7 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.1 | -153.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 129 | L | 84.9 | Confident | 91.5 | Very high | 86 Ų | 86 | 66.5 Ų | 66.5 | 45% | 0.45 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 160.4 | -173.2 | -59.7 | 176.8 | 0 | 0 | 0 | 112.5 | L56 Y131 R156 | L56-L129 HydrophobicContact CD2-CD1 3.6Å; L56-L129 HydrophobicContact CD2-CG 4.32Å; L129-Y131 HydrophobicContact CB-CE2 4.12Å; L129-Y131 WeakPolarHBondContact O-CD2 3.25Å; L129-Y131 WeakPolarHBondContact O-CE2 3.35Å; L129-R156 WeakPolarHBondContact O-CG 3.5Å |
| 130 | F | 89 | Confident | 91.5 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 39% | 0.386 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133 | 165.6 | -68.5 | -88.2 | 0 | 0 | 0 | 109.5 | D150 R153 Y155 R156 | F130-D150 HydrophobicContact CE1-CB 3.96Å; F130-R153 HydrophobicContact CD1-CB 3.76Å; F130-R153 VanDerWaalsContact CD1-O 3.27Å; F130-R153 WeakPolarHBondContact CD1-O 3.48Å; F130-R153 HydrophobicContact CE1-CB 3.5Å; F130-R153 HydrophobicContact CZ-CB 4.08Å; F130-Y155 WeakPolarHBondContact CA-O 3.14Å; F130-R156 HydrophobicContact CD1-CG 3.57Å; F130-R156 HydrophobicContact CE1-CG 3.72Å; F130-R156 HydrophobicContact CG-CG 4.05Å; F130-R156 HydrophobicContact CZ-CG 4.31Å |
| 131 | Y | 93.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 154 | 176.2 | -61.5 | -89.9 | 0 | 0 | 0 | 109.3 | L129 E135 I139 F147 Y155 | L129-Y131 HydrophobicContact CB-CE2 4.12Å; L129-Y131 WeakPolarHBondContact O-CD2 3.25Å; L129-Y131 WeakPolarHBondContact O-CE2 3.35Å; Y131-E135 HydrophobicContact CD1-CB 4.12Å; Y131-I139 HydrophobicContact CD1-CD1 3.73Å; Y131-I139 HydrophobicContact CE1-CD1 3.46Å; Y131-I139 VanDerWaalsContact CE1-CD1 3.46Å; Y131-I139 HydrophobicContact CG-CD1 4.48Å; Y131-F147 HydrophobicContact CD2-CD1 4.28Å; Y131-F147 AromaticContact CD2-CE1 3.57Å; Y131-F147 HydrophobicContact CD2-CE1 3.57Å; Y131-F147 AromaticContact CE2-CE1 3.81Å; Y131-F147 HydrophobicContact CE2-CE1 3.81Å; Y131-F147 HydrophobicContact CE2-CZ 4.49Å; Y131-F147 HydrophobicContact CG-CE1 4.22Å; Y131-Y155 PolarHBondContact N-O 3.46Å; Y131-Y155 PolarHBondContact O-N 2.91Å |
| 132 | N | 96.2 | Very high | 91.5 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 37% | 0.367 | S | S | . | . | trans | -73.7 | 170.2 | 162.6 | 73.2 | 50.9 | 0 | 0 | 0 | 110.2 | E134 E135 A136 | N132-E134 VanDerWaalsContact C-N 3.33Å; N132-E134 PolarHBondContact O-N 2.83Å; N132-E134 WeakPolarHBondContact OD1-CB 3.49Å; N132-E134 PolarHBondContact OD1-N 2.65Å; N132-E135 PolarHBondContact N-OE2 2.77Å; N132-E135 WeakPolarHBondContact ND2-CG 3.33Å; N132-E135 PolarHBondContact ND2-OE1 2.77Å; N132-E135 PolarHBondContact ND2-OE2 3.28Å; N132-E135 VanDerWaalsContact ND2-OE2 3.15Å; N132-E135 WeakPolarHBondContact OD1-CG 3.47Å; N132-E135 PolarHBondContact OD1-N 2.9Å; N132-A136 WeakPolarHBondContact O-CB 3.5Å; N132-A136 PolarHBondContact O-N 3.02Å | ||
| 133 | K | 95.5 | Very high | 91.2 | Very high | 114 Ų | 114 | 72.6 Ų | 72.6 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | -176.4 | -173.3 | 175.2 | 172.5 | -179.4 | 0 | 112.5 | A136 E137 Y155 | K133-A136 PolarHBondContact O-N 2.8Å; K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 HydrophobicContact CG-CG 4.49Å; K133-E137 IonicContact NZ-OE1 3.61Å; K133-E137 WeakPolarHBondContact O-CB 3.23Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.4Å; K133-E137 PolarHBondContact O-N 2.92Å; K133-Y155 HydrophobicContact CB-CD2 4.1Å; K133-Y155 HydrophobicContact CB-CE2 3.56Å; K133-Y155 HydrophobicContact CD-CE2 4.47Å; K133-Y155 HydrophobicContact CG-CE2 3.93Å |
| 134 | E | 96.8 | Very high | 91.1 | Very high | 154 Ų | 154 | 74.4 Ų | 74.4 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.3 | -44.1 | -176.1 | -65.3 | 155 | -171.3 | 0 | 0 | 111 | N132 E137 Q138 | N132-E134 VanDerWaalsContact C-N 3.33Å; N132-E134 PolarHBondContact O-N 2.83Å; N132-E134 WeakPolarHBondContact OD1-CB 3.49Å; N132-E134 PolarHBondContact OD1-N 2.65Å; E134-E137 PolarHBondContact O-N 2.81Å; E134-Q138 WeakPolarHBondContact O-CB 3.24Å; E134-Q138 PolarHBondContact O-N 2.8Å |
| 135 | E | 95 | Very high | 91.3 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 173.8 | -71.8 | 168.4 | 161.1 | 0 | 0 | 111.6 | Y131 N132 Q138 I139 | Y131-E135 HydrophobicContact CD1-CB 4.12Å; N132-E135 PolarHBondContact N-OE2 2.77Å; N132-E135 WeakPolarHBondContact ND2-CG 3.33Å; N132-E135 PolarHBondContact ND2-OE1 2.77Å; N132-E135 PolarHBondContact ND2-OE2 3.28Å; N132-E135 VanDerWaalsContact ND2-OE2 3.15Å; N132-E135 WeakPolarHBondContact OD1-CG 3.47Å; N132-E135 PolarHBondContact OD1-N 2.9Å; E135-Q138 PolarHBondContact O-N 3.02Å; E135-I139 VanDerWaalsContact O-CG1 3.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.34Å; E135-I139 PolarHBondContact O-N 3.29Å |
| 136 | A | 94.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N132 K133 Q138 I139 Q140 F147 Y155 | N132-A136 WeakPolarHBondContact O-CB 3.5Å; N132-A136 PolarHBondContact O-N 3.02Å; K133-A136 PolarHBondContact O-N 2.8Å; A136-Q138 VanDerWaalsContact C-N 3.31Å; A136-Q138 PolarHBondContact O-N 2.89Å; A136-I139 PolarHBondContact O-N 3.4Å; A136-Q140 VanDerWaalsContact O-CB 3.23Å; A136-Q140 WeakPolarHBondContact O-CB 3.45Å; A136-Q140 PolarHBondContact O-N 3.15Å; A136-F147 HydrophobicContact CB-CB 4.08Å; A136-F147 HydrophobicContact CB-CD1 3.77Å; A136-F147 HydrophobicContact CB-CD2 4.34Å; A136-F147 HydrophobicContact CB-CE1 4.29Å; A136-F147 HydrophobicContact CB-CG 3.82Å; A136-Y155 HydrophobicContact CB-CG 4.13Å |
| 137 | E | 96.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 74.5 Ų | 74.5 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.6 | -75.8 | 178.5 | -177 | 0 | 0 | 112.4 | K133 E134 K141 | K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 HydrophobicContact CG-CG 4.49Å; K133-E137 IonicContact NZ-OE1 3.61Å; K133-E137 WeakPolarHBondContact O-CB 3.23Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.4Å; K133-E137 PolarHBondContact O-N 2.92Å; E134-E137 PolarHBondContact O-N 2.81Å; E137-K141 VanDerWaalsContact O-CG 3.31Å; E137-K141 WeakPolarHBondContact O-CG 3.32Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 VanDerWaalsContact O-N 3.11Å |
| 138 | Q | 95.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 76.7 Ų | 76.7 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.9 | -50.4 | 176 | -173.8 | 62.1 | 20.7 | 0 | 0 | 111.2 | E134 E135 A136 Q140 K141 E142 | E134-Q138 WeakPolarHBondContact O-CB 3.24Å; E134-Q138 PolarHBondContact O-N 2.8Å; E135-Q138 PolarHBondContact O-N 3.02Å; A136-Q138 VanDerWaalsContact C-N 3.31Å; A136-Q138 PolarHBondContact O-N 2.89Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 3.48Å; Q138-K141 PolarHBondContact O-N 3.47Å; Q138-K141 VanDerWaalsContact O-N 3.13Å; Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 WeakPolarHBondContact O-CG 3.32Å; Q138-E142 PolarHBondContact O-N 2.91Å |
| 139 | I | 90.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 80.4 Ų | 80.4 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.8 | -63 | 164.3 | 0 | 0 | 0 | 110.7 | Y131 E135 A136 K141 E142 K143 F145 F147 | Y131-I139 HydrophobicContact CD1-CD1 3.73Å; Y131-I139 HydrophobicContact CE1-CD1 3.46Å; Y131-I139 VanDerWaalsContact CE1-CD1 3.46Å; Y131-I139 HydrophobicContact CG-CD1 4.48Å; E135-I139 VanDerWaalsContact O-CG1 3.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.34Å; E135-I139 PolarHBondContact O-N 3.29Å; A136-I139 PolarHBondContact O-N 3.4Å; I139-K141 VanDerWaalsContact C-N 3.35Å; I139-K141 PolarHBondContact O-N 3.19Å; I139-E142 PolarHBondContact O-N 3.34Å; I139-K143 HydrophobicContact CG2-CB 4.44Å; I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 HydrophobicContact CG2-CG 4.38Å; I139-K143 WeakPolarHBondContact O-CB 3.43Å; I139-K143 PolarHBondContact O-N 3.1Å; I139-F145 HydrophobicContact CG2-CD2 3.86Å; I139-F147 HydrophobicContact CB-CE2 4Å; I139-F147 HydrophobicContact CB-CZ 3.98Å; I139-F147 HydrophobicContact CD1-CZ 4.27Å; I139-F147 HydrophobicContact CG2-CE2 3.81Å; I139-F147 HydrophobicContact CG2-CZ 3.74Å |
| 140 | Q | 94.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 77.4 Ų | 77.4 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -42 | 175.3 | 175.6 | 168.6 | -30 | 0 | 0 | 111.9 | A136 Q138 G144 F145 F147 | A136-Q140 VanDerWaalsContact O-CB 3.23Å; A136-Q140 WeakPolarHBondContact O-CB 3.45Å; A136-Q140 PolarHBondContact O-N 3.15Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 3.48Å; Q140-G144 VanDerWaalsContact O-CA 3.23Å; Q140-G144 WeakPolarHBondContact O-CA 3.35Å; Q140-G144 PolarHBondContact O-N 2.93Å; Q140-F145 WeakPolarHBondContact CB-O 3.4Å; Q140-F145 VanDerWaalsContact CG-O 3.23Å; Q140-F145 WeakPolarHBondContact CG-O 3.38Å; Q140-F147 HydrophobicContact CB-CD2 4.26Å |
| 141 | K | 94.8 | Very high | 92 | Very high | 159 Ų | 159 | 77 Ų | 77 | 69% | 0.691 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.5 | -38.9 | 176.6 | -72.5 | 168.2 | -171.3 | 166.6 | 0 | 112.6 | E137 Q138 I139 | E137-K141 VanDerWaalsContact O-CG 3.31Å; E137-K141 WeakPolarHBondContact O-CG 3.32Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 VanDerWaalsContact O-N 3.11Å; Q138-K141 PolarHBondContact O-N 3.47Å; Q138-K141 VanDerWaalsContact O-N 3.13Å; I139-K141 VanDerWaalsContact C-N 3.35Å; I139-K141 PolarHBondContact O-N 3.19Å |
| 142 | E | 91.3 | Very high | 91.5 | Very high | 125 Ų | 125 | 78 Ų | 78 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -77.3 | -42.6 | -176.8 | -71.1 | 175.6 | -179.4 | 0 | 0 | 113 | Q138 I139 | Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 WeakPolarHBondContact O-CG 3.32Å; Q138-E142 PolarHBondContact O-N 2.91Å; I139-E142 PolarHBondContact O-N 3.34Å |
| 143 | K | 86.4 | Confident | 91 | Very high | 78 Ų | 78 | 81.6 Ų | 81.6 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -114 | -7.5 | -168.2 | -56.1 | -167.1 | 179.5 | -169.8 | 0 | 114 | E63 I139 F145 | E63-K143 WeakPolarHBondContact OE1-CE 3.47Å; E63-K143 IonicContact OE1-NZ 3.41Å; E63-K143 PolarHBondContact OE1-NZ 3.33Å; E63-K143 IonicContact OE2-NZ 3.98Å; E63-K143 PolarHBondContact OE2-NZ 3.33Å; I139-K143 HydrophobicContact CG2-CB 4.44Å; I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 HydrophobicContact CG2-CG 4.38Å; I139-K143 WeakPolarHBondContact O-CB 3.43Å; I139-K143 PolarHBondContact O-N 3.1Å; K143-F145 HydrophobicContact CB-CD1 4.19Å; K143-F145 HydrophobicContact CB-CD2 3.87Å; K143-F145 HydrophobicContact CB-CE1 4.17Å; K143-F145 HydrophobicContact CB-CE2 3.87Å; K143-F145 HydrophobicContact CB-CG 4.04Å; K143-F145 HydrophobicContact CB-CZ 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.21Å; K143-F145 HydrophobicContact CD-CE2 3.62Å; K143-F145 HydrophobicContact CD-CZ 4.09Å; K143-F145 HydrophobicContact CG-CE2 4.36Å; K143-F145 PolarHBondContact O-N 2.96Å |
| 144 | G | 89.7 | Confident | 90.8 | Very high | 60 Ų | 60 | 77 Ų | 77 | 62% | 0.619 | 41% | 0.409 | S | S | * | . | trans | 69.1 | 13 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q140 | Q140-G144 VanDerWaalsContact O-CA 3.23Å; Q140-G144 WeakPolarHBondContact O-CA 3.35Å; Q140-G144 PolarHBondContact O-N 2.93Å | ||
| 145 | F | 89.9 | Confident | 90.7 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | trans | -71 | 143.9 | 177.4 | -64.6 | -19.3 | 0 | 0 | 0 | 111.4 | I139 Q140 K143 F147 R157 | I139-F145 HydrophobicContact CG2-CD2 3.86Å; Q140-F145 WeakPolarHBondContact CB-O 3.4Å; Q140-F145 VanDerWaalsContact CG-O 3.23Å; Q140-F145 WeakPolarHBondContact CG-O 3.38Å; K143-F145 HydrophobicContact CB-CD1 4.19Å; K143-F145 HydrophobicContact CB-CD2 3.87Å; K143-F145 HydrophobicContact CB-CE1 4.17Å; K143-F145 HydrophobicContact CB-CE2 3.87Å; K143-F145 HydrophobicContact CB-CG 4.04Å; K143-F145 HydrophobicContact CB-CZ 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.21Å; K143-F145 HydrophobicContact CD-CE2 3.62Å; K143-F145 HydrophobicContact CD-CZ 4.09Å; K143-F145 HydrophobicContact CG-CE2 4.36Å; K143-F145 PolarHBondContact O-N 2.96Å; F145-F147 HydrophobicContact CB-CD2 4.36Å; F145-F147 HydrophobicContact CB-CE2 3.74Å; F145-F147 HydrophobicContact CB-CZ 4.49Å; F145-R157 HydrophobicContact CB-CG 4.31Å | ||
| 146 | I | 92.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | trans | -92 | 133.7 | 176 | -57.2 | 170 | 0 | 0 | 0 | 108.4 | P123 R157 V158 | P123-I146 HydrophobicContact CB-CD1 4.5Å; P123-I146 HydrophobicContact CG-CD1 3.98Å; I146-R157 CarbonylContact O-C 3.57Å; I146-R157 WeakPolarHBondContact O-CA 3.39Å; I146-V158 HydrophobicContact CB-CG2 3.73Å; I146-V158 HydrophobicContact CG2-CG2 3.49Å; I146-V158 VanDerWaalsContact CG2-CG2 3.49Å; I146-V158 WeakPolarHBondContact O-CG2 3.26Å; I146-V158 PolarHBondContact O-N 3.4Å | ||
| 147 | F | 93.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 72 Ų | 72 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.5 | 175.5 | -72.5 | -101.4 | 0 | 0 | 0 | 111 | Y131 A136 I139 Q140 F145 R156 R157 | Y131-F147 HydrophobicContact CD2-CD1 4.28Å; Y131-F147 AromaticContact CD2-CE1 3.57Å; Y131-F147 HydrophobicContact CD2-CE1 3.57Å; Y131-F147 AromaticContact CE2-CE1 3.81Å; Y131-F147 HydrophobicContact CE2-CE1 3.81Å; Y131-F147 HydrophobicContact CE2-CZ 4.49Å; Y131-F147 HydrophobicContact CG-CE1 4.22Å; A136-F147 HydrophobicContact CB-CB 4.08Å; A136-F147 HydrophobicContact CB-CD1 3.77Å; A136-F147 HydrophobicContact CB-CD2 4.34Å; A136-F147 HydrophobicContact CB-CE1 4.29Å; A136-F147 HydrophobicContact CB-CG 3.82Å; I139-F147 HydrophobicContact CB-CE2 4Å; I139-F147 HydrophobicContact CB-CZ 3.98Å; I139-F147 HydrophobicContact CD1-CZ 4.27Å; I139-F147 HydrophobicContact CG2-CE2 3.81Å; I139-F147 HydrophobicContact CG2-CZ 3.74Å; Q140-F147 HydrophobicContact CB-CD2 4.26Å; F145-F147 HydrophobicContact CB-CD2 4.36Å; F145-F147 HydrophobicContact CB-CE2 3.74Å; F145-F147 HydrophobicContact CB-CZ 4.49Å; F147-R156 VanDerWaalsContact CA-O 3.3Å; F147-R156 WeakPolarHBondContact CA-O 3.24Å; F147-R157 HydrophobicContact CD1-CB 4.34Å; F147-R157 VanDerWaalsContact CD1-N 3.3Å; F147-R157 HydrophobicContact CE1-CB 3.94Å; F147-R157 HydrophobicContact CZ-CB 4.12Å |
| 148 | V | 91.9 | Very high | 90 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150.6 | 171.4 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | Y155 R156 V158 | V148-Y155 CarbonylContact O-C 3.58Å; V148-Y155 VanDerWaalsContact O-CA 3.28Å; V148-Y155 WeakPolarHBondContact O-CA 3.5Å; V148-R156 PolarHBondContact N-O 2.96Å; V148-R156 PolarHBondContact O-N 3.32Å; V148-V158 HydrophobicContact CB-CG1 4.11Å; V148-V158 HydrophobicContact CG1-CG1 3.72Å; V148-V158 HydrophobicContact CG1-CG2 4.06Å; V148-V158 HydrophobicContact CG2-CG1 3.35Å |
| 149 | E | 91.9 | Very high | 89.7 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.2 | 167.8 | -161.7 | -67.6 | 136.3 | 0 | 0 | 109 | A151 G152 Y155 | E149-A151 PolarHBondContact OE2-N 2.62Å; E149-A151 VanDerWaalsContact OE2-N 3.15Å; E149-G152 WeakPolarHBondContact OE1-CA 3.44Å; E149-G152 PolarHBondContact OE1-N 3Å; E149-Y155 HydrophobicContact CB-CD1 4.41Å; E149-Y155 HydrophobicContact CB-CE1 4.07Å |
