| 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 | 76.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 40 Ų | 40 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | 0 | -77.1 | 0 | -64.9 | -169.5 | -72.9 | 0 | 0 | 114 | A3 I4 A5 L109 V168 E170 V206 M208 | M1-A3 PolarHBondContact O-N 2.85Å; M1-I4 PolarHBondContact O-N 3Å; M1-I4 VanDerWaalsContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.07Å; M1-L109 HydrophobicContact CB-CD1 4.33Å; M1-L109 HydrophobicContact CG-CD1 4.06Å; M1-V168 HydrophobicContact CB-CG1 4.17Å; M1-E170 HydrophobicContact CG-CB 3.88Å; M1-E170 WeakPolarHBondContact CG-OE2 3.41Å; M1-E170 HydrophobicContact SD-CB 3.57Å; M1-E170 VanDerWaalsContact SD-CB 3.57Å; M1-V206 HydrophobicContact CE-CB 4.08Å; M1-V206 HydrophobicContact CE-CG1 3.37Å; M1-V206 HydrophobicContact SD-CB 4.06Å; M1-V206 HydrophobicContact SD-CG1 4.02Å; M1-M208 HydrophobicContact CB-CE 4.42Å; M1-M208 HydrophobicContact CB-SD 4.39Å; M1-M208 HydrophobicContact CE-CB 4.01Å; M1-M208 HydrophobicContact CE-CE 4.02Å; M1-M208 HydrophobicContact SD-CB 4.47Å | |||
| 2 | F | 82.5 | Confident | 83.1 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.5 | -54.8 | -171.8 | -176.4 | -108.3 | 0 | 0 | 0 | 114.4 | I4 A5 T6 V22 L25 M208 I210 T214 I216 | F2-I4 PolarHBondContact O-N 2.74Å; F2-A5 WeakPolarHBondContact O-CB 3.38Å; F2-A5 PolarHBondContact O-N 3.22Å; F2-T6 HydrophobicContact CD1-CG2 4.26Å; F2-T6 HydrophobicContact CD2-CG2 4.24Å; F2-T6 HydrophobicContact CE1-CG2 3.85Å; F2-T6 HydrophobicContact CE2-CG2 3.81Å; F2-T6 HydrophobicContact CG-CG2 4.45Å; F2-T6 HydrophobicContact CZ-CG2 3.6Å; F2-T6 PolarHBondContact O-N 3.37Å; F2-T6 PolarHBondContact O-OG1 3Å; F2-V22 HydrophobicContact CE1-CB 4.23Å; F2-V22 HydrophobicContact CE1-CG1 4.01Å; F2-L25 HydrophobicContact CD1-CD2 4.16Å; F2-L25 HydrophobicContact CD1-CG 3.96Å; F2-L25 HydrophobicContact CD2-CD2 3.68Å; F2-L25 HydrophobicContact CD2-CG 4.02Å; F2-L25 HydrophobicContact CE1-CD2 3.9Å; F2-L25 HydrophobicContact CE1-CG 4.1Å; F2-L25 HydrophobicContact CE2-CD2 3.4Å; F2-L25 VanDerWaalsContact CE2-CD2 3.4Å; F2-L25 HydrophobicContact CE2-CG 4.18Å; F2-L25 HydrophobicContact CG-CD2 4.06Å; F2-L25 HydrophobicContact CG-CG 3.91Å; F2-L25 HydrophobicContact CZ-CD2 3.52Å; F2-L25 HydrophobicContact CZ-CG 4.22Å; F2-M208 HydrophobicContact CB-SD 3.68Å; F2-I210 HydrophobicContact CD2-CD1 3.75Å; F2-I210 HydrophobicContact CD2-CG1 4.27Å; F2-I210 HydrophobicContact CE2-CD1 3.86Å; F2-I210 HydrophobicContact CE2-CG1 4.4Å; F2-T214 HydrophobicContact CE2-CG2 4.44Å; F2-T214 HydrophobicContact CZ-CG2 4.24Å; F2-I216 HydrophobicContact CE2-CG2 4.4Å; F2-I216 HydrophobicContact CZ-CG2 4.44Å |
| 3 | A | 82.6 | Confident | 83.1 | Confident | 41 Ų | 41 | 46.5 Ų | 46.5 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.2 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 T6 K7 S23 | M1-A3 PolarHBondContact O-N 2.85Å; A3-T6 PolarHBondContact O-OG1 2.84Å; A3-T6 VanDerWaalsContact O-OG1 3.06Å; A3-K7 VanDerWaalsContact O-CB 3.23Å; A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.5Å; A3-S23 WeakPolarHBondContact CB-O 3.34Å |
| 4 | I | 78.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 45 Ų | 45 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -44.3 | 178.5 | -57.2 | 172.9 | 0 | 0 | 0 | 109.4 | M1 F2 T6 K7 N8 L109 | M1-I4 PolarHBondContact O-N 3Å; M1-I4 VanDerWaalsContact O-N 3.12Å; F2-I4 PolarHBondContact O-N 2.74Å; I4-T6 PolarHBondContact O-N 3.39Å; I4-K7 PolarHBondContact O-N 3.04Å; I4-N8 WeakPolarHBondContact O-CB 3.49Å; I4-N8 VanDerWaalsContact O-CG 3.26Å; I4-N8 PolarHBondContact O-N 3Å; I4-L109 HydrophobicContact CB-CD2 3.79Å; I4-L109 HydrophobicContact CG2-CD2 3.48Å; I4-L109 VanDerWaalsContact CG2-CD2 3.48Å |
| 5 | A | 83.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 F2 N8 F9 S111 F113 V168 | M1-A5 PolarHBondContact O-N 3.07Å; F2-A5 WeakPolarHBondContact O-CB 3.38Å; F2-A5 PolarHBondContact O-N 3.22Å; A5-N8 PolarHBondContact O-N 3.47Å; A5-F9 WeakPolarHBondContact O-CB 3.31Å; A5-F9 PolarHBondContact O-N 2.61Å; A5-S111 VanDerWaalsContact CB-OG 3.23Å; A5-S111 WeakPolarHBondContact CB-OG 3.49Å; A5-F113 HydrophobicContact CB-CE1 4.43Å; A5-F113 HydrophobicContact CB-CE2 4.25Å; A5-F113 HydrophobicContact CB-CZ 3.58Å; A5-V168 HydrophobicContact CB-CG1 4.01Å; A5-V168 HydrophobicContact CB-CG2 3.7Å |
| 6 | T | 88.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | F2 A3 I4 F9 V10 V22 F113 I216 | F2-T6 HydrophobicContact CD1-CG2 4.26Å; F2-T6 HydrophobicContact CD2-CG2 4.24Å; F2-T6 HydrophobicContact CE1-CG2 3.85Å; F2-T6 HydrophobicContact CE2-CG2 3.81Å; F2-T6 HydrophobicContact CG-CG2 4.45Å; F2-T6 HydrophobicContact CZ-CG2 3.6Å; F2-T6 PolarHBondContact O-N 3.37Å; F2-T6 PolarHBondContact O-OG1 3Å; A3-T6 PolarHBondContact O-OG1 2.84Å; A3-T6 VanDerWaalsContact O-OG1 3.06Å; I4-T6 PolarHBondContact O-N 3.39Å; T6-F9 PolarHBondContact O-N 3.22Å; T6-V10 WeakPolarHBondContact O-CG2 3.3Å; T6-V10 PolarHBondContact O-N 2.93Å; T6-V22 WeakPolarHBondContact CB-O 3.27Å; T6-V22 PolarHBondContact OG1-O 3.03Å; T6-F113 HydrophobicContact CG2-CZ 4.13Å; T6-I216 WeakPolarHBondContact CB-O 3.46Å; T6-I216 HydrophobicContact CG2-CB 4.02Å; T6-I216 HydrophobicContact CG2-CG2 4.44Å; T6-I216 WeakPolarHBondContact CG2-O 3.39Å |
| 7 | K | 84.3 | Confident | 80.6 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 172.8 | -177.5 | -176.6 | 177.4 | -173.4 | 0 | 111.3 | A3 I4 V10 K11 D368 | A3-K7 VanDerWaalsContact O-CB 3.23Å; A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.5Å; I4-K7 PolarHBondContact O-N 3.04Å; K7-V10 PolarHBondContact O-N 3.2Å; K7-K11 WeakPolarHBondContact O-CB 3.33Å; K7-K11 PolarHBondContact O-N 3.31Å; K7-D368 VanDerWaalsContact NZ-CG 3.31Å; K7-D368 IonicContact NZ-OD1 3.06Å; K7-D368 PolarHBondContact NZ-OD1 2.95Å; K7-D368 IonicContact NZ-OD2 3.37Å; K7-D368 PolarHBondContact NZ-OD2 2.96Å |
| 8 | N | 80.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 178.1 | -72.4 | -9.9 | 0 | 0 | 0 | 111.5 | I4 A5 V10 K11 E12 | I4-N8 WeakPolarHBondContact O-CB 3.49Å; I4-N8 VanDerWaalsContact O-CG 3.26Å; I4-N8 PolarHBondContact O-N 3Å; A5-N8 PolarHBondContact O-N 3.47Å; N8-V10 PolarHBondContact O-N 3.31Å; N8-K11 WeakPolarHBondContact O-CB 3.49Å; N8-K11 PolarHBondContact O-N 3.45Å; N8-E12 PolarHBondContact O-N 3.44Å; N8-E12 VanDerWaalsContact O-N 3.12Å |