| 150 | D | 84.7 | Confident | 89.9 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | trans | -124.2 | 87 | -177.5 | 179.4 | -0.8 | 0 | 0 | 0 | 111.6 | F130 G152 R153 G154 R156 | F130-D150 HydrophobicContact CE1-CB 3.96Å; D150-G152 PolarHBondContact O-N 3.23Å; D150-R153 VanDerWaalsContact CG-NH2 3.32Å; D150-R153 WeakPolarHBondContact O-CB 3.36Å; D150-R153 PolarHBondContact O-N 3.41Å; D150-R153 VanDerWaalsContact O-N 3.15Å; D150-R153 PolarHBondContact O-NE 2.82Å; D150-R153 IonicContact OD1-CZ 2.64Å; D150-R153 IonicContact OD1-NH2 3.52Å; D150-R153 PolarHBondContact OD1-NH2 3.06Å; D150-R153 IonicContact OD2-NH2 3.74Å; D150-R153 PolarHBondContact OD2-NH2 3.45Å; D150-G154 PolarHBondContact N-O 2.84Å; D150-R156 HydrophobicContact CB-CG 4.5Å; D150-R156 IonicContact OD2-CZ 2.78Å; D150-R156 IonicContact OD2-NE 2.78Å; D150-R156 PolarHBondContact OD2-NE 3.46Å; D150-R156 IonicContact OD2-NH2 2.67Å; D150-R156 PolarHBondContact OD2-NH2 2.63Å | ||
| 151 | A | 79.1 | Confident | 89.9 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 66% | 0.661 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 41.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114 | E149 R153 | E149-A151 PolarHBondContact OE2-N 2.62Å; E149-A151 VanDerWaalsContact OE2-N 3.15Å; A151-R153 PolarHBondContact O-N 2.89Å |
| 152 | G | 82.8 | Confident | 90 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 2.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E149 D150 | E149-G152 WeakPolarHBondContact OE1-CA 3.44Å; E149-G152 PolarHBondContact OE1-N 3Å; D150-G152 PolarHBondContact O-N 3.23Å |
| 153 | R | 84.8 | Confident | 90.2 | Very high | 147 Ų | 147 | 50.4 Ų | 50.4 | 56% | 0.555 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -96 | 1.3 | -174.2 | -60.6 | 177.4 | -64.6 | 177.8 | 0.7 | 113.4 | F130 D150 A151 | F130-R153 HydrophobicContact CD1-CB 3.76Å; F130-R153 VanDerWaalsContact CD1-O 3.27Å; F130-R153 WeakPolarHBondContact CD1-O 3.48Å; F130-R153 HydrophobicContact CE1-CB 3.5Å; F130-R153 HydrophobicContact CZ-CB 4.08Å; D150-R153 VanDerWaalsContact CG-NH2 3.32Å; D150-R153 WeakPolarHBondContact O-CB 3.36Å; D150-R153 PolarHBondContact O-N 3.41Å; D150-R153 VanDerWaalsContact O-N 3.15Å; D150-R153 PolarHBondContact O-NE 2.82Å; D150-R153 IonicContact OD1-CZ 2.64Å; D150-R153 IonicContact OD1-NH2 3.52Å; D150-R153 PolarHBondContact OD1-NH2 3.06Å; D150-R153 IonicContact OD2-NH2 3.74Å; D150-R153 PolarHBondContact OD2-NH2 3.45Å; A151-R153 PolarHBondContact O-N 2.89Å |
| 154 | G | 91.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 19% | 0.186 | 28% | 0.275 | C | S | . | . | trans | 112.5 | -161.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D150 | D150-G154 PolarHBondContact N-O 2.84Š| ||
| 155 | Y | 94 | Very high | 91.2 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 26% | 0.263 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.8 | -174 | -69.3 | -99.7 | 0 | 0 | 0 | 110.8 | F130 Y131 K133 A136 V148 E149 | F130-Y155 WeakPolarHBondContact CA-O 3.14Å; Y131-Y155 PolarHBondContact N-O 3.46Å; Y131-Y155 PolarHBondContact O-N 2.91Å; K133-Y155 HydrophobicContact CB-CD2 4.1Å; K133-Y155 HydrophobicContact CB-CE2 3.56Å; K133-Y155 HydrophobicContact CD-CE2 4.47Å; K133-Y155 HydrophobicContact CG-CE2 3.93Å; A136-Y155 HydrophobicContact CB-CG 4.13Å; V148-Y155 CarbonylContact O-C 3.58Å; V148-Y155 VanDerWaalsContact O-CA 3.28Å; V148-Y155 WeakPolarHBondContact O-CA 3.5Å; E149-Y155 HydrophobicContact CB-CD1 4.41Å; E149-Y155 HydrophobicContact CB-CE1 4.07Å |
| 156 | R | 90.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.1 | 174.4 | -64.5 | -151.7 | -70.9 | 144 | -0.8 | 111.3 | P126 L129 F130 F147 V148 D150 V158 | P126-R156 HydrophobicContact CB-CB 3.88Å; P126-R156 VanDerWaalsContact CB-CZ 3.45Å; P126-R156 VanDerWaalsContact CB-NH2 3.29Å; P126-R156 PolarHBondContact O-NH1 2.87Å; L129-R156 WeakPolarHBondContact O-CG 3.5Å; F130-R156 HydrophobicContact CD1-CG 3.57Å; F130-R156 HydrophobicContact CE1-CG 3.72Å; F130-R156 HydrophobicContact CG-CG 4.05Å; F130-R156 HydrophobicContact CZ-CG 4.31Å; F147-R156 VanDerWaalsContact CA-O 3.3Å; F147-R156 WeakPolarHBondContact CA-O 3.24Å; V148-R156 PolarHBondContact N-O 2.96Å; V148-R156 PolarHBondContact O-N 3.32Å; D150-R156 HydrophobicContact CB-CG 4.5Å; D150-R156 IonicContact OD2-CZ 2.78Å; D150-R156 IonicContact OD2-NE 2.78Å; D150-R156 PolarHBondContact OD2-NE 3.46Å; D150-R156 IonicContact OD2-NH2 2.67Å; D150-R156 PolarHBondContact OD2-NH2 2.63Å; R156-V158 PolarHBondContact O-N 3.3Å |
| 157 | R | 90.1 | Very high | 91.9 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 134.9 | 172.1 | 175.8 | 178.6 | 173.1 | -160.2 | -0.6 | 108.4 | N55 P126 I127 F145 I146 F147 | N55-R157 PolarHBondContact OD1-NH1 2.92Å; P126-R157 CarbonylContact C-O 3.57Å; P126-R157 WeakPolarHBondContact CA-O 3.19Å; I127-R157 HydrophobicContact CD1-CG 4.35Å; I127-R157 HydrophobicContact CG1-CB 4.22Å; I127-R157 HydrophobicContact CG1-CG 4.24Å; I127-R157 WeakPolarHBondContact CG1-O 3.41Å; I127-R157 PolarHBondContact N-O 3.27Å; F145-R157 HydrophobicContact CB-CG 4.31Å; I146-R157 CarbonylContact O-C 3.57Å; I146-R157 WeakPolarHBondContact O-CA 3.39Å; F147-R157 HydrophobicContact CD1-CB 4.34Å; F147-R157 VanDerWaalsContact CD1-N 3.3Å; F147-R157 HydrophobicContact CE1-CB 3.94Å; F147-R157 HydrophobicContact CZ-CB 4.12Å |
| 158 | V | 89.9 | Confident | 92.1 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 147.1 | 172.3 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | P123 K125 P126 I146 V148 R156 | P123-V158 HydrophobicContact CB-CB 4.28Å; P123-V158 HydrophobicContact CB-CG2 3.93Å; P123-V158 WeakPolarHBondContact O-CG2 3.45Å; K125-V158 VanDerWaalsContact O-CA 3.29Å; K125-V158 WeakPolarHBondContact O-CA 3.38Å; P126-V158 HydrophobicContact CB-CG1 4.29Å; I146-V158 HydrophobicContact CB-CG2 3.73Å; I146-V158 HydrophobicContact CG2-CG2 3.49Å; I146-V158 VanDerWaalsContact CG2-CG2 3.49Å; I146-V158 WeakPolarHBondContact O-CG2 3.26Å; I146-V158 PolarHBondContact O-N 3.4Å; V148-V158 HydrophobicContact CB-CG1 4.11Å; V148-V158 HydrophobicContact CG1-CG1 3.72Å; V148-V158 HydrophobicContact CG1-CG2 4.06Å; V148-V158 HydrophobicContact CG2-CG1 3.35Å; R156-V158 PolarHBondContact O-N 3.3Å |
| 159 | V | 90.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 160.7 | 173.7 | -66.5 | 0 | 0 | 0 | 0 | 110 | S124 K125 I127 V207 | S124-V159 PolarHBondContact N-O 3.45Å; K125-V159 HydrophobicContact CB-CG2 4.4Å; K125-V159 PolarHBondContact N-O 2.88Å; K125-V159 VanDerWaalsContact N-O 3.12Å; K125-V159 PolarHBondContact O-N 3.36Å; I127-V159 HydrophobicContact CD1-CG1 3.5Å; I127-V159 HydrophobicContact CD1-CG2 4.28Å; I127-V159 HydrophobicContact CG1-CG1 4.13Å; I127-V159 HydrophobicContact CG1-CG2 4.41Å; I127-V159 HydrophobicContact CG2-CG2 3.76Å; V159-V207 HydrophobicContact CG2-CB 3.96Å; V159-V207 HydrophobicContact CG2-CG2 3.69Å |
| 160 | P | 94 | Very high | 92.8 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | trans | -52.6 | 144.5 | 172.3 | -28.1 | 36.8 | 0 | 0 | 0 | 112.2 | F120 P123 A206 V207 | F120-P160 HydrophobicContact CD1-CB 3.62Å; F120-P160 HydrophobicContact CD1-CG 3.74Å; F120-P160 HydrophobicContact CE1-CB 3.88Å; F120-P160 HydrophobicContact CE1-CG 4.25Å; F120-P160 HydrophobicContact CG-CB 4.27Å; P123-P160 HydrophobicContact CG-CG 4.26Å; P160-A206 HydrophobicContact CB-CB 4.09Å; P160-V207 PolarHBondContact O-N 3.47Å | ||
| 161 | S | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | trans | -134.8 | 67.7 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | V207 | S161-V207 VanDerWaalsContact CA-O 3.24Å; S161-V207 WeakPolarHBondContact CA-O 3.36Å; S161-V207 WeakPolarHBondContact CB-O 3.44Å; S161-V207 PolarHBondContact OG-O 3.18Å | ||
| 162 | P | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 161.6 | -177.6 | 31.4 | -38.5 | 0 | 0 | 0 | 112.2 | V113 D117 F120 A206 | V113-P162 HydrophobicContact CB-CB 3.94Å; V113-P162 HydrophobicContact CB-CG 3.81Å; V113-P162 HydrophobicContact CG1-CB 4.13Å; V113-P162 HydrophobicContact CG1-CG 3.68Å; V113-P162 HydrophobicContact CG2-CB 4.46Å; V113-P162 HydrophobicContact CG2-CG 4.03Å; D117-P162 HydrophobicContact CB-CB 3.69Å; D117-P162 VanDerWaalsContact OD2-CA 3.29Å; D117-P162 WeakPolarHBondContact OD2-CA 3.33Å; D117-P162 WeakPolarHBondContact OD2-CB 3.47Å; F120-P162 HydrophobicContact CE2-CB 3.98Å; F120-P162 HydrophobicContact CE2-CG 4.16Å; F120-P162 HydrophobicContact CZ-CB 4.34Å; F120-P162 HydrophobicContact CZ-CG 4.01Å; P162-A206 HydrophobicContact CG-CB 4.02Å |
| 163 | Q | 96.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 135.9 | 175.8 | -61.7 | -47.7 | -66.7 | 0 | 0 | 111.2 | D117 I165 | D117-Q163 PolarHBondContact OD2-N 3.47Å; Q163-I165 PolarHBondContact O-N 2.79Å |
| 164 | P | 98 | Very high | 95.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 129.6 | 173.1 | 29.3 | -32.6 | 0 | 0 | 0 | 110.6 | V111 I208 K212 L216 | V111-P164 HydrophobicContact CG1-CB 3.57Å; P164-I208 HydrophobicContact CB-CG2 3.88Å; P164-I208 HydrophobicContact CG-CG2 4.07Å; P164-K212 HydrophobicContact CG-CB 3.97Å; P164-L216 HydrophobicContact CB-CD2 3.86Å; P164-L216 HydrophobicContact CG-CD2 4.42Å |
| 165 | I | 98.1 | Very high | 96 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | trans | -97.4 | -53.8 | 178.1 | -61.6 | 177 | 0 | 0 | 0 | 110.6 | E112 D114 Q163 | E112-I165 HydrophobicContact CB-CB 4.35Å; E112-I165 HydrophobicContact CG-CB 4.31Å; E112-I165 WeakPolarHBondContact O-CB 3.37Å; E112-I165 PolarHBondContact O-N 3.3Å; D114-I165 HydrophobicContact CB-CD1 4.01Å; Q163-I165 PolarHBondContact O-N 2.79Å | ||
| 166 | S | 97.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 152.4 | -175.9 | 84.2 | 0 | 0 | 0 | 0 | 111.6 | V111 E112 | V111-S166 CarbonylContact C-O 3.54Å; V111-S166 WeakPolarHBondContact CA-O 3.4Å; E112-S166 VanDerWaalsContact CB-OG 3.25Å; E112-S166 WeakPolarHBondContact CB-OG 3.37Å; E112-S166 PolarHBondContact N-O 3.09Å; E112-S166 PolarHBondContact OE2-OG 2.95Å |
| 167 | I | 98.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.6 | 174.5 | -61.1 | 171.2 | 0 | 0 | 0 | 107.1 | T109 V111 E169 L170 I173 T213 L216 L217 | T109-I167 HydrophobicContact CG2-CG2 3.65Å; V111-I167 HydrophobicContact CG2-CG1 4.19Å; I167-E169 PolarHBondContact O-N 3.01Å; I167-L170 HydrophobicContact CB-CB 4.23Å; I167-L170 HydrophobicContact CG2-CB 4.37Å; I167-L170 VanDerWaalsContact O-CB 3.24Å; I167-L170 WeakPolarHBondContact O-CB 3.38Å; I167-L170 PolarHBondContact O-N 3.09Å; I167-I173 HydrophobicContact CG2-CD1 4.11Å; I167-T213 HydrophobicContact CD1-CG2 4.23Å; I167-T213 HydrophobicContact CG1-CG2 4.38Å; I167-L216 HydrophobicContact CG1-CD2 4.16Å; I167-L217 HydrophobicContact CD1-CB 3.53Å; I167-L217 HydrophobicContact CD1-CD1 3.82Å; I167-L217 HydrophobicContact CD1-CG 4.2Å |
| 168 | I | 98.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -43.1 | -171.9 | -54.4 | -50.3 | 0 | 0 | 0 | 110.8 | Q110 E112 L170 V193 F201 | Q110-I168 HydrophobicContact CB-CB 4.02Å; Q110-I168 HydrophobicContact CB-CG1 3.73Å; Q110-I168 PolarHBondContact O-N 2.88Å; E112-I168 HydrophobicContact CB-CD1 4.19Å; I168-L170 PolarHBondContact O-N 3.42Å; I168-V193 HydrophobicContact CG1-CG2 4.21Å; I168-F201 HydrophobicContact CD1-CD1 4.17Å; I168-F201 HydrophobicContact CD1-CE1 3.5Å; I168-F201 VanDerWaalsContact CD1-CE1 3.5Å; I168-F201 HydrophobicContact CD1-CE2 4.34Å; I168-F201 HydrophobicContact CD1-CZ 3.6Å; I168-F201 HydrophobicContact CG1-CE1 4.31Å; I168-F201 HydrophobicContact CG1-CZ 4.33Å; I168-F201 HydrophobicContact CG2-CE2 4.02Å; I168-F201 HydrophobicContact CG2-CZ 4.29Å |
| 169 | E | 98.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 19.8 | -179.5 | -63.4 | 72.3 | -153.2 | 0 | 0 | 113.7 | L107 T109 Q110 I167 E171 S172 I173 | L107-E169 HydrophobicContact CD2-CB 4.1Å; T109-E169 WeakPolarHBondContact CA-OE2 3.42Å; Q110-E169 PolarHBondContact N-OE2 2.76Å; Q110-E169 PolarHBondContact NE2-OE1 2.98Å; I167-E169 PolarHBondContact O-N 3.01Å; E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.06Å; E169-S172 WeakPolarHBondContact O-CB 3.39Å; E169-S172 PolarHBondContact O-N 2.83Å; E169-S172 VanDerWaalsContact O-N 3.15Å; E169-I173 WeakPolarHBondContact O-CG1 3.29Å; E169-I173 PolarHBondContact O-N 3.04Å |
| 170 | L | 98.5 | Very high | 96.9 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | -176.3 | 178.1 | 64.6 | 0 | 0 | 0 | 113.3 | I167 I168 S172 I173 K174 L217 N220 I221 | I167-L170 HydrophobicContact CB-CB 4.23Å; I167-L170 HydrophobicContact CG2-CB 4.37Å; I167-L170 VanDerWaalsContact O-CB 3.24Å; I167-L170 WeakPolarHBondContact O-CB 3.38Å; I167-L170 PolarHBondContact O-N 3.09Å; I168-L170 PolarHBondContact O-N 3.42Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-I173 WeakPolarHBondContact O-CB 3.47Å; L170-I173 PolarHBondContact O-N 3.38Å; L170-K174 HydrophobicContact CG-CD 4.41Å; L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.28Å; L170-L217 HydrophobicContact CD1-CD1 4Å; L170-N220 HydrophobicContact CD1-CB 3.81Å; L170-N220 HydrophobicContact CD2-CB 3.68Å; L170-N220 HydrophobicContact CG-CB 4.41Å; L170-I221 HydrophobicContact CD1-CG2 3.83Å |
| 171 | E | 98.3 | Very high | 97.1 | Very high | 118 Ų | 118 | 54.1 Ų | 54.1 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -69.4 | -33.2 | -179.4 | -66 | -54.1 | 124.5 | 0 | 0 | 112.3 | E169 K174 T175 | E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.06Å; E171-K174 PolarHBondContact O-N 3.01Å; E171-K174 WeakPolarHBondContact OE1-CD 2.99Å; E171-K174 IonicContact OE1-NZ 2.76Å; E171-K174 PolarHBondContact OE1-NZ 2.96Å; E171-T175 WeakPolarHBondContact O-CB 3.29Å; E171-T175 PolarHBondContact O-N 3.46Å; E171-T175 PolarHBondContact O-OG1 3.42Å |
| 172 | S | 98.4 | Very high | 97.2 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 171.6 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | E169 L170 T175 L176 | E169-S172 WeakPolarHBondContact O-CB 3.39Å; E169-S172 PolarHBondContact O-N 2.83Å; E169-S172 VanDerWaalsContact O-N 3.15Å; L170-S172 VanDerWaalsContact C-N 3.34Å; S172-T175 PolarHBondContact O-N 3.32Å; S172-L176 WeakPolarHBondContact O-CG 2.96Å; S172-L176 PolarHBondContact O-N 3.49Å |
| 173 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 176 | -66.7 | 164.6 | 0 | 0 | 0 | 110.5 | V42 L107 I167 E169 L170 T175 L176 I177 V183 A185 L217 | V42-I173 HydrophobicContact CG1-CG2 4.37Å; V42-I173 HydrophobicContact CG2-CG2 4.49Å; L107-I173 HydrophobicContact CD2-CG1 4.2Å; I167-I173 HydrophobicContact CG2-CD1 4.11Å; E169-I173 WeakPolarHBondContact O-CG1 3.29Å; E169-I173 PolarHBondContact O-N 3.04Å; L170-I173 WeakPolarHBondContact O-CB 3.47Å; L170-I173 PolarHBondContact O-N 3.38Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 2.94Å; I173-L176 PolarHBondContact O-N 3.05Å; I173-I177 HydrophobicContact CG2-CD1 3.6Å; I173-I177 HydrophobicContact CG2-CG1 4.4Å; I173-I177 WeakPolarHBondContact O-CD1 3.49Å; I173-I177 VanDerWaalsContact O-CG1 3.27Å; I173-I177 WeakPolarHBondContact O-CG1 3.1Å; I173-I177 PolarHBondContact O-N 2.8Å; I173-V183 HydrophobicContact CG1-CG1 4.43Å; I173-V183 HydrophobicContact CG2-CG1 4.39Å; I173-A185 HydrophobicContact CD1-CB 3.65Å; I173-A185 HydrophobicContact CG1-CB 4.01Å; I173-L217 HydrophobicContact CD1-CD1 4.22Å; I173-L217 HydrophobicContact CG2-CD1 4.2Å |