| 9 | F | 87.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.4 | -53.8 | 174.3 | 166.4 | -98.3 | 0 | 0 | 0 | 112 | A5 T6 K11 E12 V13 F75 I76 Y78 F113 L116 I160 I216 A217 | A5-F9 WeakPolarHBondContact O-CB 3.31Å; A5-F9 PolarHBondContact O-N 2.61Å; T6-F9 PolarHBondContact O-N 3.22Å; F9-K11 VanDerWaalsContact C-N 3.29Å; F9-K11 PolarHBondContact O-N 3.43Å; F9-E12 PolarHBondContact O-N 2.85Å; F9-E12 VanDerWaalsContact O-N 3.14Å; F9-V13 HydrophobicContact CD1-CG2 4.2Å; F9-V13 HydrophobicContact CD2-CG1 3.92Å; F9-V13 HydrophobicContact CD2-CG2 4.46Å; F9-V13 HydrophobicContact CE1-CG2 3.81Å; F9-V13 HydrophobicContact CE2-CB 4.49Å; F9-V13 HydrophobicContact CE2-CG1 3.72Å; F9-V13 HydrophobicContact CE2-CG2 4.12Å; F9-V13 HydrophobicContact CG-CG2 4.5Å; F9-V13 HydrophobicContact CZ-CG1 4.22Å; F9-V13 HydrophobicContact CZ-CG2 3.77Å; F9-V13 WeakPolarHBondContact O-CG1 3.44Å; F9-V13 VanDerWaalsContact O-CG2 3.28Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.81Å; F9-F75 HydrophobicContact CZ-CD1 4.49Å; F9-F75 HydrophobicContact CZ-CE1 4.01Å; F9-I76 HydrophobicContact CE2-CD1 3.97Å; F9-I76 HydrophobicContact CE2-CG1 4.46Å; F9-Y78 HydrophobicContact CB-CE1 4.31Å; F9-Y78 HydrophobicContact CB-CE2 4.41Å; F9-Y78 HydrophobicContact CD2-CD1 4.04Å; F9-Y78 AromaticContact CD2-CD2 3.58Å; F9-Y78 HydrophobicContact CD2-CD2 3.58Å; F9-Y78 HydrophobicContact CD2-CE1 4.31Å; F9-Y78 AromaticContact CD2-CE2 3.86Å; F9-Y78 HydrophobicContact CD2-CE2 3.86Å; F9-Y78 AromaticContact CD2-CG 3.64Å; F9-Y78 HydrophobicContact CD2-CG 3.64Å; F9-Y78 HydrophobicContact CE2-CD2 4.12Å; F9-Y78 HydrophobicContact CE2-CG 4.13Å; F9-F113 HydrophobicContact CB-CD2 4.26Å; F9-F113 HydrophobicContact CB-CE2 3.8Å; F9-F113 HydrophobicContact CD2-CD2 4.2Å; F9-F113 HydrophobicContact CG-CD2 4.34Å; F9-F113 HydrophobicContact CG-CE2 4.29Å; F9-L116 HydrophobicContact CD2-CD1 4.28Å; F9-L116 HydrophobicContact CE2-CD1 3.31Å; F9-L116 HydrophobicContact CZ-CD1 3.54Å; F9-I160 HydrophobicContact CE1-CG2 4.28Å; F9-I160 HydrophobicContact CZ-CG2 4.02Å; F9-I216 HydrophobicContact CD1-CD1 3.81Å; F9-I216 HydrophobicContact CD1-CG1 4.37Å; F9-I216 HydrophobicContact CD2-CD1 4.26Å; F9-I216 HydrophobicContact CE1-CD1 3.58Å; F9-I216 HydrophobicContact CE1-CG1 4.09Å; F9-I216 HydrophobicContact CE2-CD1 4.04Å; F9-I216 HydrophobicContact CG-CD1 4.15Å; F9-I216 HydrophobicContact CZ-CD1 3.7Å; F9-A217 HydrophobicContact CD1-CB 4.46Å; F9-A217 HydrophobicContact CE1-CB 4.16Å |
| 10 | V | 88.2 | Confident | 81.9 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | T6 K7 N8 E12 V13 D14 L19 P21 A217 | T6-V10 WeakPolarHBondContact O-CG2 3.3Å; T6-V10 PolarHBondContact O-N 2.93Å; K7-V10 PolarHBondContact O-N 3.2Å; N8-V10 PolarHBondContact O-N 3.31Å; V10-E12 VanDerWaalsContact C-N 3.25Å; V10-E12 PolarHBondContact O-N 2.71Å; V10-V13 PolarHBondContact O-N 2.84Å; V10-D14 HydrophobicContact CG1-CB 4.4Å; V10-D14 PolarHBondContact O-N 2.9Å; V10-L19 HydrophobicContact CG1-CB 4.1Å; V10-L19 WeakPolarHBondContact CG1-O 3.45Å; V10-L19 HydrophobicContact CG2-CB 4.35Å; V10-P21 HydrophobicContact CB-CB 4.43Å; V10-P21 HydrophobicContact CG2-CB 3.9Å; V10-A217 HydrophobicContact CG2-CB 3.64Å |
| 11 | K | 81.6 | Confident | 82.4 | Confident | 147 Ų | 147 | 57.6 Ų | 57.6 | 64% | 0.639 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.4 | -36.4 | 178.1 | -173.4 | -177.6 | 178.5 | -176 | 0 | 112.5 | K7 N8 F9 | K7-K11 WeakPolarHBondContact O-CB 3.33Å; K7-K11 PolarHBondContact O-N 3.31Å; N8-K11 WeakPolarHBondContact O-CB 3.49Å; N8-K11 PolarHBondContact O-N 3.45Å; F9-K11 VanDerWaalsContact C-N 3.29Å; F9-K11 PolarHBondContact O-N 3.43Å |
| 12 | E | 82.8 | Confident | 83.1 | Confident | 121 Ų | 121 | 55.3 Ų | 55.3 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -82.7 | -35.4 | -179 | -70.3 | -177.9 | -162.8 | 0 | 0 | 113.3 | N8 F9 V10 Y78 | N8-E12 PolarHBondContact O-N 3.44Å; N8-E12 VanDerWaalsContact O-N 3.12Å; F9-E12 PolarHBondContact O-N 2.85Å; F9-E12 VanDerWaalsContact O-N 3.14Å; V10-E12 VanDerWaalsContact C-N 3.25Å; V10-E12 PolarHBondContact O-N 2.71Å; E12-Y78 WeakPolarHBondContact OE2-CE2 3.35Å |
| 13 | V | 84.3 | Confident | 83.2 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -99.5 | -20.7 | -167.9 | -53.1 | 0 | 0 | 0 | 0 | 114.3 | F9 V10 L19 F75 I76 Y78 | F9-V13 HydrophobicContact CD1-CG2 4.2Å; F9-V13 HydrophobicContact CD2-CG1 3.92Å; F9-V13 HydrophobicContact CD2-CG2 4.46Å; F9-V13 HydrophobicContact CE1-CG2 3.81Å; F9-V13 HydrophobicContact CE2-CB 4.49Å; F9-V13 HydrophobicContact CE2-CG1 3.72Å; F9-V13 HydrophobicContact CE2-CG2 4.12Å; F9-V13 HydrophobicContact CG-CG2 4.5Å; F9-V13 HydrophobicContact CZ-CG1 4.22Å; F9-V13 HydrophobicContact CZ-CG2 3.77Å; F9-V13 WeakPolarHBondContact O-CG1 3.44Å; F9-V13 VanDerWaalsContact O-CG2 3.28Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.81Å; V10-V13 PolarHBondContact O-N 2.84Å; V13-L19 HydrophobicContact CG2-CD1 4.5Å; V13-F75 HydrophobicContact CG2-CE1 4.5Å; V13-I76 HydrophobicContact CB-CD1 4.25Å; V13-I76 HydrophobicContact CG1-CD1 3.47Å; V13-I76 VanDerWaalsContact CG1-CD1 3.47Å; V13-Y78 HydrophobicContact CG1-CD2 4.42Å |
| 14 | D | 83.8 | Confident | 83.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | trans | -119.9 | 89.1 | -175.6 | -178.6 | 24.5 | 0 | 0 | 0 | 112.5 | V10 R16 G17 L18 L19 | V10-D14 HydrophobicContact CG1-CB 4.4Å; V10-D14 PolarHBondContact O-N 2.9Å; D14-R16 PolarHBondContact O-N 3.34Å; D14-R16 PolarHBondContact OD1-N 2.82Å; D14-G17 PolarHBondContact O-N 2.87Å; D14-G17 PolarHBondContact OD1-N 2.74Å; D14-G17 WeakPolarHBondContact OD2-CA 3.12Å; D14-G17 PolarHBondContact OD2-N 2.98Å; D14-L18 PolarHBondContact OD2-N 3.31Å; D14-L19 HydrophobicContact CB-CB 4.18Å; D14-L19 HydrophobicContact CB-CD1 4.11Å; D14-L19 HydrophobicContact CB-CG 4.24Å; D14-L19 WeakPolarHBondContact OD2-CB 3.49Å; D14-L19 PolarHBondContact OD2-N 2.88Å | ||
| 15 | N | 64.1 | Low | 83.5 | Confident | 132 Ų | 132 | 58.6 Ų | 58.6 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13 | 174.3 | 66.2 | 9.5 | 0 | 0 | 0 | 113.9 | ||
| 16 | R | 65.5 | Low | 83.4 | Confident | 201 Ų | 201 | 65.7 Ų | 65.7 | 76% | 0.758 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.3 | -179 | -59.1 | -166.6 | 176.6 | -159.5 | -1.3 | 112.7 | D14 L18 | D14-R16 PolarHBondContact O-N 3.34Å; D14-R16 PolarHBondContact OD1-N 2.82Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 HydrophobicContact CB-CD1 4.04Å; R16-L18 HydrophobicContact CB-CG 3.93Å |
| 17 | G | 75.1 | Confident | 83.1 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 65.6 | 34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D14 | D14-G17 PolarHBondContact O-N 2.87Å; D14-G17 PolarHBondContact OD1-N 2.74Å; D14-G17 WeakPolarHBondContact OD2-CA 3.12Å; D14-G17 PolarHBondContact OD2-N 2.98Å |
| 18 | L | 84.4 | Confident | 82.8 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | trans | -94.2 | -29.1 | 178 | -61.6 | 177.9 | 0 | 0 | 0 | 112.6 | D14 R16 | D14-L18 PolarHBondContact OD2-N 3.31Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 HydrophobicContact CB-CD1 4.04Å; R16-L18 HydrophobicContact CB-CG 3.93Å | ||