| 174 | K | 97.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 176.7 | -73.7 | 174.7 | -176.1 | 167.1 | 0 | 112.3 | L170 E171 K178 N220 I221 | L170-K174 HydrophobicContact CG-CD 4.41Å; L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.28Å; E171-K174 PolarHBondContact O-N 3.01Å; E171-K174 WeakPolarHBondContact OE1-CD 2.99Å; E171-K174 IonicContact OE1-NZ 2.76Å; E171-K174 PolarHBondContact OE1-NZ 2.96Å; K174-K178 VanDerWaalsContact O-CB 3.29Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.21Å; K174-N220 WeakPolarHBondContact CE-O 3.47Å; K174-I221 HydrophobicContact CG-CG2 3.96Å |
| 175 | T | 98 | Very high | 97.4 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 179.2 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | E171 S172 I173 N179 | E171-T175 WeakPolarHBondContact O-CB 3.29Å; E171-T175 PolarHBondContact O-N 3.46Å; E171-T175 PolarHBondContact O-OG1 3.42Å; S172-T175 PolarHBondContact O-N 3.32Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 2.94Å; T175-N179 PolarHBondContact O-N 2.59Å; T175-N179 PolarHBondContact O-ND2 3.14Å |
| 176 | L | 97.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 179.6 | -73 | 167.5 | 0 | 0 | 0 | 112.4 | V105 L107 S172 I173 K178 N179 D180 T181 V183 | V105-L176 HydrophobicContact CG1-CD1 3.79Å; V105-L176 HydrophobicContact CG1-CD2 4.47Å; L107-L176 HydrophobicContact CD1-CD1 3.29Å; L107-L176 HydrophobicContact CD2-CD1 4.4Å; L107-L176 HydrophobicContact CG-CD1 4.48Å; S172-L176 WeakPolarHBondContact O-CG 2.96Å; S172-L176 PolarHBondContact O-N 3.49Å; I173-L176 PolarHBondContact O-N 3.05Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.79Å; L176-N179 CarbonylContact O-C 3.54Å; L176-N179 PolarHBondContact O-N 2.79Å; L176-D180 PolarHBondContact O-N 2.82Å; L176-T181 HydrophobicContact CB-CG2 4.44Å; L176-T181 HydrophobicContact CD2-CG2 4.25Å; L176-T181 VanDerWaalsContact O-CB 3.28Å; L176-T181 WeakPolarHBondContact O-CB 3.47Å; L176-T181 PolarHBondContact O-N 3.21Å; L176-T181 PolarHBondContact O-OG1 3.33Å; L176-V183 HydrophobicContact CB-CG2 3.5Å; L176-V183 HydrophobicContact CD1-CG2 4.18Å; L176-V183 HydrophobicContact CG-CG2 4.49Å |
| 177 | I | 95.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.1 | -61.3 | 156.8 | 0 | 0 | 0 | 110.7 | E40 V42 I173 N179 D180 V183 I221 | E40-I177 HydrophobicContact CB-CG2 3.9Å; E40-I177 HydrophobicContact CG-CG2 4.23Å; V42-I177 HydrophobicContact CG2-CD1 3.12Å; V42-I177 HydrophobicContact CG2-CG1 3.68Å; I173-I177 HydrophobicContact CG2-CD1 3.6Å; I173-I177 HydrophobicContact CG2-CG1 4.4Å; I173-I177 WeakPolarHBondContact O-CD1 3.49Å; I173-I177 VanDerWaalsContact O-CG1 3.27Å; I173-I177 WeakPolarHBondContact O-CG1 3.1Å; I173-I177 PolarHBondContact O-N 2.8Å; I177-N179 PolarHBondContact O-N 3.47Å; I177-D180 WeakPolarHBondContact O-CA 3.27Å; I177-D180 PolarHBondContact O-N 2.96Å; I177-V183 HydrophobicContact CG1-CG2 4.03Å; I177-I221 HydrophobicContact CD1-CD1 4.2Å |
| 178 | K | 93.8 | Very high | 97.2 | Very high | 179 Ų | 179 | 42.8 Ų | 42.8 | 78% | 0.778 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.8 | -26.9 | 177.6 | -176.2 | -179.8 | 176.4 | -174.5 | 0 | 112.7 | K174 L176 D180 | K174-K178 VanDerWaalsContact O-CB 3.29Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.21Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.79Å; K178-D180 VanDerWaalsContact C-N 3.27Å |
| 179 | N | 95.1 | Very high | 97.1 | Very high | 115 Ų | 115 | 40.5 Ų | 40.5 | 62% | 0.615 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 24.5 | 173.7 | -73 | -70.4 | 0 | 0 | 0 | 112.4 | T175 L176 I177 T181 | T175-N179 PolarHBondContact O-N 2.59Å; T175-N179 PolarHBondContact O-ND2 3.14Å; L176-N179 CarbonylContact O-C 3.54Å; L176-N179 PolarHBondContact O-N 2.79Å; I177-N179 PolarHBondContact O-N 3.47Å; N179-T181 PolarHBondContact O-N 3.33Å; N179-T181 VanDerWaalsContact O-N 3.11Å |
| 180 | D | 93.6 | Very high | 97.1 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 51% | 0.508 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 28.5 | 177.3 | -161.4 | 43.1 | 0 | 0 | 0 | 113.8 | K102 L176 I177 K178 | K102-D180 WeakPolarHBondContact CE-OD2 3.34Å; K102-D180 PolarHBondContact NZ-O 3.49Å; K102-D180 IonicContact NZ-OD1 2.66Å; K102-D180 PolarHBondContact NZ-OD1 3.3Å; K102-D180 IonicContact NZ-OD2 3.05Å; K102-D180 PolarHBondContact NZ-OD2 3.24Å; L176-D180 PolarHBondContact O-N 2.82Å; I177-D180 WeakPolarHBondContact O-CA 3.27Å; I177-D180 PolarHBondContact O-N 2.96Å; K178-D180 VanDerWaalsContact C-N 3.27Å |
| 181 | T | 96.7 | Very high | 97.1 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | trans | -85.4 | 134.8 | 172.7 | -58 | 0 | 0 | 0 | 0 | 110.1 | Q103 V105 L176 N179 V183 | Q103-T181 HydrophobicContact CB-CG2 4.05Å; V105-T181 HydrophobicContact CB-CG2 4.36Å; V105-T181 HydrophobicContact CG1-CG2 3.73Å; L176-T181 HydrophobicContact CB-CG2 4.44Å; L176-T181 HydrophobicContact CD2-CG2 4.25Å; L176-T181 VanDerWaalsContact O-CB 3.28Å; L176-T181 WeakPolarHBondContact O-CB 3.47Å; L176-T181 PolarHBondContact O-N 3.21Å; L176-T181 PolarHBondContact O-OG1 3.33Å; N179-T181 PolarHBondContact O-N 3.33Å; N179-T181 VanDerWaalsContact O-N 3.11Å; T181-V183 HydrophobicContact CG2-CG2 4.37Å; T181-V183 PolarHBondContact O-N 2.92Å | ||
| 182 | L | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116.5 | 168.5 | 179.7 | 64.3 | 0 | 0 | 0 | 109.1 | I35 I41 I43 L91 L95 K102 Q103 V104 V105 | I35-L182 HydrophobicContact CD1-CD1 3.98Å; I35-L182 HydrophobicContact CD1-CD2 3.49Å; I35-L182 VanDerWaalsContact CD1-CD2 3.49Å; I35-L182 HydrophobicContact CD1-CG 4.28Å; I41-L182 HydrophobicContact CB-CD1 3.78Å; I41-L182 HydrophobicContact CG2-CD1 4.16Å; I43-L182 HydrophobicContact CD1-CD1 3.91Å; I43-L182 HydrophobicContact CD1-CD2 4.24Å; I43-L182 HydrophobicContact CD1-CG 4.25Å; I43-L182 HydrophobicContact CG1-CD1 4.41Å; L91-L182 HydrophobicContact CB-CD2 4.19Å; L91-L182 HydrophobicContact CD1-CD2 3.91Å; L91-L182 HydrophobicContact CD2-CD2 4.16Å; L91-L182 HydrophobicContact CG-CD2 4.31Å; L95-L182 HydrophobicContact CD1-CD2 4.48Å; K102-L182 HydrophobicContact CD-CB 4.43Å; Q103-L182 PolarHBondContact O-N 3.3Å; V104-L182 WeakPolarHBondContact CA-O 3.45Å; V104-L182 HydrophobicContact CB-CB 4.42Å; V104-L182 HydrophobicContact CB-CD2 4.45Å; V104-L182 HydrophobicContact CG1-CB 4.26Å; V104-L182 HydrophobicContact CG1-CD2 3.87Å; V104-L182 HydrophobicContact CG1-CG 4.1Å; V104-L182 HydrophobicContact CG2-CB 4.11Å; V104-L182 HydrophobicContact CG2-CD2 3.84Å; V104-L182 HydrophobicContact CG2-CG 4.46Å; V105-L182 PolarHBondContact N-O 3.15Å |
| 183 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.1 | -174 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | V42 I43 V105 I173 L176 I177 T181 A185 | V42-V183 CarbonylContact C-O 3.57Å; V42-V183 WeakPolarHBondContact CA-O 3.45Å; V42-V183 HydrophobicContact CG1-CB 4.23Å; V42-V183 HydrophobicContact CG1-CG1 4.34Å; I43-V183 PolarHBondContact N-O 2.96Å; V105-V183 HydrophobicContact CG1-CG2 4.33Å; I173-V183 HydrophobicContact CG1-CG1 4.43Å; I173-V183 HydrophobicContact CG2-CG1 4.39Å; L176-V183 HydrophobicContact CB-CG2 3.5Å; L176-V183 HydrophobicContact CD1-CG2 4.18Å; L176-V183 HydrophobicContact CG-CG2 4.49Å; I177-V183 HydrophobicContact CG1-CG2 4.03Å; T181-V183 HydrophobicContact CG2-CG2 4.37Å; T181-V183 PolarHBondContact O-N 2.92Å; V183-A185 HydrophobicContact CG1-CB 3.93Å |
| 184 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.1 | 163.5 | -55.3 | 157 | 0 | 0 | 0 | 106.9 | I43 L87 Q88 L91 V104 V105 T106 L107 | I43-I184 HydrophobicContact CB-CG1 4.27Å; I43-I184 HydrophobicContact CD1-CG1 4.49Å; I43-I184 CarbonylContact O-C 3.57Å; I43-I184 VanDerWaalsContact O-CA 3.27Å; I43-I184 WeakPolarHBondContact O-CA 3.28Å; L87-I184 HydrophobicContact CB-CD1 3.76Å; L87-I184 HydrophobicContact CD1-CG2 4.41Å; Q88-I184 HydrophobicContact CB-CD1 3.97Å; L91-I184 HydrophobicContact CD1-CD1 4.08Å; L91-I184 HydrophobicContact CD1-CG1 4.4Å; V104-I184 HydrophobicContact CG1-CD1 4.11Å; V105-I184 PolarHBondContact O-N 3.19Å; T106-I184 CarbonylContact C-O 3.42Å; T106-I184 WeakPolarHBondContact CA-O 3.45Å; T106-I184 HydrophobicContact CG2-CG2 4.43Å; L107-I184 PolarHBondContact N-O 3.21Å |
| 185 | A | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | trans | -146.3 | 170 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V42 I43 S44 L107 I173 V183 G187 | V42-A185 HydrophobicContact CG1-CB 4.46Å; I43-A185 PolarHBondContact O-N 2.88Å; S44-A185 VanDerWaalsContact CA-O 3.31Å; S44-A185 WeakPolarHBondContact CA-O 3.34Å; S44-A185 WeakPolarHBondContact CB-O 3.48Å; L107-A185 HydrophobicContact CB-CB 4.45Å; I173-A185 HydrophobicContact CD1-CB 3.65Å; I173-A185 HydrophobicContact CG1-CB 4.01Å; V183-A185 HydrophobicContact CG1-CB 3.93Å; A185-G187 PolarHBondContact O-N 2.79Å; A185-G187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | A | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 53.6 | 34.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T109 G188 G189 G190 T213 | T109-A186 HydrophobicContact CG2-CB 4.29Å; T109-A186 PolarHBondContact OG1-N 2.74Å; A186-G188 PolarHBondContact O-N 3.36Å; A186-G189 WeakPolarHBondContact O-CA 3.5Å; A186-G189 PolarHBondContact O-N 3.23Å; A186-G190 PolarHBondContact O-N 2.64Å; A186-T213 HydrophobicContact CB-CG2 3.72Å |
| 187 | G | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -57.7 | 130 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H45 Q80 A185 G189 G190 | H45-G187 WeakPolarHBondContact CE1-CA 3.36Å; H45-G187 WeakPolarHBondContact NE2-CA 3.31Å; Q80-G187 VanDerWaalsContact CG-O 3.26Å; Q80-G187 WeakPolarHBondContact CG-O 3.37Å; Q80-G187 PolarHBondContact NE2-O 2.9Å; A185-G187 PolarHBondContact O-N 2.79Å; A185-G187 VanDerWaalsContact O-N 3.16Å; G187-G189 PolarHBondContact O-N 3.21Å; G187-G190 PolarHBondContact O-N 3.39Å; G187-G190 VanDerWaalsContact O-N 3.14Å |
| 188 | G | 95 | Very high | 95.9 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | 70.6 | 11.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | H45 N47 A186 | H45-G188 WeakPolarHBondContact O-CA 3.39Å; H45-G188 PolarHBondContact O-N 3.03Å; N47-G188 WeakPolarHBondContact OD1-CA 3.29Å; A186-G188 PolarHBondContact O-N 3.36Å |
| 189 | G | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | 89.3 | 0.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V111 A186 G187 T213 | V111-G189 WeakPolarHBondContact CG2-O 3.29Å; A186-G189 WeakPolarHBondContact O-CA 3.5Å; A186-G189 PolarHBondContact O-N 3.23Å; G187-G189 PolarHBondContact O-N 3.21Å; G189-T213 WeakPolarHBondContact O-CB 3.24Å; G189-T213 WeakPolarHBondContact O-CG2 3.15Å; G189-T213 PolarHBondContact O-OG1 3.32Å |
| 190 | G | 98.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | 96.5 | 160.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T109 A186 G187 P192 | T109-G190 CarbonylContact O-C 3.55Å; T109-G190 WeakPolarHBondContact O-CA 3.28Å; A186-G190 PolarHBondContact O-N 2.64Å; G187-G190 PolarHBondContact O-N 3.39Å; G187-G190 VanDerWaalsContact O-N 3.14Å; G190-P192 WeakPolarHBondContact O-CD 3.39Å | ||
| 191 | I | 98.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 115.2 | 171.1 | -60.7 | 155.9 | 0 | 0 | 0 | 106.9 | A73 A77 V108 T109 Q110 V111 V193 | A73-I191 HydrophobicContact CB-CG2 4.07Å; A77-I191 HydrophobicContact CB-CD1 3.52Å; A77-I191 HydrophobicContact CB-CG1 4.01Å; V108-I191 HydrophobicContact CG1-CD1 3.56Å; T109-I191 PolarHBondContact O-N 3.4Å; Q110-I191 CarbonylContact C-O 3.58Å; Q110-I191 WeakPolarHBondContact CA-O 3.3Å; Q110-I191 HydrophobicContact CG-CB 4.38Å; V111-I191 PolarHBondContact N-O 3.45Å; I191-V193 HydrophobicContact CG2-CG1 4.43Å; I191-V193 PolarHBondContact O-N 2.93Å |
| 192 | P | 98 | Very high | 95.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.4 | 179.7 | 23.9 | -30.9 | 0 | 0 | 0 | 111.1 | V111 V113 G190 G203 I204 A206 I208 | V111-P192 WeakPolarHBondContact O-CA 3.35Å; V113-P192 HydrophobicContact CG1-CB 4.43Å; V113-P192 HydrophobicContact CG2-CB 4.34Å; G190-P192 WeakPolarHBondContact O-CD 3.39Å; P192-G203 WeakPolarHBondContact O-CA 3.48Å; P192-I204 HydrophobicContact CB-CG2 3.95Å; P192-I204 VanDerWaalsContact CG-O 3.28Å; P192-I204 WeakPolarHBondContact CG-O 3.37Å; P192-I204 PolarHBondContact O-N 3.09Å; P192-A206 HydrophobicContact CB-CB 4.13Å; P192-A206 HydrophobicContact CG-CB 3.98Å; P192-A206 WeakPolarHBondContact CG-O 3.43Å; P192-I208 HydrophobicContact CB-CD1 3.9Å; P192-I208 HydrophobicContact CB-CG1 4.02Å |
| 193 | V | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.2 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | Q110 V111 E112 V113 I168 I191 F201 K202 | Q110-V193 HydrophobicContact CB-CG1 4.13Å; Q110-V193 HydrophobicContact CB-CG2 4.08Å; Q110-V193 HydrophobicContact CG-CG1 4.13Å; V111-V193 PolarHBondContact O-N 3.47Å; E112-V193 CarbonylContact C-O 3.55Å; E112-V193 VanDerWaalsContact CA-O 3.29Å; E112-V193 WeakPolarHBondContact CA-O 3.41Å; V113-V193 PolarHBondContact N-O 3.15Å; I168-V193 HydrophobicContact CG1-CG2 4.21Å; I191-V193 HydrophobicContact CG2-CG1 4.43Å; I191-V193 PolarHBondContact O-N 2.93Å; V193-F201 HydrophobicContact CB-CB 4.19Å; V193-F201 HydrophobicContact CG2-CB 4.3Å; V193-F201 HydrophobicContact CG2-CD1 3.98Å; V193-F201 HydrophobicContact CG2-CG 4.38Å; V193-K202 CarbonylContact C-O 3.59Å; V193-K202 WeakPolarHBondContact CA-O 3.5Å |
| 194 | I | 97.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.108 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 153.2 | 168.4 | 60 | 171.8 | 0 | 0 | 0 | 109.3 | V113 E115 F201 K202 I204 | V113-I194 HydrophobicContact CG2-CG2 4.04Å; E115-I194 HydrophobicContact CB-CB 4.43Å; E115-I194 HydrophobicContact CB-CD1 4.17Å; E115-I194 HydrophobicContact CB-CG2 3.92Å; I194-F201 WeakPolarHBondContact O-CA 3.34Å; I194-K202 HydrophobicContact CG1-CB 4.34Å; I194-K202 PolarHBondContact N-O 2.91Å; I194-K202 PolarHBondContact O-N 3.24Å; I194-I204 HydrophobicContact CG2-CD1 4.32Å; I194-I204 HydrophobicContact CG2-CG2 4.25Å |
| 195 | R | 95.1 | Very high | 95.1 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.4 | 170.1 | -79.6 | -176 | -158.8 | -93.9 | -14.5 | 110.2 | E112 G200 F201 | E112-R195 WeakPolarHBondContact OE1-CD 3.43Å; E112-R195 WeakPolarHBondContact OE1-CG 3.24Å; E112-R195 IonicContact OE1-CZ 2.68Å; E112-R195 IonicContact OE1-NE 2.71Å; E112-R195 PolarHBondContact OE1-NE 3.37Å; E112-R195 IonicContact OE1-NH2 2.74Å; E112-R195 IonicContact OE2-CZ 3.24Å; E112-R195 IonicContact OE2-NE 3.11Å; E112-R195 PolarHBondContact OE2-NE 3.05Å; E112-R195 IonicContact OE2-NH2 2.82Å; E112-R195 PolarHBondContact OE2-NH2 3.21Å; R195-G200 WeakPolarHBondContact CA-O 3.33Å; R195-F201 HydrophobicContact CG-CD1 4.29Å; R195-F201 HydrophobicContact CG-CE1 3.87Å |
| 196 | E | 91.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 53.4 Ų | 53.4 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | trans | -104.8 | -178.2 | 167.4 | -69.4 | -163.2 | 130.8 | 0 | 0 | 110.7 | G200 K202 | E196-G200 PolarHBondContact N-O 3.26Å; E196-K202 VanDerWaalsContact CD-CB 3.49Å; E196-K202 HydrophobicContact CG-CB 3.76Å; E196-K202 HydrophobicContact CG-CD 4.5Å; E196-K202 WeakPolarHBondContact OE1-CD 3.48Å | ||