| 19 | L | 92 | Very high | 83.3 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | trans | -81.1 | 139.2 | 176.1 | -65.5 | -176.2 | 0 | 0 | 0 | 110.4 | V10 V13 D14 E158 I160 A217 | V10-L19 HydrophobicContact CG1-CB 4.1Å; V10-L19 WeakPolarHBondContact CG1-O 3.45Å; V10-L19 HydrophobicContact CG2-CB 4.35Å; V13-L19 HydrophobicContact CG2-CD1 4.5Å; D14-L19 HydrophobicContact CB-CB 4.18Å; D14-L19 HydrophobicContact CB-CD1 4.11Å; D14-L19 HydrophobicContact CB-CG 4.24Å; D14-L19 WeakPolarHBondContact OD2-CB 3.49Å; D14-L19 PolarHBondContact OD2-N 2.88Å; L19-E158 HydrophobicContact CD2-CG 4.39Å; L19-I160 HydrophobicContact CD1-CG1 4.11Å; L19-A217 HydrophobicContact CB-CB 4.42Å | ||
| 20 | I | 92.6 | Very high | 83.5 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.6 | 177.8 | -57.4 | 159.3 | 0 | 0 | 0 | 106.8 | Y49 A217 Y218 I220 | I20-Y49 HydrophobicContact CB-CD2 4.46Å; I20-Y49 HydrophobicContact CD1-CD1 3.84Å; I20-Y49 HydrophobicContact CD1-CD2 3.71Å; I20-Y49 HydrophobicContact CD1-CE1 3.73Å; I20-Y49 HydrophobicContact CD1-CE2 3.55Å; I20-Y49 HydrophobicContact CD1-CG 3.83Å; I20-Y49 HydrophobicContact CG1-CD2 3.98Å; I20-Y49 HydrophobicContact CG1-CE2 3.7Å; I20-Y49 HydrophobicContact CG2-CD2 3.62Å; I20-Y49 HydrophobicContact CG2-CE2 4.12Å; I20-Y49 HydrophobicContact CG2-CG 4.25Å; I20-A217 CarbonylContact O-C 3.51Å; I20-A217 VanDerWaalsContact O-CA 3.25Å; I20-A217 WeakPolarHBondContact O-CA 3.48Å; I20-Y218 HydrophobicContact CB-CD1 4.25Å; I20-Y218 HydrophobicContact CB-CD2 4.45Å; I20-Y218 HydrophobicContact CB-CE1 3.84Å; I20-Y218 HydrophobicContact CB-CE2 4.08Å; I20-Y218 HydrophobicContact CD1-CD2 4.33Å; I20-Y218 HydrophobicContact CD1-CE2 3.77Å; I20-Y218 HydrophobicContact CG2-CE1 3.67Å; I20-Y218 HydrophobicContact CG2-CE2 4.26Å; I20-Y218 WeakPolarHBondContact CG2-OH 3.39Å; I20-Y218 PolarHBondContact N-O 2.78Å; I20-Y218 VanDerWaalsContact O-CD1 3.32Å; I20-Y218 WeakPolarHBondContact O-CD1 3.39Å; I20-Y218 PolarHBondContact O-N 3.32Å; I20-I220 HydrophobicContact CD1-CD1 4.09Å; I20-I220 HydrophobicContact CD1-CG1 3.98Å; I20-I220 HydrophobicContact CD1-CG2 4.1Å |
| 21 | P | 91.8 | Very high | 83.8 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 140.4 | 178.2 | 28.8 | -34.1 | 0 | 0 | 0 | 110.7 | V10 | V10-P21 HydrophobicContact CB-CB 4.43Å; V10-P21 HydrophobicContact CG2-CB 3.9Å |
| 22 | V | 91.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | trans | -76.4 | 130.2 | 172 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | F2 T6 S24 D27 M29 T215 I216 Y218 | F2-V22 HydrophobicContact CE1-CB 4.23Å; F2-V22 HydrophobicContact CE1-CG1 4.01Å; T6-V22 WeakPolarHBondContact CB-O 3.27Å; T6-V22 PolarHBondContact OG1-O 3.03Å; V22-S24 WeakPolarHBondContact CG1-O 3.32Å; V22-D27 HydrophobicContact CG1-CB 4.21Å; V22-M29 HydrophobicContact CG1-CE 4.44Å; V22-M29 HydrophobicContact CG2-CE 4.34Å; V22-M29 HydrophobicContact CG2-CG 4.07Å; V22-T215 HydrophobicContact CG2-CG2 3.87Å; V22-T215 WeakPolarHBondContact CG2-O 3.42Å; V22-I216 PolarHBondContact N-O 3.15Å; V22-Y218 HydrophobicContact CG2-CD1 3.76Å; V22-Y218 HydrophobicContact CG2-CE1 4.22Å | ||
| 23 | S | 84.7 | Confident | 85.1 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | trans | -92.2 | -31.1 | -175.5 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | A3 | A3-S23 WeakPolarHBondContact CB-O 3.34Š| ||
| 24 | S | 84.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -127.9 | 142.1 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | V22 N26 D27 | V22-S24 WeakPolarHBondContact CG1-O 3.32Å; S24-N26 PolarHBondContact O-N 2.93Å; S24-N26 PolarHBondContact OG-N 3.03Å; S24-D27 WeakPolarHBondContact CB-OD2 3.41Å; S24-D27 PolarHBondContact N-OD2 3.37Å; S24-D27 PolarHBondContact O-N 2.8Å | ||