| 197 | Q | 88.5 | Confident | 94.6 | Very high | 164 Ų | 164 | 53.8 Ų | 53.8 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -58.4 | 152.5 | 171.8 | -62.3 | -176.6 | -5.7 | 0 | 0 | 110.9 | D199 G200 | Q197-D199 VanDerWaalsContact C-N 3.32Å; Q197-D199 PolarHBondContact O-N 3.37Å; Q197-G200 PolarHBondContact O-N 2.98Å |
| 198 | H | 89.4 | Confident | 94.5 | Very high | 181 Ų | 181 | 53.8 Ų | 53.8 | 84% | 0.838 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 60.2 | 33.7 | 178.6 | -50.9 | -66.8 | 0 | 0 | 0 | 115 | G200 | H198-G200 PolarHBondContact O-N 3.12Å; H198-G200 VanDerWaalsContact O-N 3.17Å |
| 199 | D | 86 | Confident | 94.4 | Very high | 127 Ų | 127 | 54 Ų | 54 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | 58.1 | 25.3 | -179.3 | -62.1 | -46.8 | 0 | 0 | 0 | 113.9 | Q197 | Q197-D199 VanDerWaalsContact C-N 3.32Å; Q197-D199 PolarHBondContact O-N 3.37Å |
| 200 | G | 94.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | trans | -75 | 164.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R195 E196 Q197 H198 | R195-G200 WeakPolarHBondContact CA-O 3.33Å; E196-G200 PolarHBondContact N-O 3.26Å; Q197-G200 PolarHBondContact O-N 2.98Å; H198-G200 PolarHBondContact O-N 3.12Å; H198-G200 VanDerWaalsContact O-N 3.17Å | ||
| 201 | F | 96.5 | Very high | 94.2 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 31% | 0.311 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.9 | 174.2 | -60.9 | -74.3 | 0 | 0 | 0 | 110.3 | I168 V193 I194 R195 | I168-F201 HydrophobicContact CD1-CD1 4.17Å; I168-F201 HydrophobicContact CD1-CE1 3.5Å; I168-F201 VanDerWaalsContact CD1-CE1 3.5Å; I168-F201 HydrophobicContact CD1-CE2 4.34Å; I168-F201 HydrophobicContact CD1-CZ 3.6Å; I168-F201 HydrophobicContact CG1-CE1 4.31Å; I168-F201 HydrophobicContact CG1-CZ 4.33Å; I168-F201 HydrophobicContact CG2-CE2 4.02Å; I168-F201 HydrophobicContact CG2-CZ 4.29Å; V193-F201 HydrophobicContact CB-CB 4.19Å; V193-F201 HydrophobicContact CG2-CB 4.3Å; V193-F201 HydrophobicContact CG2-CD1 3.98Å; V193-F201 HydrophobicContact CG2-CG 4.38Å; I194-F201 WeakPolarHBondContact O-CA 3.34Å; R195-F201 HydrophobicContact CG-CD1 4.29Å; R195-F201 HydrophobicContact CG-CE1 3.87Å |
| 202 | K | 96.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.8 | 175.4 | 173.3 | 174.1 | 171.8 | -172 | 0 | 110.9 | V193 I194 E196 | V193-K202 CarbonylContact C-O 3.59Å; V193-K202 WeakPolarHBondContact CA-O 3.5Å; I194-K202 HydrophobicContact CG1-CB 4.34Å; I194-K202 PolarHBondContact N-O 2.91Å; I194-K202 PolarHBondContact O-N 3.24Å; E196-K202 VanDerWaalsContact CD-CB 3.49Å; E196-K202 HydrophobicContact CG-CB 3.76Å; E196-K202 HydrophobicContact CG-CD 4.5Å; E196-K202 WeakPolarHBondContact OE1-CD 3.48Å |
| 203 | G | 96.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 138.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P192 | P192-G203 WeakPolarHBondContact O-CA 3.48Å |
| 204 | I | 95.2 | Very high | 94.2 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | trans | -126.8 | 147.4 | 176.1 | -168.4 | 163.2 | 0 | 0 | 0 | 110.4 | V113 F120 P192 I194 A206 | V113-I204 HydrophobicContact CG2-CG2 3.99Å; F120-I204 HydrophobicContact CD1-CD1 4.33Å; F120-I204 HydrophobicContact CE1-CD1 3.56Å; F120-I204 HydrophobicContact CE1-CG1 3.79Å; F120-I204 HydrophobicContact CE1-CG2 4.41Å; F120-I204 HydrophobicContact CE2-CD1 4.34Å; F120-I204 HydrophobicContact CZ-CD1 3.57Å; F120-I204 HydrophobicContact CZ-CG1 4.05Å; F120-I204 HydrophobicContact CZ-CG2 4.01Å; P192-I204 HydrophobicContact CB-CG2 3.95Å; P192-I204 VanDerWaalsContact CG-O 3.28Å; P192-I204 WeakPolarHBondContact CG-O 3.37Å; P192-I204 PolarHBondContact O-N 3.09Å; I194-I204 HydrophobicContact CG2-CD1 4.32Å; I194-I204 HydrophobicContact CG2-CG2 4.25Å; I204-A206 PolarHBondContact O-N 2.92Å | ||
| 205 | D | 91.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -75.1 | 94.1 | -177.4 | -73.4 | -13.1 | 0 | 0 | 0 | 111.6 | F72 | F72-D205 WeakPolarHBondContact CA-OD1 3.34Å; F72-D205 HydrophobicContact CB-CB 3.94Å; F72-D205 VanDerWaalsContact CB-OD1 3.27Å; F72-D205 WeakPolarHBondContact CB-OD1 3.49Å; F72-D205 PolarHBondContact N-OD1 3.28Å |
| 206 | A | 93.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -153.1 | 172.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F120 P160 P162 P192 I204 | F120-A206 HydrophobicContact CE1-CB 4.06Å; F120-A206 HydrophobicContact CZ-CB 4.28Å; P160-A206 HydrophobicContact CB-CB 4.09Å; P162-A206 HydrophobicContact CG-CB 4.02Å; P192-A206 HydrophobicContact CB-CB 4.13Å; P192-A206 HydrophobicContact CG-CB 3.98Å; P192-A206 WeakPolarHBondContact CG-O 3.43Å; I204-A206 PolarHBondContact O-N 2.92Å | ||
| 207 | V | 93.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | trans | -129.6 | 117.7 | 166.3 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | F72 K125 I127 V159 P160 S161 | F72-V207 HydrophobicContact CD1-CG2 4.17Å; F72-V207 HydrophobicContact CE1-CG2 3.32Å; F72-V207 HydrophobicContact CZ-CG2 4.09Å; K125-V207 HydrophobicContact CG-CB 4.1Å; K125-V207 HydrophobicContact CG-CG1 3.96Å; I127-V207 HydrophobicContact CG2-CG2 4.05Å; V159-V207 HydrophobicContact CG2-CB 3.96Å; V159-V207 HydrophobicContact CG2-CG2 3.69Å; P160-V207 PolarHBondContact O-N 3.47Å; S161-V207 VanDerWaalsContact CA-O 3.24Å; S161-V207 WeakPolarHBondContact CA-O 3.36Å; S161-V207 WeakPolarHBondContact CB-O 3.44Å; S161-V207 PolarHBondContact OG-O 3.18Å | ||
| 208 | I | 95.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -78.3 | 144.4 | 177.7 | -53.8 | 173.1 | 0 | 0 | 0 | 109.2 | V111 V113 P164 P192 K210 T213 | V111-I208 HydrophobicContact CB-CD1 3.52Å; V111-I208 HydrophobicContact CG1-CD1 3.49Å; V111-I208 VanDerWaalsContact CG1-CD1 3.49Å; V113-I208 HydrophobicContact CG1-CD1 3.56Å; V113-I208 HydrophobicContact CG1-CG1 3.96Å; P164-I208 HydrophobicContact CB-CG2 3.88Å; P164-I208 HydrophobicContact CG-CG2 4.07Å; P192-I208 HydrophobicContact CB-CD1 3.9Å; P192-I208 HydrophobicContact CB-CG1 4.02Å; I208-K210 PolarHBondContact O-N 3.38Å; I208-K210 VanDerWaalsContact O-N 3.15Å; I208-T213 WeakPolarHBondContact CG2-OG1 3.06Å | ||
| 209 | D | 93.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | trans | -67.2 | 116.7 | 174 | -168.4 | -82.9 | 0 | 0 | 0 | 111.3 | K125 D211 K212 T213 | K125-D209 IonicContact NZ-OD2 2.62Å; K125-D209 PolarHBondContact NZ-OD2 3.06Å; D209-D211 VanDerWaalsContact C-N 3.27Å; D209-D211 PolarHBondContact O-N 2.91Å; D209-D211 WeakPolarHBondContact OD1-CB 3.15Å; D209-D211 PolarHBondContact OD1-N 2.85Å; D209-K212 HydrophobicContact CB-CB 4.15Å; D209-K212 HydrophobicContact CB-CD 4.08Å; D209-K212 HydrophobicContact CB-CG 3.94Å; D209-K212 PolarHBondContact O-N 3.42Å; D209-K212 VanDerWaalsContact O-N 3.12Å; D209-K212 PolarHBondContact OD1-N 2.92Å; D209-T213 PolarHBondContact O-N 2.87Å; D209-T213 PolarHBondContact O-OG1 3.42Å | ||
| 210 | K | 93.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -32.5 | -177 | 67.1 | 104.6 | 179.7 | 166 | 0 | 114 | A7 L8 I208 S214 | A7-K210 PolarHBondContact O-NZ 3.36Å; L8-K210 VanDerWaalsContact O-CE 3.24Å; L8-K210 WeakPolarHBondContact O-CE 3.28Å; L8-K210 PolarHBondContact O-NZ 3.34Å; I208-K210 PolarHBondContact O-N 3.38Å; I208-K210 VanDerWaalsContact O-N 3.15Å; K210-S214 WeakPolarHBondContact O-CB 3.32Å; K210-S214 PolarHBondContact O-N 3.15Å; K210-S214 PolarHBondContact O-OG 3.06Å |
| 211 | D | 96.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73 | -38.9 | 178.8 | -58.7 | -48.4 | 0 | 0 | 0 | 109.7 | D209 S214 A215 I228 K272 A275 | D209-D211 VanDerWaalsContact C-N 3.27Å; D209-D211 PolarHBondContact O-N 2.91Å; D209-D211 WeakPolarHBondContact OD1-CB 3.15Å; D209-D211 PolarHBondContact OD1-N 2.85Å; D211-S214 WeakPolarHBondContact O-CB 3.28Å; D211-S214 PolarHBondContact O-N 2.82Å; D211-A215 PolarHBondContact O-N 2.8Å; D211-I228 HydrophobicContact CB-CD1 4.4Å; D211-I228 WeakPolarHBondContact OD1-CG2 3.4Å; D211-K272 IonicContact OD1-NZ 2.74Å; D211-K272 WeakPolarHBondContact OD2-CG 3.24Å; D211-K272 IonicContact OD2-NZ 2.62Å; D211-K272 PolarHBondContact OD2-NZ 3.24Å; D211-A275 VanDerWaalsContact C-CB 3.5Å; D211-A275 HydrophobicContact CB-CB 4Å; D211-A275 WeakPolarHBondContact O-CB 3.44Å |
| 212 | K | 97.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 16% | 0.161 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 173.3 | -63 | -170.6 | 175.7 | -171.7 | 0 | 112.7 | P164 D209 S214 A215 L216 E274 A275 | P164-K212 HydrophobicContact CG-CB 3.97Å; D209-K212 HydrophobicContact CB-CB 4.15Å; D209-K212 HydrophobicContact CB-CD 4.08Å; D209-K212 HydrophobicContact CB-CG 3.94Å; D209-K212 PolarHBondContact O-N 3.42Å; D209-K212 VanDerWaalsContact O-N 3.12Å; D209-K212 PolarHBondContact OD1-N 2.92Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.46Å; K212-A215 WeakPolarHBondContact O-CB 3.35Å; K212-A215 PolarHBondContact O-N 2.92Å; K212-L216 PolarHBondContact O-N 2.96Å; K212-E274 WeakPolarHBondContact CE-OE2 3.32Å; K212-E274 IonicContact NZ-OE2 2.79Å; K212-E274 PolarHBondContact NZ-OE2 3.13Å; K212-A275 HydrophobicContact CG-CB 4.18Å |
| 213 | T | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | V111 I167 A186 G189 I208 D209 L216 L217 | V111-T213 HydrophobicContact CG2-CG2 3.84Å; I167-T213 HydrophobicContact CD1-CG2 4.23Å; I167-T213 HydrophobicContact CG1-CG2 4.38Å; A186-T213 HydrophobicContact CB-CG2 3.72Å; G189-T213 WeakPolarHBondContact O-CB 3.24Å; G189-T213 WeakPolarHBondContact O-CG2 3.15Å; G189-T213 PolarHBondContact O-OG1 3.32Å; I208-T213 WeakPolarHBondContact CG2-OG1 3.06Å; D209-T213 PolarHBondContact O-N 2.87Å; D209-T213 PolarHBondContact O-OG1 3.42Å; T213-L216 PolarHBondContact O-N 2.83Å; T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 3.49Å |
| 214 | S | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | A7 S44 K210 D211 K212 L217 G218 | A7-S214 WeakPolarHBondContact CB-OG 3.41Å; S44-S214 PolarHBondContact OG-OG 2.95Å; K210-S214 WeakPolarHBondContact O-CB 3.32Å; K210-S214 PolarHBondContact O-N 3.15Å; K210-S214 PolarHBondContact O-OG 3.06Å; D211-S214 WeakPolarHBondContact O-CB 3.28Å; D211-S214 PolarHBondContact O-N 2.82Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.46Å; S214-L217 PolarHBondContact O-N 3.05Å; S214-G218 PolarHBondContact O-N 3.39Å |
| 215 | A | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | D211 K212 L217 G218 A219 L226 A275 F279 | D211-A215 PolarHBondContact O-N 2.8Å; K212-A215 WeakPolarHBondContact O-CB 3.35Å; K212-A215 PolarHBondContact O-N 2.92Å; A215-L217 PolarHBondContact O-N 2.63Å; A215-G218 PolarHBondContact O-N 2.71Å; A215-A219 WeakPolarHBondContact O-CB 3.44Å; A215-A219 PolarHBondContact O-N 3.17Å; A215-L226 HydrophobicContact CB-CD2 4.04Å; A215-A275 HydrophobicContact CB-CB 4.03Å; A215-A275 WeakPolarHBondContact CB-O 3.43Å; A215-F279 HydrophobicContact CB-CB 3.87Å |
| 216 | L | 98.6 | Very high | 97 | Very high | 33 Ų | 33 | 21 Ų | 21 | 17% | 0.173 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.2 | -178.7 | 66.2 | 0 | 0 | 0 | 111.4 | P164 I167 K212 T213 N220 | P164-L216 HydrophobicContact CB-CD2 3.86Å; P164-L216 HydrophobicContact CG-CD2 4.42Å; I167-L216 HydrophobicContact CG1-CD2 4.16Å; K212-L216 PolarHBondContact O-N 2.96Å; T213-L216 PolarHBondContact O-N 2.83Å; L216-N220 VanDerWaalsContact CD1-ND2 3.29Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.21Å; L216-N220 PolarHBondContact O-N 2.81Å; L216-N220 PolarHBondContact O-ND2 2.82Å |
| 217 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -52.5 | 177 | 177.8 | 58.5 | 0 | 0 | 0 | 111.2 | V5 V42 I167 L170 I173 T213 S214 A215 A219 N220 I221 | V5-L217 HydrophobicContact CG1-CD2 4.33Å; V5-L217 HydrophobicContact CG2-CG 4.39Å; V42-L217 HydrophobicContact CB-CD2 4.46Å; V42-L217 HydrophobicContact CG1-CD2 3.8Å; I167-L217 HydrophobicContact CD1-CB 3.53Å; I167-L217 HydrophobicContact CD1-CD1 3.82Å; I167-L217 HydrophobicContact CD1-CG 4.2Å; L170-L217 HydrophobicContact CD1-CD1 4Å; I173-L217 HydrophobicContact CD1-CD1 4.22Å; I173-L217 HydrophobicContact CG2-CD1 4.2Å; T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 3.49Å; S214-L217 PolarHBondContact O-N 3.05Å; A215-L217 PolarHBondContact O-N 2.63Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 3.39Å; L217-N220 PolarHBondContact O-N 2.79Å; L217-I221 HydrophobicContact CD1-CG2 4.03Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 3.41Å |
| 218 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -43.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S214 A215 Q222 C223 | S214-G218 PolarHBondContact O-N 3.39Å; A215-G218 PolarHBondContact O-N 2.71Å; G218-Q222 PolarHBondContact O-N 2.85Å; G218-Q222 VanDerWaalsContact O-N 3.08Å; G218-C223 WeakPolarHBondContact CA-SG 3.4Å; G218-C223 PolarHBondContact O-N 3.35Å |
| 219 | A | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A215 L217 I221 Q222 F279 N282 N283 | A215-A219 WeakPolarHBondContact O-CB 3.44Å; A215-A219 PolarHBondContact O-N 3.17Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 3.39Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.41Å; A219-Q222 PolarHBondContact O-N 2.68Å; A219-Q222 PolarHBondContact O-NE2 3.24Å; A219-F279 HydrophobicContact CB-CD2 4.34Å; A219-N282 HydrophobicContact CB-CB 3.82Å; A219-N283 HydrophobicContact CB-CB 4.34Å |
| 220 | N | 98.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 21 Ų | 21 | 36% | 0.364 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -66.3 | -30.5 | -179.1 | -88.3 | -75.8 | 0 | 0 | 0 | 114.3 | L170 K174 L216 L217 Q222 | L170-N220 HydrophobicContact CD1-CB 3.81Å; L170-N220 HydrophobicContact CD2-CB 3.68Å; L170-N220 HydrophobicContact CG-CB 4.41Å; K174-N220 WeakPolarHBondContact CE-O 3.47Å; L216-N220 VanDerWaalsContact CD1-ND2 3.29Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.21Å; L216-N220 PolarHBondContact O-N 2.81Å; L216-N220 PolarHBondContact O-ND2 2.82Å; L217-N220 PolarHBondContact O-N 2.79Å; N220-Q222 VanDerWaalsContact C-N 3.35Å |
| 221 | I | 97.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 1.1 | 174.5 | 73.8 | -179.4 | 0 | 0 | 0 | 113 | K3 V5 V42 L170 K174 I177 L217 A219 C223 | K3-I221 HydrophobicContact CD-CB 4.21Å; K3-I221 HydrophobicContact CD-CD1 3.87Å; K3-I221 HydrophobicContact CD-CG1 3.82Å; K3-I221 WeakPolarHBondContact CD-O 3.42Å; K3-I221 HydrophobicContact CG-CD1 4.29Å; K3-I221 PolarHBondContact NZ-O 2.94Å; V5-I221 HydrophobicContact CG2-CD1 3.59Å; V5-I221 HydrophobicContact CG2-CG1 4.39Å; V42-I221 HydrophobicContact CG2-CD1 3.84Å; L170-I221 HydrophobicContact CD1-CG2 3.83Å; K174-I221 HydrophobicContact CG-CG2 3.96Å; I177-I221 HydrophobicContact CD1-CD1 4.2Å; L217-I221 HydrophobicContact CD1-CG2 4.03Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 3.41Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.41Å; I221-C223 VanDerWaalsContact C-N 3.35Å; I221-C223 HydrophobicContact CD1-CB 4.24Å; I221-C223 HydrophobicContact CG1-CB 3.98Å; I221-C223 PolarHBondContact O-N 2.74Å |
| 222 | Q | 97.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 25.4 Ų | 25.4 | 53% | 0.533 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 52.7 | -176.3 | -59.5 | -75.5 | -67.4 | 0 | 0 | 111 | G218 A219 N220 | G218-Q222 PolarHBondContact O-N 2.85Å; G218-Q222 VanDerWaalsContact O-N 3.08Å; A219-Q222 PolarHBondContact O-N 2.68Å; A219-Q222 PolarHBondContact O-NE2 3.24Å; N220-Q222 VanDerWaalsContact C-N 3.35Å |
| 223 | C | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | trans | -69.9 | 147.5 | 178.5 | 78.1 | 0 | 0 | 0 | 0 | 110.9 | K3 V5 G218 I221 Q225 F279 N283 | K3-C223 HydrophobicContact CB-CB 4.29Å; K3-C223 HydrophobicContact CD-CB 4.21Å; K3-C223 HydrophobicContact CG-CB 3.99Å; K3-C223 CarbonylContact O-C 3.58Å; K3-C223 WeakPolarHBondContact O-CB 3.48Å; V5-C223 HydrophobicContact CG2-CB 4.16Å; G218-C223 WeakPolarHBondContact CA-SG 3.4Å; G218-C223 PolarHBondContact O-N 3.35Å; I221-C223 VanDerWaalsContact C-N 3.35Å; I221-C223 HydrophobicContact CD1-CB 4.24Å; I221-C223 HydrophobicContact CG1-CB 3.98Å; I221-C223 PolarHBondContact O-N 2.74Å; C223-Q225 VanDerWaalsContact C-N 3.31Å; C223-Q225 PolarHBondContact SG-O 3.44Å; C223-F279 WeakPolarHBondContact SG-CE2 3.19Å; C223-N283 PolarHBondContact O-ND2 3.25Å | ||
| 224 | D | 97.9 | Very high | 97 | Very high | 86 Ų | 86 | 28.2 Ų | 28.2 | 46% | 0.46 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -72.8 | -31.1 | 178.2 | -58.9 | -69.1 | 0 | 0 | 0 | 111.2 | A2 K3 G286 S287 | A2-D224 VanDerWaalsContact CA-OD2 3.24Å; A2-D224 WeakPolarHBondContact CA-OD2 3.21Å; A2-D224 HydrophobicContact CB-CB 4.01Å; K3-D224 PolarHBondContact N-OD2 3Å; K3-D224 PolarHBondContact O-N 3.18Å; D224-G286 CarbonylContact O-C 3.54Å; D224-G286 VanDerWaalsContact O-CA 3.32Å; D224-G286 WeakPolarHBondContact O-CA 3.44Å; D224-S287 PolarHBondContact O-N 2.95Å |
| 225 | Q | 97.8 | Very high | 97 | Very high | 40 Ų | 40 | 28.2 Ų | 28.2 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.3 | -179.9 | -164.1 | 170.1 | 44.1 | 0 | 0 | 112.2 | K3 I4 V5 C223 I227 S287 | K3-Q225 PolarHBondContact O-N 3.3Å; I4-Q225 VanDerWaalsContact CA-O 3.32Å; I4-Q225 WeakPolarHBondContact CA-O 3.13Å; I4-Q225 HydrophobicContact CG1-CB 4.44Å; V5-Q225 PolarHBondContact N-O 2.82Å; C223-Q225 VanDerWaalsContact C-N 3.31Å; C223-Q225 PolarHBondContact SG-O 3.44Å; Q225-I227 HydrophobicContact CG-CG1 4.04Å; Q225-S287 CarbonylContact C-O 3.6Å; Q225-S287 VanDerWaalsContact CA-O 3.29Å; Q225-S287 WeakPolarHBondContact CA-O 3.29Å |
| 226 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124 | 162.9 | 171.3 | 65.6 | 0 | 0 | 0 | 108.1 | V5 A215 I228 F279 S287 V288 L289 | V5-L226 HydrophobicContact CB-CD1 3.93Å; V5-L226 HydrophobicContact CG1-CD1 3.83Å; V5-L226 CarbonylContact O-C 3.57Å; A215-L226 HydrophobicContact CB-CD2 4.04Å; L226-I228 HydrophobicContact CD2-CD1 4.23Å; L226-I228 HydrophobicContact CD2-CG1 4.3Å; L226-I228 HydrophobicContact CG-CG1 4.14Å; L226-F279 HydrophobicContact CB-CD1 4.28Å; L226-F279 HydrophobicContact CB-CD2 4.17Å; L226-F279 HydrophobicContact CB-CE1 4.21Å; L226-F279 HydrophobicContact CB-CE2 4.12Å; L226-F279 HydrophobicContact CB-CG 4.24Å; L226-F279 HydrophobicContact CB-CZ 4.12Å; L226-F279 HydrophobicContact CD2-CB 3.99Å; L226-F279 HydrophobicContact CD2-CD2 4.22Å; L226-F279 HydrophobicContact CD2-CG 4Å; L226-S287 PolarHBondContact N-O 3.5Å; L226-V288 HydrophobicContact CB-CG1 4.36Å; L226-V288 HydrophobicContact CB-CG2 4.26Å; L226-V288 HydrophobicContact CD2-CG1 4.18Å; L226-V288 HydrophobicContact CD2-CG2 4.26Å; L226-V288 HydrophobicContact CG-CG1 4.22Å; L226-V288 CarbonylContact O-C 3.23Å; L226-V288 VanDerWaalsContact O-CA 3.24Å; L226-V288 WeakPolarHBondContact O-CA 3.14Å; L226-V288 WeakPolarHBondContact O-CG1 3.43Å; L226-L289 PolarHBondContact O-N 3.1Å |
| 227 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.6 | 176.1 | -55.8 | -178.2 | 0 | 0 | 0 | 108.3 | I4 V5 V6 A7 L34 Q225 L229 L289 L296 L300 | I4-I227 HydrophobicContact CG2-CD1 3.61Å; I4-I227 HydrophobicContact CG2-CG1 3.81Å; V5-I227 PolarHBondContact O-N 3.22Å; V6-I227 CarbonylContact C-O 3.49Å; V6-I227 WeakPolarHBondContact CA-O 3.45Å; V6-I227 HydrophobicContact CG1-CB 4.45Å; V6-I227 HydrophobicContact CG1-CG2 4.5Å; V6-I227 HydrophobicContact CG2-CB 4.33Å; V6-I227 HydrophobicContact CG2-CD1 4.41Å; A7-I227 PolarHBondContact N-O 2.96Å; L34-I227 HydrophobicContact CD1-CD1 4.45Å; Q225-I227 HydrophobicContact CG-CG1 4.04Å; I227-L229 HydrophobicContact CG2-CD2 3.62Å; I227-L229 HydrophobicContact CG2-CG 4.07Å; I227-L289 CarbonylContact C-O 3.58Å; I227-L289 WeakPolarHBondContact CA-O 3.32Å; I227-L289 HydrophobicContact CD1-CD2 4.36Å; I227-L289 HydrophobicContact CG1-CB 4.26Å; I227-L289 HydrophobicContact CG1-CD2 4.32Å; I227-L289 HydrophobicContact CG2-CD2 4.24Å; I227-L289 HydrophobicContact CG2-CG 4.45Å; I227-L296 HydrophobicContact CD1-CD1 4.32Å; I227-L296 HydrophobicContact CG2-CD1 4.2Å; I227-L300 HydrophobicContact CD1-CD2 3.79Å |
| 228 | I | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.4 | 174.4 | -57.6 | 175.3 | 0 | 0 | 0 | 108.3 | A7 D211 L226 K272 V288 L289 I290 T291 | A7-I228 HydrophobicContact CB-CG1 4.47Å; D211-I228 HydrophobicContact CB-CD1 4.4Å; D211-I228 WeakPolarHBondContact OD1-CG2 3.4Å; L226-I228 HydrophobicContact CD2-CD1 4.23Å; L226-I228 HydrophobicContact CD2-CG1 4.3Å; L226-I228 HydrophobicContact CG-CG1 4.14Å; I228-K272 HydrophobicContact CD1-CB 4.47Å; I228-K272 HydrophobicContact CG2-CD 3.96Å; I228-K272 HydrophobicContact CG2-CG 4.16Å; I228-V288 HydrophobicContact CD1-CG1 4.15Å; I228-V288 HydrophobicContact CG1-CG1 4.37Å; I228-L289 PolarHBondContact N-O 3Å; I228-I290 HydrophobicContact CB-CG1 4.26Å; I228-I290 HydrophobicContact CD1-CG1 4.46Å; I228-I290 WeakPolarHBondContact O-CA 3.48Å; I228-T291 PolarHBondContact O-N 2.88Å |
| 229 | L | 95.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.7 | 177.8 | -60 | -176 | 0 | 0 | 0 | 110.8 | V6 A7 L8 G9 I227 T291 L293 L296 | V6-L229 HydrophobicContact CG1-CD1 3.85Å; V6-L229 HydrophobicContact CG1-CG 4.14Å; A7-L229 PolarHBondContact O-N 3.2Å; L8-L229 HydrophobicContact CD2-CD1 3.83Å; G9-L229 VanDerWaalsContact CA-O 3.23Å; G9-L229 WeakPolarHBondContact CA-O 3.25Å; G9-L229 PolarHBondContact N-O 2.84Å; G9-L229 VanDerWaalsContact N-O 3.13Å; I227-L229 HydrophobicContact CG2-CD2 3.62Å; I227-L229 HydrophobicContact CG2-CG 4.07Å; L229-T291 WeakPolarHBondContact CA-O 3.37Å; L229-T291 HydrophobicContact CD2-CG2 3.94Å; L229-L293 HydrophobicContact CD1-CB 4.42Å; L229-L293 HydrophobicContact CD1-CD1 3.62Å; L229-L296 HydrophobicContact CD1-CD2 4.22Å; L229-L296 HydrophobicContact CD2-CD1 4.2Å |
| 230 | T | 92.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | -169.3 | -177 | -170.3 | 0 | 0 | 0 | 0 | 111 | N11 I232 I290 T291 S292 | N11-T230 PolarHBondContact ND2-O 3.27Å; T230-I232 HydrophobicContact CG2-CG1 3.83Å; T230-I290 HydrophobicContact CG2-CG2 4.02Å; T230-T291 PolarHBondContact N-O 2.98Å; T230-S292 VanDerWaalsContact O-CA 3.32Å; T230-S292 WeakPolarHBondContact O-CA 3.36Å |
| 231 | A | 90.7 | Very high | 96.2 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -89.7 | 2.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 232 | I | 93.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -132.6 | 151.7 | -176.2 | 64 | 175.8 | 0 | 0 | 0 | 110.7 | T230 Y234 Y236 M269 T291 S292 | T230-I232 HydrophobicContact CG2-CG1 3.83Å; I232-Y234 WeakPolarHBondContact CD1-O 3.33Å; I232-Y234 VanDerWaalsContact CG1-O 3.29Å; I232-Y234 WeakPolarHBondContact CG1-O 3.47Å; I232-Y236 HydrophobicContact CB-CE2 4.38Å; I232-Y236 HydrophobicContact CD1-CD2 4.1Å; I232-Y236 HydrophobicContact CD1-CE2 4.22Å; I232-M269 HydrophobicContact CD1-CE 3.36Å; I232-M269 HydrophobicContact CG1-CE 4.12Å; I232-T291 CarbonylContact O-C 3.56Å; I232-S292 PolarHBondContact O-N 3.41Å; I232-S292 VanDerWaalsContact O-N 3.08Å |
| 233 | D | 95.8 | Very high | 96 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -81.4 | -29.1 | -171.2 | -55.7 | -26.7 | 0 | 0 | 0 | 113.1 | T291 S292 E295 V304 G305 | D233-T291 PolarHBondContact O-OG1 3.17Å; D233-S292 VanDerWaalsContact OD1-CB 3.22Å; D233-S292 WeakPolarHBondContact OD1-CB 3.49Å; D233-S292 PolarHBondContact OD1-OG 2.72Å; D233-E295 HydrophobicContact CB-CG 4.35Å; D233-E295 WeakPolarHBondContact OD1-CG 3.29Å; D233-V304 HydrophobicContact CB-CG1 3.88Å; D233-G305 WeakPolarHBondContact O-CA 3.45Å; D233-G305 PolarHBondContact O-N 3.12Å |
| 234 | Y | 97.9 | Very high | 96 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -133.9 | 158 | 175.2 | -60.8 | -91.6 | 0 | 0 | 0 | 110.2 | I232 Y236 P246 K248 K303 V304 G305 | I232-Y234 WeakPolarHBondContact CD1-O 3.33Å; I232-Y234 VanDerWaalsContact CG1-O 3.29Å; I232-Y234 WeakPolarHBondContact CG1-O 3.47Å; Y234-Y236 WeakPolarHBondContact O-CD2 3.48Å; Y234-Y236 WeakPolarHBondContact O-CE2 3.38Å; Y234-P246 HydrophobicContact CD1-CB 4.23Å; Y234-P246 HydrophobicContact CD2-CB 4.18Å; Y234-P246 HydrophobicContact CG-CB 3.81Å; Y234-K248 HydrophobicContact CD1-CG 4.43Å; Y234-K248 HydrophobicContact CE1-CG 4.03Å; Y234-K303 PolarHBondContact OH-O 3.04Å; Y234-V304 HydrophobicContact CE2-CG1 3.93Å; Y234-V304 WeakPolarHBondContact OH-CA 3.23Å; Y234-G305 VanDerWaalsContact CD1-C 3.43Å; Y234-G305 VanDerWaalsContact CD1-O 3.25Å; Y234-G305 WeakPolarHBondContact CD1-O 3.49Å; Y234-G305 VanDerWaalsContact CE1-N 3.28Å; Y234-G305 WeakPolarHBondContact CE1-O 3.34Å |
| 235 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.8 | 155.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | L247 F264 M269 I273 I290 T306 | V235-L247 HydrophobicContact CB-CB 4.49Å; V235-L247 HydrophobicContact CG1-CD1 4.02Å; V235-L247 PolarHBondContact O-N 3.11Å; V235-F264 HydrophobicContact CG1-CD1 4.12Å; V235-F264 HydrophobicContact CG1-CE1 3.52Å; V235-F264 HydrophobicContact CG1-CZ 4.29Å; V235-M269 HydrophobicContact CG1-CG 4.33Å; V235-M269 HydrophobicContact CG1-SD 4.28Å; V235-M269 HydrophobicContact CG2-SD 3.93Å; V235-I273 HydrophobicContact CG1-CD1 3.9Å; V235-I273 HydrophobicContact CG2-CD1 3.93Å; V235-I290 HydrophobicContact CG2-CB 3.97Å; V235-I290 HydrophobicContact CG2-CD1 3.9Å; V235-I290 HydrophobicContact CG2-CG1 4.47Å; V235-I290 HydrophobicContact CG2-CG2 3.89Å; V235-T306 HydrophobicContact CB-CG2 4.11Å; V235-T306 WeakPolarHBondContact CB-OG1 3.49Å; V235-T306 HydrophobicContact CG2-CG2 4.03Å; V235-T306 PolarHBondContact N-OG1 3.06Å |
| 236 | Y | 98.1 | Very high | 96 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.3 | 179.3 | -59.8 | -92.3 | 0 | 0 | 0 | 111 | I232 Y234 F239 Q244 Q245 P246 | I232-Y236 HydrophobicContact CB-CE2 4.38Å; I232-Y236 HydrophobicContact CD1-CD2 4.1Å; I232-Y236 HydrophobicContact CD1-CE2 4.22Å; Y234-Y236 WeakPolarHBondContact O-CD2 3.48Å; Y234-Y236 WeakPolarHBondContact O-CE2 3.38Å; Y236-F239 AromaticContact CD2-CD2 3.89Å; Y236-F239 HydrophobicContact CD2-CD2 3.89Å; Y236-F239 AromaticContact CD2-CE2 3.98Å; Y236-F239 HydrophobicContact CD2-CE2 3.98Å; Y236-F239 HydrophobicContact CG-CD2 4.09Å; Y236-Q244 HydrophobicContact CD1-CG 3.6Å; Y236-Q244 HydrophobicContact CE1-CG 4.4Å; Y236-Q244 HydrophobicContact CG-CG 3.95Å; Y236-Q245 CarbonylContact C-O 3.59Å; Y236-Q245 VanDerWaalsContact CA-O 3.26Å; Y236-Q245 WeakPolarHBondContact CA-O 3.27Å; Y236-P246 HydrophobicContact CD1-CB 3.85Å; Y236-P246 HydrophobicContact CE1-CB 3.65Å; Y236-P246 HydrophobicContact CE1-CG 4.36Å |
| 237 | I | 97.9 | Very high | 96 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 156.2 | 158 | 59.1 | 172.8 | 0 | 0 | 0 | 109.1 | F239 Q244 Q245 L247 Y258 Q263 | I237-F239 PolarHBondContact O-N 3.2Å; I237-Q244 WeakPolarHBondContact O-CA 3.26Å; I237-Q245 HydrophobicContact CD1-CB 4.27Å; I237-Q245 HydrophobicContact CG1-CB 3.83Å; I237-Q245 HydrophobicContact CG1-CG 4.46Å; I237-Q245 PolarHBondContact N-O 3.37Å; I237-Q245 PolarHBondContact O-N 2.87Å; I237-L247 HydrophobicContact CD1-CD2 4.46Å; I237-L247 HydrophobicContact CG1-CD2 4.37Å; I237-L247 HydrophobicContact CG2-CD1 4.07Å; I237-L247 HydrophobicContact CG2-CD2 3.94Å; I237-L247 HydrophobicContact CG2-CG 4.16Å; I237-Y258 HydrophobicContact CD1-CE1 4.17Å; I237-Y258 HydrophobicContact CG2-CD1 3.85Å; I237-Y258 HydrophobicContact CG2-CD2 3.98Å; I237-Y258 HydrophobicContact CG2-CE1 3.92Å; I237-Y258 HydrophobicContact CG2-CE2 4.05Å; I237-Y258 HydrophobicContact CG2-CG 3.89Å; I237-Q263 HydrophobicContact CG2-CB 4.31Å; I237-Q263 HydrophobicContact CG2-CG 4.31Å |
| 238 | N | 96.9 | Very high | 96 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 52 | 41.1 | -173.1 | -48 | -48.3 | 0 | 0 | 0 | 111.9 | T241 N243 Q244 Q263 | N238-T241 VanDerWaalsContact CB-OG1 3.29Å; N238-T241 WeakPolarHBondContact CB-OG1 3.26Å; N238-T241 WeakPolarHBondContact O-CB 3.36Å; N238-T241 WeakPolarHBondContact O-CG2 3.4Å; N238-T241 PolarHBondContact O-N 3.04Å; N238-T241 VanDerWaalsContact O-N 3.15Å; N238-T241 PolarHBondContact O-OG1 2.88Å; N238-N243 HydrophobicContact CB-CB 4.5Å; N238-N243 WeakPolarHBondContact CB-O 3.35Å; N238-N243 PolarHBondContact ND2-O 3.1Å; N238-N243 VanDerWaalsContact ND2-O 3.16Å; N238-Q244 WeakPolarHBondContact O-CA 3.39Å; N238-Q244 WeakPolarHBondContact O-CB 3.36Å; N238-Q263 PolarHBondContact OD1-OE1 3.02Å |
| 239 | F | 95 | Very high | 95.9 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137.7 | -174.3 | -174 | -112.9 | 0 | 0 | 0 | 111.7 | Y236 I237 T241 | Y236-F239 AromaticContact CD2-CD2 3.89Å; Y236-F239 HydrophobicContact CD2-CD2 3.89Å; Y236-F239 AromaticContact CD2-CE2 3.98Å; Y236-F239 HydrophobicContact CD2-CE2 3.98Å; Y236-F239 HydrophobicContact CG-CD2 4.09Å; I237-F239 PolarHBondContact O-N 3.2Å; F239-T241 PolarHBondContact O-N 3.44Å |
| 240 | N | 91.2 | Very high | 96.1 | Very high | 133 Ų | 133 | 68.5 Ų | 68.5 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28.9 | -174.2 | -68 | -22.9 | 0 | 0 | 0 | 115 | ||
| 241 | T | 95.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -120 | 169.1 | 171.3 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | N238 F239 N243 Q244 | N238-T241 VanDerWaalsContact CB-OG1 3.29Å; N238-T241 WeakPolarHBondContact CB-OG1 3.26Å; N238-T241 WeakPolarHBondContact O-CB 3.36Å; N238-T241 WeakPolarHBondContact O-CG2 3.4Å; N238-T241 PolarHBondContact O-N 3.04Å; N238-T241 VanDerWaalsContact O-N 3.15Å; N238-T241 PolarHBondContact O-OG1 2.88Å; F239-T241 PolarHBondContact O-N 3.44Å; T241-N243 PolarHBondContact O-N 2.71Å; T241-N243 PolarHBondContact OG1-N 3.09Å; T241-Q244 WeakPolarHBondContact O-CB 3.44Å; T241-Q244 PolarHBondContact O-N 2.99Å; T241-Q244 VanDerWaalsContact O-N 3.17Å |
| 242 | E | 96.4 | Very high | 96.7 | Very high | 195 Ų | 195 | 66.8 Ų | 66.8 | 91% | 0.911 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.2 | 175.4 | -61.9 | -175.3 | 168.9 | 0 | 0 | 113.1 | ||
| 243 | N | 95.7 | Very high | 96.9 | Very high | 122 Ų | 122 | 70.5 Ų | 70.5 | 65% | 0.652 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 22.6 | -179.9 | -62 | -48.8 | 0 | 0 | 0 | 112.4 | N238 T241 Q245 | N238-N243 HydrophobicContact CB-CB 4.5Å; N238-N243 WeakPolarHBondContact CB-O 3.35Å; N238-N243 PolarHBondContact ND2-O 3.1Å; N238-N243 VanDerWaalsContact ND2-O 3.16Å; T241-N243 PolarHBondContact O-N 2.71Å; T241-N243 PolarHBondContact OG1-N 3.09Å; N243-Q245 PolarHBondContact O-N 3.18Å |
| 244 | Q | 97.7 | Very high | 97 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | trans | -57.2 | 124.8 | 177.5 | 179.5 | 174.4 | -80.1 | 0 | 0 | 110.6 | Y236 I237 N238 T241 | Y236-Q244 HydrophobicContact CD1-CG 3.6Å; Y236-Q244 HydrophobicContact CE1-CG 4.4Å; Y236-Q244 HydrophobicContact CG-CG 3.95Å; I237-Q244 WeakPolarHBondContact O-CA 3.26Å; N238-Q244 WeakPolarHBondContact O-CA 3.39Å; N238-Q244 WeakPolarHBondContact O-CB 3.36Å; T241-Q244 WeakPolarHBondContact O-CB 3.44Å; T241-Q244 PolarHBondContact O-N 2.99Å; T241-Q244 VanDerWaalsContact O-N 3.17Å | ||