| 25 | L | 82.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | 171.7 | -73.5 | 170.2 | 0 | 0 | 0 | 112.8 | F2 D27 M208 I210 T214 | F2-L25 HydrophobicContact CD1-CD2 4.16Å; F2-L25 HydrophobicContact CD1-CG 3.96Å; F2-L25 HydrophobicContact CD2-CD2 3.68Å; F2-L25 HydrophobicContact CD2-CG 4.02Å; F2-L25 HydrophobicContact CE1-CD2 3.9Å; F2-L25 HydrophobicContact CE1-CG 4.1Å; F2-L25 HydrophobicContact CE2-CD2 3.4Å; F2-L25 VanDerWaalsContact CE2-CD2 3.4Å; F2-L25 HydrophobicContact CE2-CG 4.18Å; F2-L25 HydrophobicContact CG-CD2 4.06Å; F2-L25 HydrophobicContact CG-CG 3.91Å; F2-L25 HydrophobicContact CZ-CD2 3.52Å; F2-L25 HydrophobicContact CZ-CG 4.22Å; L25-D27 VanDerWaalsContact C-N 3.33Å; L25-M208 HydrophobicContact CD1-SD 4.12Å; L25-I210 HydrophobicContact CD2-CG2 4.4Å; L25-T214 HydrophobicContact CD2-CG2 3.62Å |
| 26 | N | 82.1 | Confident | 87.5 | Confident | 150 Ų | 150 | 50.6 Ų | 50.6 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.8 | 178.3 | -63 | -23.5 | 0 | 0 | 0 | 112.7 | S24 N28 | S24-N26 PolarHBondContact O-N 2.93Å; S24-N26 PolarHBondContact OG-N 3.03Å; N26-N28 PolarHBondContact O-N 3.22Å |
| 27 | D | 81.4 | Confident | 88.7 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | trans | -74 | 113.6 | -177.1 | -61.5 | -22 | 0 | 0 | 0 | 109.6 | V22 S24 L25 M29 | V22-D27 HydrophobicContact CG1-CB 4.21Å; S24-D27 WeakPolarHBondContact CB-OD2 3.41Å; S24-D27 PolarHBondContact N-OD2 3.37Å; S24-D27 PolarHBondContact O-N 2.8Å; L25-D27 VanDerWaalsContact C-N 3.33Å; D27-M29 HydrophobicContact CB-CE 3.87Å; D27-M29 HydrophobicContact CB-CG 4.38Å; D27-M29 PolarHBondContact O-N 3.46Å; D27-M29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | N | 77.5 | Confident | 89.2 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | trans | -80.9 | 98 | 178.4 | -170.8 | 25.8 | 0 | 0 | 0 | 111.5 | N26 E30 T33 | N26-N28 PolarHBondContact O-N 3.22Å; N28-E30 PolarHBondContact O-N 3.25Å; N28-E30 WeakPolarHBondContact OD1-CG 3.31Å; N28-T33 PolarHBondContact O-OG1 2.87Å | ||
| 29 | M | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -100.9 | 61.4 | -177.1 | -59.5 | -69.4 | -163.2 | 0 | 0 | 111.5 | V22 D27 P51 R159 T215 Y218 | V22-M29 HydrophobicContact CG1-CE 4.44Å; V22-M29 HydrophobicContact CG2-CE 4.34Å; V22-M29 HydrophobicContact CG2-CG 4.07Å; D27-M29 HydrophobicContact CB-CE 3.87Å; D27-M29 HydrophobicContact CB-CG 4.38Å; D27-M29 PolarHBondContact O-N 3.46Å; D27-M29 VanDerWaalsContact O-N 3.16Å; M29-P51 HydrophobicContact CE-CB 3.96Å; M29-P51 HydrophobicContact CE-CG 3.14Å; M29-P51 HydrophobicContact SD-CB 4.03Å; M29-P51 HydrophobicContact SD-CG 3.84Å; M29-R159 WeakPolarHBondContact O-CD 3.38Å; M29-R159 PolarHBondContact O-NH1 2.97Å; M29-R159 VanDerWaalsContact O-NH1 3.17Å; M29-T215 HydrophobicContact CB-CG2 3.78Å; M29-T215 HydrophobicContact CG-CG2 4.42Å; M29-Y218 HydrophobicContact CE-CD1 3.79Å; M29-Y218 HydrophobicContact CE-CE1 3.27Å; M29-Y218 HydrophobicContact CE-CE2 4.41Å; M29-Y218 HydrophobicContact CG-CD1 4.28Å; M29-Y218 HydrophobicContact SD-CD1 4.02Å; M29-Y218 HydrophobicContact SD-CD2 4.41Å; M29-Y218 HydrophobicContact SD-CE1 3.98Å; M29-Y218 HydrophobicContact SD-CE2 4.35Å; M29-Y218 HydrophobicContact SD-CG 4.24Å | ||