| 245 | Q | 97.7 | Very high | 97.1 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.3 | -178 | 178.3 | -176.2 | -26.8 | 0 | 0 | 110.7 | Y236 I237 N243 | Y236-Q245 CarbonylContact C-O 3.59Å; Y236-Q245 VanDerWaalsContact CA-O 3.26Å; Y236-Q245 WeakPolarHBondContact CA-O 3.27Å; I237-Q245 HydrophobicContact CD1-CB 4.27Å; I237-Q245 HydrophobicContact CG1-CB 3.83Å; I237-Q245 HydrophobicContact CG1-CG 4.46Å; I237-Q245 PolarHBondContact N-O 3.37Å; I237-Q245 PolarHBondContact O-N 2.87Å; N243-Q245 PolarHBondContact O-N 3.18Å |
| 246 | P | 97.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 72.8 Ų | 72.8 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136 | 174.6 | 28.7 | -32.2 | 0 | 0 | 0 | 111 | Y234 Y236 | Y234-P246 HydrophobicContact CD1-CB 4.23Å; Y234-P246 HydrophobicContact CD2-CB 4.18Å; Y234-P246 HydrophobicContact CG-CB 3.81Å; Y236-P246 HydrophobicContact CD1-CB 3.85Å; Y236-P246 HydrophobicContact CE1-CB 3.65Å; Y236-P246 HydrophobicContact CE1-CG 4.36Å |
| 247 | L | 97.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 76.2 Ų | 76.2 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 108.7 | 165.4 | -59.1 | -175.8 | 0 | 0 | 0 | 108.2 | V235 I237 L255 Y258 F264 T306 | V235-L247 HydrophobicContact CB-CB 4.49Å; V235-L247 HydrophobicContact CG1-CD1 4.02Å; V235-L247 PolarHBondContact O-N 3.11Å; I237-L247 HydrophobicContact CD1-CD2 4.46Å; I237-L247 HydrophobicContact CG1-CD2 4.37Å; I237-L247 HydrophobicContact CG2-CD1 4.07Å; I237-L247 HydrophobicContact CG2-CD2 3.94Å; I237-L247 HydrophobicContact CG2-CG 4.16Å; L247-L255 HydrophobicContact CD1-CD2 4.14Å; L247-Y258 HydrophobicContact CD1-CD2 4.14Å; L247-Y258 HydrophobicContact CD1-CE2 4.22Å; L247-Y258 HydrophobicContact CD2-CE2 3.94Å; L247-F264 HydrophobicContact CD1-CE1 4.41Å; L247-F264 HydrophobicContact CD1-CZ 4.25Å; L247-T306 HydrophobicContact CB-CG2 4.04Å; L247-T306 WeakPolarHBondContact O-CA 3.37Å; L247-T306 VanDerWaalsContact O-CB 3.28Å; L247-T306 WeakPolarHBondContact O-CB 3.43Å; L247-T306 WeakPolarHBondContact O-CG2 3.4Å; L247-T306 PolarHBondContact O-OG1 2.97Å |
| 248 | K | 97.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -83.4 | -58.5 | 177.9 | -63.8 | -172.6 | 179.7 | -175 | 0 | 111.5 | Y234 T306 V307 | Y234-K248 HydrophobicContact CD1-CG 4.43Å; Y234-K248 HydrophobicContact CE1-CG 4.03Å; K248-T306 CarbonylContact O-C 3.54Å; K248-T306 WeakPolarHBondContact O-CA 3.45Å; K248-V307 PolarHBondContact O-N 2.67Å |
| 249 | T | 97.4 | Very high | 97.2 | Very high | 101 Ų | 101 | 76.3 Ų | 76.3 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.5 | 173.2 | -54.6 | 0 | 0 | 0 | 0 | 107.7 | V307 | T249-V307 VanDerWaalsContact CA-O 3.32Å; T249-V307 WeakPolarHBondContact CA-O 2.95Å |
| 250 | T | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 78 Ų | 78 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 176.8 | 178.9 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | E254 L255 T306 V307 I308 K309 | T250-E254 WeakPolarHBondContact CA-OE2 3.42Å; T250-E254 WeakPolarHBondContact CB-OE2 3.14Å; T250-E254 WeakPolarHBondContact OG1-CB 3.33Å; T250-E254 PolarHBondContact OG1-OE2 3.22Å; T250-L255 HydrophobicContact CG2-CD1 4.08Å; T250-L255 HydrophobicContact CG2-CD2 3.81Å; T250-L255 HydrophobicContact CG2-CG 3.86Å; T250-T306 HydrophobicContact CG2-CG2 4.18Å; T250-V307 PolarHBondContact N-O 3.11Å; T250-I308 HydrophobicContact CG2-CG1 3.96Å; T250-K309 PolarHBondContact O-N 2.74Å |
| 251 | N | 98.2 | Very high | 97.6 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 174.5 | -179.6 | 63 | 51 | 0 | 0 | 0 | 111.9 | D253 E254 L255 K309 | N251-D253 VanDerWaalsContact C-N 3.32Å; N251-D253 PolarHBondContact O-N 2.93Å; N251-D253 PolarHBondContact OD1-N 3.46Å; N251-D253 VanDerWaalsContact OD1-N 3.1Å; N251-E254 PolarHBondContact O-N 2.91Å; N251-E254 PolarHBondContact OD1-N 2.92Å; N251-L255 WeakPolarHBondContact O-CG 3.27Å; N251-L255 PolarHBondContact O-N 2.96Å; N251-L255 VanDerWaalsContact O-N 3.11Å; N251-K309 VanDerWaalsContact CA-O 3.32Å; N251-K309 WeakPolarHBondContact CA-O 3.23Å |
| 252 | V | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 78.6 Ų | 78.6 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | -177.1 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | L255 K256 I277 I280 | V252-L255 PolarHBondContact O-N 3.46Å; V252-K256 HydrophobicContact CG1-CD 4.03Å; V252-K256 HydrophobicContact CG1-CG 4.42Å; V252-K256 WeakPolarHBondContact O-CG 3.34Å; V252-K256 PolarHBondContact O-N 2.78Å; V252-I277 HydrophobicContact CG1-CG1 4.42Å; V252-I277 HydrophobicContact CG1-CG2 3.91Å; V252-I280 HydrophobicContact CG2-CB 3.82Å; V252-I280 HydrophobicContact CG2-CG1 4.49Å; V252-I280 HydrophobicContact CG2-CG2 3.51Å |
| 253 | D | 98.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | -176.7 | -67.4 | -23.4 | 0 | 0 | 0 | 111.8 | N251 K256 R257 | N251-D253 VanDerWaalsContact C-N 3.32Å; N251-D253 PolarHBondContact O-N 2.93Å; N251-D253 PolarHBondContact OD1-N 3.46Å; N251-D253 VanDerWaalsContact OD1-N 3.1Å; D253-K256 PolarHBondContact O-N 2.91Å; D253-R257 PolarHBondContact O-N 2.97Å; D253-R257 VanDerWaalsContact O-N 3.08Å |
| 254 | E | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 174.6 | -73.1 | -173.4 | 137.5 | 0 | 0 | 112 | T250 N251 K256 R257 Y258 | T250-E254 WeakPolarHBondContact CA-OE2 3.42Å; T250-E254 WeakPolarHBondContact CB-OE2 3.14Å; T250-E254 WeakPolarHBondContact OG1-CB 3.33Å; T250-E254 PolarHBondContact OG1-OE2 3.22Å; N251-E254 PolarHBondContact O-N 2.91Å; N251-E254 PolarHBondContact OD1-N 2.92Å; E254-K256 VanDerWaalsContact C-N 3.34Å; E254-K256 PolarHBondContact O-N 3.4Å; E254-R257 WeakPolarHBondContact O-CB 3.44Å; E254-R257 PolarHBondContact O-N 3.1Å; E254-Y258 HydrophobicContact CB-CE2 4.26Å; E254-Y258 WeakPolarHBondContact O-CD2 3.34Å; E254-Y258 PolarHBondContact O-N 3.15Å |
| 255 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.5 | -70.7 | 174.9 | 0 | 0 | 0 | 111.8 | L247 T250 N251 V252 Y258 I259 F264 I273 I277 I308 | L247-L255 HydrophobicContact CD1-CD2 4.14Å; T250-L255 HydrophobicContact CG2-CD1 4.08Å; T250-L255 HydrophobicContact CG2-CD2 3.81Å; T250-L255 HydrophobicContact CG2-CG 3.86Å; N251-L255 WeakPolarHBondContact O-CG 3.27Å; N251-L255 PolarHBondContact O-N 2.96Å; N251-L255 VanDerWaalsContact O-N 3.11Å; V252-L255 PolarHBondContact O-N 3.46Å; L255-Y258 PolarHBondContact O-N 2.91Å; L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.36Å; L255-I259 PolarHBondContact O-N 3.15Å; L255-F264 HydrophobicContact CD2-CE2 4.23Å; L255-F264 HydrophobicContact CD2-CZ 3.91Å; L255-I273 HydrophobicContact CB-CG2 3.97Å; L255-I273 HydrophobicContact CD1-CG2 4.15Å; L255-I273 HydrophobicContact CD2-CD1 4.28Å; L255-I273 HydrophobicContact CD2-CG2 4Å; L255-I273 HydrophobicContact CG-CG2 4.27Å; L255-I277 HydrophobicContact CB-CD1 3.97Å; L255-I277 HydrophobicContact CB-CG1 4.23Å; L255-I277 HydrophobicContact CD1-CG1 4.3Å; L255-I308 HydrophobicContact CD1-CB 4.34Å; L255-I308 HydrophobicContact CD1-CD1 3.69Å; L255-I308 HydrophobicContact CD1-CG1 3.93Å; L255-I308 HydrophobicContact CD1-CG2 3.48Å; L255-I308 VanDerWaalsContact CD1-CG2 3.48Å |
| 256 | K | 98.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 68.2 Ų | 68.2 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 173.9 | -75.9 | 176.3 | 178 | 175.4 | 0 | 111.4 | V252 D253 E254 Y258 I259 D260 I277 E281 | V252-K256 HydrophobicContact CG1-CD 4.03Å; V252-K256 HydrophobicContact CG1-CG 4.42Å; V252-K256 WeakPolarHBondContact O-CG 3.34Å; V252-K256 PolarHBondContact O-N 2.78Å; D253-K256 PolarHBondContact O-N 2.91Å; E254-K256 VanDerWaalsContact C-N 3.34Å; E254-K256 PolarHBondContact O-N 3.4Å; K256-Y258 VanDerWaalsContact C-N 3.33Å; K256-Y258 PolarHBondContact O-N 3.35Å; K256-I259 WeakPolarHBondContact O-CB 3.35Å; K256-I259 PolarHBondContact O-N 2.67Å; K256-I259 VanDerWaalsContact O-N 3.16Å; K256-D260 PolarHBondContact O-N 3.15Å; K256-I277 HydrophobicContact CG-CD1 4.11Å; K256-E281 WeakPolarHBondContact CE-OE1 3.42Å; K256-E281 IonicContact NZ-OE1 3.88Å; K256-E281 PolarHBondContact NZ-OE1 3.45Å |
| 257 | R | 98.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 69.5 Ų | 69.5 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 174 | -177 | -175.9 | 64.6 | -153.7 | -6.6 | 111.7 | D253 E254 I259 D260 E261 | D253-R257 PolarHBondContact O-N 2.97Å; D253-R257 VanDerWaalsContact O-N 3.08Å; E254-R257 WeakPolarHBondContact O-CB 3.44Å; E254-R257 PolarHBondContact O-N 3.1Å; R257-I259 VanDerWaalsContact C-N 3.31Å; R257-I259 PolarHBondContact O-N 3.38Å; R257-D260 WeakPolarHBondContact O-CB 3.39Å; R257-D260 PolarHBondContact O-N 2.82Å; R257-E261 WeakPolarHBondContact CG-OE1 3.24Å; R257-E261 IonicContact NE-OE1 3.6Å; R257-E261 WeakPolarHBondContact O-CG 3.38Å; R257-E261 PolarHBondContact O-N 2.67Å |
| 258 | Y | 98.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 72.3 Ų | 72.3 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.5 | -28.8 | 178.8 | -68.4 | -43.9 | 0 | 0 | 0 | 113.7 | I237 L247 E254 L255 K256 E261 N262 Q263 F264 | I237-Y258 HydrophobicContact CD1-CE1 4.17Å; I237-Y258 HydrophobicContact CG2-CD1 3.85Å; I237-Y258 HydrophobicContact CG2-CD2 3.98Å; I237-Y258 HydrophobicContact CG2-CE1 3.92Å; I237-Y258 HydrophobicContact CG2-CE2 4.05Å; I237-Y258 HydrophobicContact CG2-CG 3.89Å; L247-Y258 HydrophobicContact CD1-CD2 4.14Å; L247-Y258 HydrophobicContact CD1-CE2 4.22Å; L247-Y258 HydrophobicContact CD2-CE2 3.94Å; E254-Y258 HydrophobicContact CB-CE2 4.26Å; E254-Y258 WeakPolarHBondContact O-CD2 3.34Å; E254-Y258 PolarHBondContact O-N 3.15Å; L255-Y258 PolarHBondContact O-N 2.91Å; K256-Y258 VanDerWaalsContact C-N 3.33Å; K256-Y258 PolarHBondContact O-N 3.35Å; Y258-E261 WeakPolarHBondContact CD1-OE2 3.16Å; Y258-E261 PolarHBondContact O-N 2.82Å; Y258-N262 PolarHBondContact O-N 3.33Å; Y258-Q263 HydrophobicContact CD1-CG 4.04Å; Y258-Q263 HydrophobicContact CG-CG 4.43Å; Y258-Q263 VanDerWaalsContact O-CB 3.31Å; Y258-Q263 WeakPolarHBondContact O-CB 3.29Å; Y258-Q263 WeakPolarHBondContact O-CG 3.36Å; Y258-Q263 PolarHBondContact O-N 3.27Å; Y258-F264 HydrophobicContact CD2-CZ 4.41Å; Y258-F264 HydrophobicContact CG-CZ 4.39Å |
| 259 | I | 98 | Very high | 95.3 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 169.6 | -70.4 | 166.6 | 0 | 0 | 0 | 110.1 | L255 K256 R257 E261 N262 F264 L270 I273 I277 | L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.36Å; L255-I259 PolarHBondContact O-N 3.15Å; K256-I259 WeakPolarHBondContact O-CB 3.35Å; K256-I259 PolarHBondContact O-N 2.67Å; K256-I259 VanDerWaalsContact O-N 3.16Å; R257-I259 VanDerWaalsContact C-N 3.31Å; R257-I259 PolarHBondContact O-N 3.38Å; I259-E261 PolarHBondContact O-N 3.35Å; I259-N262 WeakPolarHBondContact O-CA 3.44Å; I259-N262 PolarHBondContact O-N 2.71Å; I259-F264 HydrophobicContact CG1-CD2 3.72Å; I259-F264 HydrophobicContact CG1-CE2 3.99Å; I259-L270 HydrophobicContact CD1-CD1 4.13Å; I259-L270 HydrophobicContact CG1-CD1 3.77Å; I259-L270 HydrophobicContact CG2-CD1 4.07Å; I259-I273 HydrophobicContact CD1-CG2 3.92Å; I259-I273 HydrophobicContact CG1-CG2 4.28Å; I259-I277 HydrophobicContact CD1-CD1 3.56Å |
| 260 | D | 97.9 | Very high | 95.1 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.5 | -33.1 | 178.3 | -65.5 | -24.4 | 0 | 0 | 0 | 111.8 | K256 R257 N262 | K256-D260 PolarHBondContact O-N 3.15Å; R257-D260 WeakPolarHBondContact O-CB 3.39Å; R257-D260 PolarHBondContact O-N 2.82Å; D260-N262 PolarHBondContact O-N 3.17Å; D260-N262 PolarHBondContact O-ND2 3.16Å |
| 261 | E | 97.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.4 | 173 | -68.1 | 172.7 | -164.9 | 0 | 0 | 114 | R257 Y258 I259 Q263 | R257-E261 WeakPolarHBondContact CG-OE1 3.24Å; R257-E261 IonicContact NE-OE1 3.6Å; R257-E261 WeakPolarHBondContact O-CG 3.38Å; R257-E261 PolarHBondContact O-N 2.67Å; Y258-E261 WeakPolarHBondContact CD1-OE2 3.16Å; Y258-E261 PolarHBondContact O-N 2.82Å; I259-E261 PolarHBondContact O-N 3.35Å; E261-Q263 VanDerWaalsContact C-N 3.29Å; E261-Q263 HydrophobicContact CB-CG 3.9Å; E261-Q263 PolarHBondContact O-N 3.29Å |
| 262 | N | 96.6 | Very high | 94.8 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 68% | 0.679 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33.3 | -178.3 | -61.4 | -85.1 | 0 | 0 | 0 | 114.6 | Y258 I259 D260 F264 | Y258-N262 PolarHBondContact O-N 3.33Å; I259-N262 WeakPolarHBondContact O-CA 3.44Å; I259-N262 PolarHBondContact O-N 2.71Å; D260-N262 PolarHBondContact O-N 3.17Å; D260-N262 PolarHBondContact O-ND2 3.16Å; N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 PolarHBondContact O-N 3.24Å |
| 263 | Q | 97.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 62 Ų | 62 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | trans | -72.9 | -18 | -177.4 | -64.7 | -66.9 | -30 | 0 | 0 | 113.8 | I237 N238 Y258 E261 | I237-Q263 HydrophobicContact CG2-CB 4.31Å; I237-Q263 HydrophobicContact CG2-CG 4.31Å; N238-Q263 PolarHBondContact OD1-OE1 3.02Å; Y258-Q263 HydrophobicContact CD1-CG 4.04Å; Y258-Q263 HydrophobicContact CG-CG 4.43Å; Y258-Q263 VanDerWaalsContact O-CB 3.31Å; Y258-Q263 WeakPolarHBondContact O-CB 3.29Å; Y258-Q263 WeakPolarHBondContact O-CG 3.36Å; Y258-Q263 PolarHBondContact O-N 3.27Å; E261-Q263 VanDerWaalsContact C-N 3.29Å; E261-Q263 HydrophobicContact CB-CG 3.9Å; E261-Q263 PolarHBondContact O-N 3.29Å | ||
| 264 | F | 96.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -114.5 | 127.7 | -174.6 | -49.6 | -53.3 | 0 | 0 | 0 | 112.1 | V235 L247 L255 Y258 I259 N262 K266 M269 L270 I273 | V235-F264 HydrophobicContact CG1-CD1 4.12Å; V235-F264 HydrophobicContact CG1-CE1 3.52Å; V235-F264 HydrophobicContact CG1-CZ 4.29Å; L247-F264 HydrophobicContact CD1-CE1 4.41Å; L247-F264 HydrophobicContact CD1-CZ 4.25Å; L255-F264 HydrophobicContact CD2-CE2 4.23Å; L255-F264 HydrophobicContact CD2-CZ 3.91Å; Y258-F264 HydrophobicContact CD2-CZ 4.41Å; Y258-F264 HydrophobicContact CG-CZ 4.39Å; I259-F264 HydrophobicContact CG1-CD2 3.72Å; I259-F264 HydrophobicContact CG1-CE2 3.99Å; N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 PolarHBondContact O-N 3.24Å; F264-K266 PolarHBondContact O-N 2.93Å; F264-M269 HydrophobicContact CB-CB 4.3Å; F264-M269 HydrophobicContact CB-CG 4.25Å; F264-M269 HydrophobicContact CD1-CG 3.99Å; F264-M269 HydrophobicContact CG-CG 4.37Å; F264-L270 HydrophobicContact CB-CB 4.07Å; F264-L270 HydrophobicContact CB-CD1 4.34Å; F264-I273 HydrophobicContact CD1-CG1 4.18Å; F264-I273 HydrophobicContact CD2-CB 4.19Å; F264-I273 HydrophobicContact CD2-CG1 3.84Å; F264-I273 HydrophobicContact CD2-CG2 4.05Å; F264-I273 HydrophobicContact CE1-CG1 4.34Å; F264-I273 HydrophobicContact CE2-CB 4.38Å; F264-I273 HydrophobicContact CE2-CG1 4Å; F264-I273 HydrophobicContact CE2-CG2 3.84Å; F264-I273 HydrophobicContact CG-CG1 3.93Å; F264-I273 HydrophobicContact CZ-CG1 4.25Å |
| 265 | A | 91.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | trans | -66.5 | 130.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G267 S268 M269 L270 | A265-G267 VanDerWaalsContact C-N 3.31Å; A265-G267 PolarHBondContact O-N 2.89Å; A265-S268 PolarHBondContact O-N 3.15Å; A265-M269 PolarHBondContact O-N 3.44Å; A265-M269 VanDerWaalsContact O-N 3.17Å; A265-L270 WeakPolarHBondContact O-CB 3.07Å; A265-L270 PolarHBondContact O-N 2.82Å | ||