| 30 | E | 92.4 | Very high | 87.9 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | -74.6 | 162.2 | 170.3 | -70.6 | -61.1 | 138.2 | 0 | 0 | 111.5 | N28 T33 V156 R159 | N28-E30 PolarHBondContact O-N 3.25Å; N28-E30 WeakPolarHBondContact OD1-CG 3.31Å; E30-T33 PolarHBondContact N-OG1 3.32Å; E30-T33 WeakPolarHBondContact O-CB 3.31Å; E30-T33 PolarHBondContact O-N 2.97Å; E30-T33 PolarHBondContact O-OG1 3.1Å; E30-T33 VanDerWaalsContact O-OG1 3.09Å; E30-V156 VanDerWaalsContact O-CB 3.31Å; E30-V156 WeakPolarHBondContact O-CB 3.22Å; E30-R159 VanDerWaalsContact CD-NH2 3.31Å; E30-R159 IonicContact OE1-CZ 2.54Å; E30-R159 IonicContact OE1-NH1 3.37Å; E30-R159 PolarHBondContact OE1-NH1 3.09Å; E30-R159 IonicContact OE1-NH2 2.68Å; E30-R159 PolarHBondContact OE1-NH2 3Å; E30-R159 IonicContact OE2-CZ 3.19Å; E30-R159 IonicContact OE2-NH1 2.78Å; E30-R159 PolarHBondContact OE2-NH1 3.42Å; E30-R159 IonicContact OE2-NH2 2.72Å; E30-R159 PolarHBondContact OE2-NH2 2.7Å | ||
| 31 | L | 94.8 | Very high | 87.1 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 141.9 | 172.5 | -68.1 | 174.7 | 0 | 0 | 0 | 109.7 | T33 P68 V70 A121 V156 K157 | L31-T33 PolarHBondContact O-N 3.21Å; L31-P68 HydrophobicContact CB-CG 4.26Å; L31-V70 HydrophobicContact CD1-CB 4.12Å; L31-V70 HydrophobicContact CD1-CG1 3.72Å; L31-V70 HydrophobicContact CD1-CG2 3.45Å; L31-V70 VanDerWaalsContact CD1-CG2 3.45Å; L31-A121 HydrophobicContact CD1-CB 4.37Å; L31-A121 HydrophobicContact CD2-CB 4.38Å; L31-V156 HydrophobicContact CD2-CG1 4.33Å; L31-K157 WeakPolarHBondContact CD2-O 3.36Å |
| 32 | L | 95.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 3.1 | -173.1 | -45.4 | -178.5 | 0 | 0 | 0 | 115.7 | V34 T55 L56 I66 P68 L126 I155 V156 | L32-V34 PolarHBondContact O-N 2.83Å; L32-T55 CarbonylContact O-C 3.58Å; L32-T55 WeakPolarHBondContact O-CA 3.21Å; L32-L56 HydrophobicContact CB-CB 4.24Å; L32-L56 PolarHBondContact O-N 2.84Å; L32-I66 HydrophobicContact CD1-CG2 4.28Å; L32-P68 HydrophobicContact CD1-CB 4.01Å; L32-P68 HydrophobicContact CD1-CG 3.81Å; L32-P68 HydrophobicContact CD2-CB 4.41Å; L32-P68 HydrophobicContact CG-CB 4.09Å; L32-P68 HydrophobicContact CG-CG 3.99Å; L32-L126 HydrophobicContact CD2-CD1 3.8Å; L32-L126 HydrophobicContact CD2-CD2 3.74Å; L32-L126 HydrophobicContact CD2-CG 4.44Å; L32-I155 HydrophobicContact CD2-CD1 4Å; L32-V156 PolarHBondContact N-O 3.25Å |
| 33 | T | 96.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 133 | 167.2 | -67.9 | 0 | 0 | 0 | 0 | 109.4 | N28 E30 L31 I155 V156 | N28-T33 PolarHBondContact O-OG1 2.87Å; E30-T33 PolarHBondContact N-OG1 3.32Å; E30-T33 WeakPolarHBondContact O-CB 3.31Å; E30-T33 PolarHBondContact O-N 2.97Å; E30-T33 PolarHBondContact O-OG1 3.1Å; E30-T33 VanDerWaalsContact O-OG1 3.09Å; L31-T33 PolarHBondContact O-N 3.21Å; T33-I155 CarbonylContact O-C 3.55Å; T33-I155 VanDerWaalsContact O-CA 3.3Å; T33-I155 WeakPolarHBondContact O-CA 3.29Å; T33-V156 PolarHBondContact O-N 3.1Å |
| 34 | V | 96.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.7 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | L32 T52 F54 L59 L141 F153 A154 I155 | L32-V34 PolarHBondContact O-N 2.83Å; V34-T52 WeakPolarHBondContact O-CB 3.23Å; V34-T52 PolarHBondContact O-N 2.86Å; V34-T52 PolarHBondContact O-OG1 2.78Å; V34-F54 WeakPolarHBondContact CB-O 2.82Å; V34-F54 PolarHBondContact N-O 3.09Å; V34-L59 HydrophobicContact CB-CD1 4.39Å; V34-L59 HydrophobicContact CG1-CD1 4.09Å; V34-L59 HydrophobicContact CG2-CD1 3.69Å; V34-L59 HydrophobicContact CG2-CG 4.3Å; V34-L141 HydrophobicContact CG1-CD2 4.31Å; V34-F153 HydrophobicContact CG1-CD1 3.46Å; V34-F153 VanDerWaalsContact CG1-CD1 3.46Å; V34-F153 HydrophobicContact CG1-CE1 3.82Å; V34-F153 HydrophobicContact CG1-CG 4.34Å; V34-A154 WeakPolarHBondContact CA-O 3.49Å; V34-I155 HydrophobicContact CG2-CG2 4.25Å |