| 266 | K | 86 | Confident | 94.8 | Very high | 167 Ų | 167 | 56.7 Ų | 56.7 | 73% | 0.726 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.5 | -173.8 | -66.6 | -175.3 | 178 | -179 | 0 | 114.9 | F264 L270 P271 | F264-K266 PolarHBondContact O-N 2.93Å; K266-L270 HydrophobicContact CB-CD2 4.42Å; K266-L270 HydrophobicContact CG-CD2 3.94Å; K266-P271 WeakPolarHBondContact O-CD 3.46Å |
| 267 | G | 79.1 | Confident | 94.8 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 76% | 0.763 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A265 | A265-G267 VanDerWaalsContact C-N 3.31Å; A265-G267 PolarHBondContact O-N 2.89Å |
| 268 | S | 84.4 | Confident | 94.8 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | -65.7 | -169.7 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | A265 K272 | A265-S268 PolarHBondContact O-N 3.15Å; S268-K272 WeakPolarHBondContact O-CE 3.06Å |
| 269 | M | 93.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 49 Ų | 49 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -39.9 | -173 | -171.2 | 53.8 | 60.9 | 0 | 0 | 112.3 | I232 V235 F264 A265 K272 I273 | I232-M269 HydrophobicContact CD1-CE 3.36Å; I232-M269 HydrophobicContact CG1-CE 4.12Å; V235-M269 HydrophobicContact CG1-CG 4.33Å; V235-M269 HydrophobicContact CG1-SD 4.28Å; V235-M269 HydrophobicContact CG2-SD 3.93Å; F264-M269 HydrophobicContact CB-CB 4.3Å; F264-M269 HydrophobicContact CB-CG 4.25Å; F264-M269 HydrophobicContact CD1-CG 3.99Å; F264-M269 HydrophobicContact CG-CG 4.37Å; A265-M269 PolarHBondContact O-N 3.44Å; A265-M269 VanDerWaalsContact O-N 3.17Å; M269-K272 HydrophobicContact CE-CD 4.44Å; M269-K272 WeakPolarHBondContact O-CA 3.43Å; M269-K272 WeakPolarHBondContact O-CB 3.27Å; M269-K272 PolarHBondContact O-N 2.62Å; M269-K272 HydrophobicContact SD-CB 4.26Å; M269-K272 HydrophobicContact SD-CD 4.18Å; M269-I273 HydrophobicContact CG-CD1 4.5Å; M269-I273 HydrophobicContact CG-CG1 4.12Å; M269-I273 PolarHBondContact O-N 3.46Å; M269-I273 VanDerWaalsContact O-N 3.1Å; M269-I273 HydrophobicContact SD-CD1 4.24Å; M269-I273 HydrophobicContact SD-CG1 4.37Å |
| 270 | L | 94.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | -177.4 | 178.6 | 64.9 | 0 | 0 | 0 | 112.8 | I259 F264 A265 K266 K272 I273 E274 | I259-L270 HydrophobicContact CD1-CD1 4.13Å; I259-L270 HydrophobicContact CG1-CD1 3.77Å; I259-L270 HydrophobicContact CG2-CD1 4.07Å; F264-L270 HydrophobicContact CB-CB 4.07Å; F264-L270 HydrophobicContact CB-CD1 4.34Å; A265-L270 WeakPolarHBondContact O-CB 3.07Å; A265-L270 PolarHBondContact O-N 2.82Å; K266-L270 HydrophobicContact CB-CD2 4.42Å; K266-L270 HydrophobicContact CG-CD2 3.94Å; L270-K272 PolarHBondContact O-N 3.01Å; L270-I273 PolarHBondContact O-N 2.96Å; L270-I273 VanDerWaalsContact O-N 3.09Å; L270-E274 HydrophobicContact CD1-CG 4.13Å; L270-E274 HydrophobicContact CG-CG 4.28Å; L270-E274 WeakPolarHBondContact O-CG 3.5Å; L270-E274 PolarHBondContact O-N 2.78Å |
| 271 | P | 93.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -31.1 | 177.5 | -25.1 | 35.9 | 0 | 0 | 0 | 113.7 | K266 A275 | K266-P271 WeakPolarHBondContact O-CD 3.46Å; P271-A275 VanDerWaalsContact O-CB 3.24Å; P271-A275 WeakPolarHBondContact O-CB 3.42Å; P271-A275 PolarHBondContact O-N 3.34Å |
| 272 | K | 96.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 176.7 | -59.9 | -178.5 | -170.5 | -53.6 | 0 | 111.6 | D211 I228 S268 M269 L270 A276 I290 | D211-K272 IonicContact OD1-NZ 2.74Å; D211-K272 WeakPolarHBondContact OD2-CG 3.24Å; D211-K272 IonicContact OD2-NZ 2.62Å; D211-K272 PolarHBondContact OD2-NZ 3.24Å; I228-K272 HydrophobicContact CD1-CB 4.47Å; I228-K272 HydrophobicContact CG2-CD 3.96Å; I228-K272 HydrophobicContact CG2-CG 4.16Å; S268-K272 WeakPolarHBondContact O-CE 3.06Å; M269-K272 HydrophobicContact CE-CD 4.44Å; M269-K272 WeakPolarHBondContact O-CA 3.43Å; M269-K272 WeakPolarHBondContact O-CB 3.27Å; M269-K272 PolarHBondContact O-N 2.62Å; M269-K272 HydrophobicContact SD-CB 4.26Å; M269-K272 HydrophobicContact SD-CD 4.18Å; L270-K272 PolarHBondContact O-N 3.01Å; K272-A276 WeakPolarHBondContact O-CB 3.42Å; K272-A276 PolarHBondContact O-N 3.47Å; K272-I290 HydrophobicContact CB-CD1 4.28Å |
| 273 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.2 | -44.2 | 176.8 | -57.9 | -54.4 | 0 | 0 | 0 | 110.4 | V235 L255 I259 F264 M269 L270 A275 A276 I277 I290 | V235-I273 HydrophobicContact CG1-CD1 3.9Å; V235-I273 HydrophobicContact CG2-CD1 3.93Å; L255-I273 HydrophobicContact CB-CG2 3.97Å; L255-I273 HydrophobicContact CD1-CG2 4.15Å; L255-I273 HydrophobicContact CD2-CD1 4.28Å; L255-I273 HydrophobicContact CD2-CG2 4Å; L255-I273 HydrophobicContact CG-CG2 4.27Å; I259-I273 HydrophobicContact CD1-CG2 3.92Å; I259-I273 HydrophobicContact CG1-CG2 4.28Å; F264-I273 HydrophobicContact CD1-CG1 4.18Å; F264-I273 HydrophobicContact CD2-CB 4.19Å; F264-I273 HydrophobicContact CD2-CG1 3.84Å; F264-I273 HydrophobicContact CD2-CG2 4.05Å; F264-I273 HydrophobicContact CE1-CG1 4.34Å; F264-I273 HydrophobicContact CE2-CB 4.38Å; F264-I273 HydrophobicContact CE2-CG1 4Å; F264-I273 HydrophobicContact CE2-CG2 3.84Å; F264-I273 HydrophobicContact CG-CG1 3.93Å; F264-I273 HydrophobicContact CZ-CG1 4.25Å; M269-I273 HydrophobicContact CG-CD1 4.5Å; M269-I273 HydrophobicContact CG-CG1 4.12Å; M269-I273 PolarHBondContact O-N 3.46Å; M269-I273 VanDerWaalsContact O-N 3.1Å; M269-I273 HydrophobicContact SD-CD1 4.24Å; M269-I273 HydrophobicContact SD-CG1 4.37Å; L270-I273 PolarHBondContact O-N 2.96Å; L270-I273 VanDerWaalsContact O-N 3.09Å; I273-A275 PolarHBondContact O-N 2.96Å; I273-A276 PolarHBondContact O-N 3.12Å; I273-I277 HydrophobicContact CG2-CD1 3.95Å; I273-I277 HydrophobicContact CG2-CG1 4.46Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 3.41Å; I273-I290 HydrophobicContact CD1-CD1 3.93Å |
| 274 | E | 97.5 | Very high | 94.9 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.1 | -71 | 177.9 | 170.9 | 0 | 0 | 111.8 | K212 L270 A276 I277 S278 | K212-E274 WeakPolarHBondContact CE-OE2 3.32Å; K212-E274 IonicContact NZ-OE2 2.79Å; K212-E274 PolarHBondContact NZ-OE2 3.13Å; L270-E274 HydrophobicContact CD1-CG 4.13Å; L270-E274 HydrophobicContact CG-CG 4.28Å; L270-E274 WeakPolarHBondContact O-CG 3.5Å; L270-E274 PolarHBondContact O-N 2.78Å; E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.28Å; E274-I277 PolarHBondContact O-N 2.9Å; E274-S278 WeakPolarHBondContact O-CB 3.49Å; E274-S278 PolarHBondContact O-N 3.37Å |
| 275 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D211 K212 A215 P271 I273 S278 F279 | D211-A275 VanDerWaalsContact C-CB 3.5Å; D211-A275 HydrophobicContact CB-CB 4Å; D211-A275 WeakPolarHBondContact O-CB 3.44Å; K212-A275 HydrophobicContact CG-CB 4.18Å; A215-A275 HydrophobicContact CB-CB 4.03Å; A215-A275 WeakPolarHBondContact CB-O 3.43Å; P271-A275 VanDerWaalsContact O-CB 3.24Å; P271-A275 WeakPolarHBondContact O-CB 3.42Å; P271-A275 PolarHBondContact O-N 3.34Å; I273-A275 PolarHBondContact O-N 2.96Å; A275-S278 PolarHBondContact O-N 2.86Å; A275-F279 WeakPolarHBondContact O-CB 3.29Å; A275-F279 PolarHBondContact O-N 3.01Å |
| 276 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K272 I273 E274 F279 I280 V288 I308 | K272-A276 WeakPolarHBondContact O-CB 3.42Å; K272-A276 PolarHBondContact O-N 3.47Å; I273-A276 PolarHBondContact O-N 3.12Å; E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.28Å; A276-F279 PolarHBondContact O-N 3.38Å; A276-I280 WeakPolarHBondContact O-CG1 3.4Å; A276-I280 PolarHBondContact O-N 3.16Å; A276-V288 HydrophobicContact CB-CB 4.08Å; A276-V288 HydrophobicContact CB-CG1 3.85Å; A276-V288 HydrophobicContact CB-CG2 3.95Å; A276-I308 HydrophobicContact CB-CD1 3.49Å; A276-I308 VanDerWaalsContact CB-CD1 3.49Å |
| 277 | I | 98.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -51.6 | 174.5 | -70.8 | 167 | 0 | 0 | 0 | 109.8 | V252 L255 K256 I259 I273 E274 F279 I280 E281 | V252-I277 HydrophobicContact CG1-CG1 4.42Å; V252-I277 HydrophobicContact CG1-CG2 3.91Å; L255-I277 HydrophobicContact CB-CD1 3.97Å; L255-I277 HydrophobicContact CB-CG1 4.23Å; L255-I277 HydrophobicContact CD1-CG1 4.3Å; K256-I277 HydrophobicContact CG-CD1 4.11Å; I259-I277 HydrophobicContact CD1-CD1 3.56Å; I273-I277 HydrophobicContact CG2-CD1 3.95Å; I273-I277 HydrophobicContact CG2-CG1 4.46Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 3.41Å; E274-I277 PolarHBondContact O-N 2.9Å; I277-F279 VanDerWaalsContact C-N 3.3Å; I277-F279 PolarHBondContact O-N 3.24Å; I277-I280 PolarHBondContact O-N 3.18Å; I277-I280 VanDerWaalsContact O-N 3.13Å; I277-E281 HydrophobicContact CG2-CG 4.26Å; I277-E281 WeakPolarHBondContact O-CG 3.3Å; I277-E281 PolarHBondContact O-N 3.08Å |
| 278 | S | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.8 | -41.7 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | E274 A275 N282 | E274-S278 WeakPolarHBondContact O-CB 3.49Å; E274-S278 PolarHBondContact O-N 3.37Å; A275-S278 PolarHBondContact O-N 2.86Å; S278-N282 WeakPolarHBondContact O-CB 3.48Å; S278-N282 PolarHBondContact O-N 3.31Å; S278-N282 VanDerWaalsContact O-N 3.15Å; S278-N282 PolarHBondContact O-ND2 3.48Å |
| 279 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 174.7 | 172 | -95.5 | 0 | 0 | 0 | 111.8 | A215 A219 C223 L226 A275 A276 I277 E281 N282 N283 S287 V288 | A215-F279 HydrophobicContact CB-CB 3.87Å; A219-F279 HydrophobicContact CB-CD2 4.34Å; C223-F279 WeakPolarHBondContact SG-CE2 3.19Å; L226-F279 HydrophobicContact CB-CD1 4.28Å; L226-F279 HydrophobicContact CB-CD2 4.17Å; L226-F279 HydrophobicContact CB-CE1 4.21Å; L226-F279 HydrophobicContact CB-CE2 4.12Å; L226-F279 HydrophobicContact CB-CG 4.24Å; L226-F279 HydrophobicContact CB-CZ 4.12Å; L226-F279 HydrophobicContact CD2-CB 3.99Å; L226-F279 HydrophobicContact CD2-CD2 4.22Å; L226-F279 HydrophobicContact CD2-CG 4Å; A275-F279 WeakPolarHBondContact O-CB 3.29Å; A275-F279 PolarHBondContact O-N 3.01Å; A276-F279 PolarHBondContact O-N 3.38Å; I277-F279 VanDerWaalsContact C-N 3.3Å; I277-F279 PolarHBondContact O-N 3.24Å; F279-E281 PolarHBondContact O-N 2.93Å; F279-N282 CarbonylContact O-C 3.56Å; F279-N282 PolarHBondContact O-N 3.4Å; F279-N283 HydrophobicContact CE2-CB 4.21Å; F279-N283 HydrophobicContact CZ-CB 4.27Å; F279-N283 VanDerWaalsContact CZ-ND2 3.29Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.42Å; F279-N283 WeakPolarHBondContact O-CA 3.35Å; F279-N283 WeakPolarHBondContact O-CB 3.36Å; F279-N283 PolarHBondContact O-N 2.98Å; F279-S287 WeakPolarHBondContact CE1-O 3.29Å; F279-V288 HydrophobicContact CB-CG2 4.24Å; F279-V288 HydrophobicContact CD1-CG2 3.34Å; F279-V288 HydrophobicContact CE1-CG2 3.99Å; F279-V288 HydrophobicContact CG-CG2 4.08Å |
| 280 | I | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | -177 | -64.9 | -65 | 0 | 0 | 0 | 111.6 | V252 A276 I277 N282 N283 P284 G286 V288 I308 K310 | V252-I280 HydrophobicContact CG2-CB 3.82Å; V252-I280 HydrophobicContact CG2-CG1 4.49Å; V252-I280 HydrophobicContact CG2-CG2 3.51Å; A276-I280 WeakPolarHBondContact O-CG1 3.4Å; A276-I280 PolarHBondContact O-N 3.16Å; I277-I280 PolarHBondContact O-N 3.18Å; I277-I280 VanDerWaalsContact O-N 3.13Å; I280-N282 VanDerWaalsContact C-N 3.33Å; I280-N282 PolarHBondContact O-N 3.28Å; I280-N283 CarbonylContact O-C 3.19Å; I280-N283 VanDerWaalsContact O-C 3.23Å; I280-N283 PolarHBondContact O-N 3.48Å; I280-P284 WeakPolarHBondContact O-CA 3.3Å; I280-P284 VanDerWaalsContact O-N 3.11Å; I280-G286 WeakPolarHBondContact CD1-O 3.31Å; I280-V288 HydrophobicContact CD1-CG2 4.04Å; I280-V288 HydrophobicContact CG1-CG2 4.02Å; I280-I308 HydrophobicContact CG1-CG2 4.32Å; I280-K310 HydrophobicContact CG2-CB 4.01Å; I280-K310 HydrophobicContact CG2-CG 4.47Å |
| 281 | E | 98 | Very high | 97.7 | Very high | 103 Ų | 103 | 31.7 Ų | 31.7 | 48% | 0.481 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 177.2 | -72.3 | -179.9 | 153.2 | 0 | 0 | 112 | K256 I277 F279 | K256-E281 WeakPolarHBondContact CE-OE1 3.42Å; K256-E281 IonicContact NZ-OE1 3.88Å; K256-E281 PolarHBondContact NZ-OE1 3.45Å; I277-E281 HydrophobicContact CG2-CG 4.26Å; I277-E281 WeakPolarHBondContact O-CG 3.3Å; I277-E281 PolarHBondContact O-N 3.08Å; F279-E281 PolarHBondContact O-N 2.93Å |
| 282 | N | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 31.1 Ų | 31.1 | 55% | 0.551 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -87.8 | -14.2 | 178.8 | -69.9 | -74.3 | 0 | 0 | 0 | 113.9 | A219 S278 F279 I280 | A219-N282 HydrophobicContact CB-CB 3.82Å; S278-N282 WeakPolarHBondContact O-CB 3.48Å; S278-N282 PolarHBondContact O-N 3.31Å; S278-N282 VanDerWaalsContact O-N 3.15Å; S278-N282 PolarHBondContact O-ND2 3.48Å; F279-N282 CarbonylContact O-C 3.56Å; F279-N282 PolarHBondContact O-N 3.4Å; I280-N282 VanDerWaalsContact C-N 3.33Å; I280-N282 PolarHBondContact O-N 3.28Å |
| 283 | N | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | trans | -142.6 | 72.2 | 178.3 | -175.2 | 16.3 | 0 | 0 | 0 | 111 | A219 C223 F279 I280 K285 G286 | A219-N283 HydrophobicContact CB-CB 4.34Å; C223-N283 PolarHBondContact O-ND2 3.25Å; F279-N283 HydrophobicContact CE2-CB 4.21Å; F279-N283 HydrophobicContact CZ-CB 4.27Å; F279-N283 VanDerWaalsContact CZ-ND2 3.29Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.42Å; F279-N283 WeakPolarHBondContact O-CA 3.35Å; F279-N283 WeakPolarHBondContact O-CB 3.36Å; F279-N283 PolarHBondContact O-N 2.98Å; I280-N283 CarbonylContact O-C 3.19Å; I280-N283 VanDerWaalsContact O-C 3.23Å; I280-N283 PolarHBondContact O-N 3.48Å; N283-K285 PolarHBondContact O-N 3.02Å; N283-G286 PolarHBondContact O-N 2.81Å | ||
| 284 | P | 97.3 | Very high | 97 | Very high | 58 Ų | 58 | 38 Ų | 38 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.8 | -170.1 | 24.2 | -35.3 | 0 | 0 | 0 | 115.4 | I280 K310 | I280-P284 WeakPolarHBondContact O-CA 3.3Å; I280-P284 VanDerWaalsContact O-N 3.11Å; P284-K310 HydrophobicContact CB-CD 3.66Å |
| 285 | K | 97 | Very high | 96.7 | Very high | 199 Ų | 199 | 37.9 Ų | 37.9 | 87% | 0.865 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -19.2 | 175.3 | -65.7 | -179.5 | -179.3 | 176.4 | 0 | 112.4 | N283 | N283-K285 PolarHBondContact O-N 3.02Š|
| 286 | G | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | trans | -76.6 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D224 I280 N283 | D224-G286 CarbonylContact O-C 3.54Å; D224-G286 VanDerWaalsContact O-CA 3.32Å; D224-G286 WeakPolarHBondContact O-CA 3.44Å; I280-G286 WeakPolarHBondContact CD1-O 3.31Å; N283-G286 PolarHBondContact O-N 2.81Å | ||
| 287 | S | 98.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.2 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | D224 Q225 L226 F279 I308 | D224-S287 PolarHBondContact O-N 2.95Å; Q225-S287 CarbonylContact C-O 3.6Å; Q225-S287 VanDerWaalsContact CA-O 3.29Å; Q225-S287 WeakPolarHBondContact CA-O 3.29Å; L226-S287 PolarHBondContact N-O 3.5Å; F279-S287 WeakPolarHBondContact CE1-O 3.29Å; S287-I308 WeakPolarHBondContact CA-O 3.31Å |
| 288 | V | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 170.8 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | L226 I228 A276 F279 I280 I290 V307 I308 | L226-V288 HydrophobicContact CB-CG1 4.36Å; L226-V288 HydrophobicContact CB-CG2 4.26Å; L226-V288 HydrophobicContact CD2-CG1 4.18Å; L226-V288 HydrophobicContact CD2-CG2 4.26Å; L226-V288 HydrophobicContact CG-CG1 4.22Å; L226-V288 CarbonylContact O-C 3.23Å; L226-V288 VanDerWaalsContact O-CA 3.24Å; L226-V288 WeakPolarHBondContact O-CA 3.14Å; L226-V288 WeakPolarHBondContact O-CG1 3.43Å; I228-V288 HydrophobicContact CD1-CG1 4.15Å; I228-V288 HydrophobicContact CG1-CG1 4.37Å; A276-V288 HydrophobicContact CB-CB 4.08Å; A276-V288 HydrophobicContact CB-CG1 3.85Å; A276-V288 HydrophobicContact CB-CG2 3.95Å; F279-V288 HydrophobicContact CB-CG2 4.24Å; F279-V288 HydrophobicContact CD1-CG2 3.34Å; F279-V288 HydrophobicContact CE1-CG2 3.99Å; F279-V288 HydrophobicContact CG-CG2 4.08Å; I280-V288 HydrophobicContact CD1-CG2 4.04Å; I280-V288 HydrophobicContact CG1-CG2 4.02Å; V288-I290 HydrophobicContact CG1-CG1 4.14Å; V288-V307 CarbonylContact O-C 3.59Å; V288-V307 WeakPolarHBondContact O-CA 3.31Å; V288-I308 HydrophobicContact CB-CB 4.14Å; V288-I308 HydrophobicContact CB-CD1 4.36Å; V288-I308 PolarHBondContact N-O 3.19Å; V288-I308 PolarHBondContact O-N 2.85Å |
| 289 | L | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.4 | 169.8 | 173.3 | 63.1 | 0 | 0 | 0 | 108.7 | L226 I227 I228 T291 A299 T306 V307 | L226-L289 PolarHBondContact O-N 3.1Å; I227-L289 CarbonylContact C-O 3.58Å; I227-L289 WeakPolarHBondContact CA-O 3.32Å; I227-L289 HydrophobicContact CD1-CD2 4.36Å; I227-L289 HydrophobicContact CG1-CB 4.26Å; I227-L289 HydrophobicContact CG1-CD2 4.32Å; I227-L289 HydrophobicContact CG2-CD2 4.24Å; I227-L289 HydrophobicContact CG2-CG 4.45Å; I228-L289 PolarHBondContact N-O 3Å; L289-T291 HydrophobicContact CD1-CG2 4.44Å; L289-T291 HydrophobicContact CD2-CG2 4.26Å; L289-T291 HydrophobicContact CG-CG2 4.15Å; L289-A299 HydrophobicContact CD1-CB 4.24Å; L289-A299 HydrophobicContact CD2-CB 3.9Å; L289-T306 WeakPolarHBondContact CA-O 3.23Å; L289-V307 HydrophobicContact CD1-CG2 4.1Å |
| 290 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.4 | 171 | -53.2 | -176.4 | 0 | 0 | 0 | 108.2 | I228 T230 V235 K272 I273 V288 T306 I308 | I228-I290 HydrophobicContact CB-CG1 4.26Å; I228-I290 HydrophobicContact CD1-CG1 4.46Å; I228-I290 WeakPolarHBondContact O-CA 3.48Å; T230-I290 HydrophobicContact CG2-CG2 4.02Å; V235-I290 HydrophobicContact CG2-CB 3.97Å; V235-I290 HydrophobicContact CG2-CD1 3.9Å; V235-I290 HydrophobicContact CG2-CG1 4.47Å; V235-I290 HydrophobicContact CG2-CG2 3.89Å; K272-I290 HydrophobicContact CB-CD1 4.28Å; I273-I290 HydrophobicContact CD1-CD1 3.93Å; V288-I290 HydrophobicContact CG1-CG1 4.14Å; I290-T306 PolarHBondContact N-O 3.17Å; I290-T306 PolarHBondContact O-N 3.37Å; I290-I308 HydrophobicContact CD1-CD1 3.83Å; I290-I308 HydrophobicContact CG1-CD1 4.29Å |
| 291 | T | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | -177.4 | -178.7 | -163.1 | 0 | 0 | 0 | 0 | 111.8 | I228 L229 T230 I232 D233 L289 A299 | I228-T291 PolarHBondContact O-N 2.88Å; L229-T291 WeakPolarHBondContact CA-O 3.37Å; L229-T291 HydrophobicContact CD2-CG2 3.94Å; T230-T291 PolarHBondContact N-O 2.98Å; I232-T291 CarbonylContact O-C 3.56Å; D233-T291 PolarHBondContact O-OG1 3.17Å; L289-T291 HydrophobicContact CD1-CG2 4.44Å; L289-T291 HydrophobicContact CD2-CG2 4.26Å; L289-T291 HydrophobicContact CG-CG2 4.15Å; T291-A299 HydrophobicContact CG2-CB 3.72Å |
| 292 | S | 94.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 156.2 | 175.5 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | T230 I232 D233 N294 E295 L296 | T230-S292 VanDerWaalsContact O-CA 3.32Å; T230-S292 WeakPolarHBondContact O-CA 3.36Å; I232-S292 PolarHBondContact O-N 3.41Å; I232-S292 VanDerWaalsContact O-N 3.08Å; D233-S292 VanDerWaalsContact OD1-CB 3.22Å; D233-S292 WeakPolarHBondContact OD1-CB 3.49Å; D233-S292 PolarHBondContact OD1-OG 2.72Å; S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact O-N 3.29Å; S292-E295 PolarHBondContact O-N 2.97Å; S292-E295 WeakPolarHBondContact OG-CG 3.49Å; S292-E295 PolarHBondContact OG-N 3.45Å; S292-L296 PolarHBondContact O-N 3.04Å |
| 293 | L | 89.6 | Confident | 93.4 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -61.9 | -37.5 | 177.2 | 177.1 | 64.4 | 0 | 0 | 0 | 111.8 | A12 T27 L229 E295 L296 | A12-L293 HydrophobicContact CB-CD2 4.31Å; T27-L293 HydrophobicContact CG2-CD1 4.01Å; T27-L293 HydrophobicContact CG2-CD2 3.96Å; T27-L293 VanDerWaalsContact OG1-CD2 3.27Å; T27-L293 WeakPolarHBondContact OG1-CD2 3.41Å; L229-L293 HydrophobicContact CD1-CB 4.42Å; L229-L293 HydrophobicContact CD1-CD1 3.62Å; L293-E295 VanDerWaalsContact C-N 3.27Å; L293-E295 PolarHBondContact O-N 3.43Å; L293-L296 HydrophobicContact CD1-CD2 4.45Å; L293-L296 VanDerWaalsContact O-CB 3.3Å; L293-L296 WeakPolarHBondContact O-CB 3.36Å; L293-L296 PolarHBondContact O-N 2.97Å |
| 294 | N | 88.3 | Confident | 93.3 | Very high | 148 Ų | 148 | 47.8 Ų | 47.8 | 79% | 0.791 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.7 | -179.1 | -67.6 | -12 | 0 | 0 | 0 | 112.4 | S292 | S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact O-N 3.29Å |
| 295 | E | 91.7 | Very high | 93.3 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 6.5 | -179.9 | -64.8 | -60.6 | 143 | 0 | 0 | 112.8 | D233 S292 L293 D297 A298 A299 V304 | D233-E295 HydrophobicContact CB-CG 4.35Å; D233-E295 WeakPolarHBondContact OD1-CG 3.29Å; S292-E295 PolarHBondContact O-N 2.97Å; S292-E295 WeakPolarHBondContact OG-CG 3.49Å; S292-E295 PolarHBondContact OG-N 3.45Å; L293-E295 VanDerWaalsContact C-N 3.27Å; L293-E295 PolarHBondContact O-N 3.43Å; E295-D297 VanDerWaalsContact C-N 3.35Å; E295-D297 PolarHBondContact O-N 2.95Å; E295-A298 PolarHBondContact O-N 3.36Å; E295-A298 VanDerWaalsContact O-N 3.17Å; E295-A299 VanDerWaalsContact O-CB 3.23Å; E295-A299 WeakPolarHBondContact O-CB 3.14Å; E295-A299 PolarHBondContact O-N 3.43Å; E295-V304 HydrophobicContact CB-CB 4.32Å; E295-V304 HydrophobicContact CB-CG1 3.81Å; E295-V304 HydrophobicContact CG-CG1 4Å |
| 296 | L | 88.9 | Confident | 93.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | -173.9 | 177.5 | 55.9 | 0 | 0 | 0 | 112.3 | L31 L34 I227 L229 S292 L293 A298 A299 L300 | L31-L296 HydrophobicContact CD2-CD2 4.28Å; L34-L296 HydrophobicContact CD1-CD2 4.14Å; I227-L296 HydrophobicContact CD1-CD1 4.32Å; I227-L296 HydrophobicContact CG2-CD1 4.2Å; L229-L296 HydrophobicContact CD1-CD2 4.22Å; L229-L296 HydrophobicContact CD2-CD1 4.2Å; S292-L296 PolarHBondContact O-N 3.04Å; L293-L296 HydrophobicContact CD1-CD2 4.45Å; L293-L296 VanDerWaalsContact O-CB 3.3Å; L293-L296 WeakPolarHBondContact O-CB 3.36Å; L293-L296 PolarHBondContact O-N 2.97Å; L296-A298 PolarHBondContact O-N 2.87Å; L296-A299 PolarHBondContact O-N 3.02Å; L296-L300 HydrophobicContact CD1-CD1 3.85Å; L296-L300 HydrophobicContact CD1-CD2 4.38Å; L296-L300 HydrophobicContact CD1-CG 3.94Å; L296-L300 HydrophobicContact CG-CD1 3.93Å; L296-L300 HydrophobicContact CG-CG 4.48Å; L296-L300 WeakPolarHBondContact O-CD1 3.42Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 2.84Å |
| 297 | D | 87.2 | Confident | 93.4 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.5 | -73 | -37.8 | 0 | 0 | 0 | 112.1 | E295 A299 L300 E301 | E295-D297 VanDerWaalsContact C-N 3.35Å; E295-D297 PolarHBondContact O-N 2.95Å; D297-A299 VanDerWaalsContact C-N 3.31Å; D297-A299 PolarHBondContact O-N 3.35Å; D297-L300 PolarHBondContact O-N 3.42Å; D297-E301 PolarHBondContact O-N 3.13Å |
| 298 | A | 91.8 | Very high | 93.4 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E295 L296 E301 G302 K303 V304 | E295-A298 PolarHBondContact O-N 3.36Å; E295-A298 VanDerWaalsContact O-N 3.17Å; L296-A298 PolarHBondContact O-N 2.87Å; A298-E301 PolarHBondContact O-N 3.26Å; A298-G302 PolarHBondContact O-N 3.35Å; A298-K303 HydrophobicContact CB-CB 4.41Å; A298-K303 VanDerWaalsContact O-CB 3.32Å; A298-K303 WeakPolarHBondContact O-CB 3.44Å; A298-K303 PolarHBondContact O-N 3.49Å; A298-V304 HydrophobicContact CB-CB 4.38Å; A298-V304 HydrophobicContact CB-CG2 4.08Å |
| 299 | A | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L289 T291 E295 L296 D297 E301 G302 V304 | L289-A299 HydrophobicContact CD1-CB 4.24Å; L289-A299 HydrophobicContact CD2-CB 3.9Å; T291-A299 HydrophobicContact CG2-CB 3.72Å; E295-A299 VanDerWaalsContact O-CB 3.23Å; E295-A299 WeakPolarHBondContact O-CB 3.14Å; E295-A299 PolarHBondContact O-N 3.43Å; L296-A299 PolarHBondContact O-N 3.02Å; D297-A299 VanDerWaalsContact C-N 3.31Å; D297-A299 PolarHBondContact O-N 3.35Å; A299-E301 PolarHBondContact O-N 2.95Å; A299-G302 WeakPolarHBondContact O-CA 3.31Å; A299-G302 PolarHBondContact O-N 2.89Å; A299-V304 WeakPolarHBondContact CA-O 3.36Å; A299-V304 VanDerWaalsContact CB-O 3.23Å; A299-V304 WeakPolarHBondContact CB-O 3.43Å |
| 300 | L | 86.2 | Confident | 93.1 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -24.7 | 173.5 | -67.7 | 163.9 | 0 | 0 | 0 | 113 | L34 I227 L296 D297 | L34-L300 HydrophobicContact CD1-CD1 4.37Å; L34-L300 HydrophobicContact CD2-CD1 3.2Å; L34-L300 HydrophobicContact CD2-CD2 3.53Å; L34-L300 HydrophobicContact CD2-CG 3.96Å; L34-L300 HydrophobicContact CG-CD1 3.67Å; I227-L300 HydrophobicContact CD1-CD2 3.79Å; L296-L300 HydrophobicContact CD1-CD1 3.85Å; L296-L300 HydrophobicContact CD1-CD2 4.38Å; L296-L300 HydrophobicContact CD1-CG 3.94Å; L296-L300 HydrophobicContact CG-CD1 3.93Å; L296-L300 HydrophobicContact CG-CG 4.48Å; L296-L300 WeakPolarHBondContact O-CD1 3.42Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 2.84Å; D297-L300 PolarHBondContact O-N 3.42Å |
| 301 | E | 88.3 | Confident | 92.9 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.3 | 170.5 | -65.1 | 177.2 | 178.2 | 0 | 0 | 112.8 | D297 A298 A299 K303 | D297-E301 PolarHBondContact O-N 3.13Å; A298-E301 PolarHBondContact O-N 3.26Å; A299-E301 PolarHBondContact O-N 2.95Å; E301-K303 VanDerWaalsContact C-N 3.29Å; E301-K303 HydrophobicContact CB-CD 4.14Å; E301-K303 HydrophobicContact CB-CG 4.13Å; E301-K303 PolarHBondContact O-N 3.37Å; E301-K303 WeakPolarHBondContact OE2-CE 3.44Å; E301-K303 IonicContact OE2-NZ 3.89Å; E301-K303 PolarHBondContact OE2-NZ 3.3Å |
| 302 | G | 90.2 | Very high | 92.7 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 17.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A298 A299 | A298-G302 PolarHBondContact O-N 3.35Å; A299-G302 WeakPolarHBondContact O-CA 3.31Å; A299-G302 PolarHBondContact O-N 2.89Å |
| 303 | K | 93.3 | Very high | 92.6 | Very high | 137 Ų | 137 | 57 Ų | 57 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -88.3 | -30.1 | -177.9 | -61.5 | 173.6 | 175.4 | 169 | 0 | 113 | Y234 A298 E301 | Y234-K303 PolarHBondContact OH-O 3.04Å; A298-K303 HydrophobicContact CB-CB 4.41Å; A298-K303 VanDerWaalsContact O-CB 3.32Å; A298-K303 WeakPolarHBondContact O-CB 3.44Å; A298-K303 PolarHBondContact O-N 3.49Å; E301-K303 VanDerWaalsContact C-N 3.29Å; E301-K303 HydrophobicContact CB-CD 4.14Å; E301-K303 HydrophobicContact CB-CG 4.13Å; E301-K303 PolarHBondContact O-N 3.37Å; E301-K303 WeakPolarHBondContact OE2-CE 3.44Å; E301-K303 IonicContact OE2-NZ 3.89Å; E301-K303 PolarHBondContact OE2-NZ 3.3Å |
| 304 | V | 95.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -136.9 | 161.5 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 110 | D233 Y234 E295 A298 A299 | D233-V304 HydrophobicContact CB-CG1 3.88Å; Y234-V304 HydrophobicContact CE2-CG1 3.93Å; Y234-V304 WeakPolarHBondContact OH-CA 3.23Å; E295-V304 HydrophobicContact CB-CB 4.32Å; E295-V304 HydrophobicContact CB-CG1 3.81Å; E295-V304 HydrophobicContact CG-CG1 4Å; A298-V304 HydrophobicContact CB-CB 4.38Å; A298-V304 HydrophobicContact CB-CG2 4.08Å; A299-V304 WeakPolarHBondContact CA-O 3.36Å; A299-V304 VanDerWaalsContact CB-O 3.23Å; A299-V304 WeakPolarHBondContact CB-O 3.43Å |
| 305 | G | 97.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 102.4 | 159.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D233 Y234 | D233-G305 WeakPolarHBondContact O-CA 3.45Å; D233-G305 PolarHBondContact O-N 3.12Å; Y234-G305 VanDerWaalsContact CD1-C 3.43Å; Y234-G305 VanDerWaalsContact CD1-O 3.25Å; Y234-G305 WeakPolarHBondContact CD1-O 3.49Å; Y234-G305 VanDerWaalsContact CE1-N 3.28Å; Y234-G305 WeakPolarHBondContact CE1-O 3.34Å |
| 306 | T | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.7 | 168.3 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | V235 L247 K248 T250 L289 I290 I308 | V235-T306 HydrophobicContact CB-CG2 4.11Å; V235-T306 WeakPolarHBondContact CB-OG1 3.49Å; V235-T306 HydrophobicContact CG2-CG2 4.03Å; V235-T306 PolarHBondContact N-OG1 3.06Å; L247-T306 HydrophobicContact CB-CG2 4.04Å; L247-T306 WeakPolarHBondContact O-CA 3.37Å; L247-T306 VanDerWaalsContact O-CB 3.28Å; L247-T306 WeakPolarHBondContact O-CB 3.43Å; L247-T306 WeakPolarHBondContact O-CG2 3.4Å; L247-T306 PolarHBondContact O-OG1 2.97Å; K248-T306 CarbonylContact O-C 3.54Å; K248-T306 WeakPolarHBondContact O-CA 3.45Å; T250-T306 HydrophobicContact CG2-CG2 4.18Å; L289-T306 WeakPolarHBondContact CA-O 3.23Å; I290-T306 PolarHBondContact N-O 3.17Å; I290-T306 PolarHBondContact O-N 3.37Å; T306-I308 HydrophobicContact CG2-CG1 4.07Å |
| 307 | V | 98.3 | Very high | 93.5 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.8 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | K248 T249 T250 V288 L289 K309 | K248-V307 PolarHBondContact O-N 2.67Å; T249-V307 VanDerWaalsContact CA-O 3.32Å; T249-V307 WeakPolarHBondContact CA-O 2.95Å; T250-V307 PolarHBondContact N-O 3.11Å; V288-V307 CarbonylContact O-C 3.59Å; V288-V307 WeakPolarHBondContact O-CA 3.31Å; L289-V307 HydrophobicContact CD1-CG2 4.1Å; V307-K309 HydrophobicContact CG1-CD 4.38Å; V307-K309 HydrophobicContact CG1-CG 4.15Å |
| 308 | I | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.6 | 178.7 | -50.4 | 165.8 | 0 | 0 | 0 | 107.8 | T250 L255 A276 I280 S287 V288 I290 T306 | T250-I308 HydrophobicContact CG2-CG1 3.96Å; L255-I308 HydrophobicContact CD1-CB 4.34Å; L255-I308 HydrophobicContact CD1-CD1 3.69Å; L255-I308 HydrophobicContact CD1-CG1 3.93Å; L255-I308 HydrophobicContact CD1-CG2 3.48Å; L255-I308 VanDerWaalsContact CD1-CG2 3.48Å; A276-I308 HydrophobicContact CB-CD1 3.49Å; A276-I308 VanDerWaalsContact CB-CD1 3.49Å; I280-I308 HydrophobicContact CG1-CG2 4.32Å; S287-I308 WeakPolarHBondContact CA-O 3.31Å; V288-I308 HydrophobicContact CB-CB 4.14Å; V288-I308 HydrophobicContact CB-CD1 4.36Å; V288-I308 PolarHBondContact N-O 3.19Å; V288-I308 PolarHBondContact O-N 2.85Å; I290-I308 HydrophobicContact CD1-CD1 3.83Å; I290-I308 HydrophobicContact CG1-CD1 4.29Å; T306-I308 HydrophobicContact CG2-CG1 4.07Å |
| 309 | K | 97.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 176.1 | 175.8 | -64 | -179.7 | -178.4 | 177.9 | 0 | 109.1 | T250 N251 V307 | T250-K309 PolarHBondContact O-N 2.74Å; N251-K309 VanDerWaalsContact CA-O 3.32Å; N251-K309 WeakPolarHBondContact CA-O 3.23Å; V307-K309 HydrophobicContact CG1-CD 4.38Å; V307-K309 HydrophobicContact CG1-CG 4.15Å |
| 310 | K | 93.8 | Very high | 94.3 | Very high | 169 Ų | 169 | 63 Ų | 63 | 74% | 0.735 | 33% | 0.326 | S | S | * | . | trans | -57.1 | 0 | 173.4 | -168.9 | 172.5 | -170.9 | 170.3 | 0 | 111.8 | I280 P284 | I280-K310 HydrophobicContact CG2-CB 4.01Å; I280-K310 HydrophobicContact CG2-CG 4.47Å; P284-K310 HydrophobicContact CB-CD 3.66Å |
Retrieved 310 of 310 residues in 971.9 ms
(Link to these results)