| 35 | V | 94.5 | Very high | 86 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.1 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | Y49 A154 V156 Y218 I220 | V35-Y49 HydrophobicContact CG1-CD1 4.22Å; V35-A154 PolarHBondContact N-O 2.97Å; V35-A154 PolarHBondContact O-N 3.32Å; V35-V156 HydrophobicContact CG2-CG2 3.86Å; V35-Y218 HydrophobicContact CG2-CE2 4.26Å; V35-I220 HydrophobicContact CG2-CG2 4.32Å |
| 36 | V | 92.1 | Very high | 85.8 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.5 | 171.7 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | H38 L50 T52 T145 N151 F153 | V36-H38 PolarHBondContact O-ND1 3.46Å; V36-L50 HydrophobicContact CB-CB 4.45Å; V36-L50 PolarHBondContact N-O 2.77Å; V36-L50 PolarHBondContact O-N 3.02Å; V36-T52 HydrophobicContact CG2-CG2 3.85Å; V36-T145 HydrophobicContact CG1-CG2 4.23Å; V36-N151 HydrophobicContact CG1-CB 3.85Å; V36-F153 HydrophobicContact CG2-CD1 4Å; V36-F153 HydrophobicContact CG2-CE1 3.73Å |
| 37 | K | 90.5 | Very high | 85.9 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.2 | 170.3 | -179 | -174.9 | -172.6 | -173.9 | 0 | 109.3 | P47 Y49 V152 E222 | K37-P47 HydrophobicContact CD-CB 4.37Å; K37-P47 VanDerWaalsContact CE-CB 3.45Å; K37-P47 HydrophobicContact CG-CB 4.01Å; K37-Y49 HydrophobicContact CB-CD1 4Å; K37-Y49 HydrophobicContact CB-CE1 3.99Å; K37-Y49 HydrophobicContact CD-CE1 3.83Å; K37-Y49 HydrophobicContact CG-CD1 4Å; K37-Y49 HydrophobicContact CG-CE1 3.58Å; K37-V152 HydrophobicContact CB-CB 4.38Å; K37-V152 PolarHBondContact N-O 3.4Å; K37-V152 PolarHBondContact O-N 3.13Å; K37-E222 VanDerWaalsContact CD-OE1 3.26Å; K37-E222 WeakPolarHBondContact CD-OE1 3.46Å; K37-E222 WeakPolarHBondContact CE-OE1 3.42Å; K37-E222 IonicContact NZ-OE1 3.62Å; K37-E222 PolarHBondContact NZ-OE1 2.95Å |
| 38 | H | 83.9 | Confident | 86 | Confident | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.3 | 171.6 | -66.6 | 63.4 | 0 | 0 | 0 | 108.4 | V36 K48 L50 N151 | V36-H38 PolarHBondContact O-ND1 3.46Å; H38-K48 HydrophobicContact CB-CB 4.42Å; H38-K48 PolarHBondContact N-O 3.38Å; H38-L50 WeakPolarHBondContact CE1-CD1 3.46Å; H38-N151 PolarHBondContact CD2-OD1 3.21Å; H38-N151 PolarHBondContact NE2-ND2 3.17Å; H38-N151 PolarHBondContact NE2-OD1 2.67Å |
| 39 | K | 74.3 | Confident | 86.5 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 44% | 0.435 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 141.6 | 173.4 | -73.9 | 180 | -176.7 | 173.9 | 0 | 108.7 | S41 K150 V152 | K39-S41 PolarHBondContact O-N 2.86Å; K39-K150 WeakPolarHBondContact CA-O 2.91Å; K39-K150 HydrophobicContact CB-CB 4.2Å; K39-K150 WeakPolarHBondContact CB-O 3.27Å; K39-K150 WeakPolarHBondContact CG-O 3.39Å; K39-K150 PolarHBondContact N-O 3.46Å; K39-V152 HydrophobicContact CD-CG2 4.38Å; K39-V152 VanDerWaalsContact CE-CG2 3.42Å; K39-V152 HydrophobicContact CG-CG2 4.16Å |
| 40 | R | 75.3 | Confident | 86.3 | Confident | 119 Ų | 119 | 43.3 Ų | 43.3 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 133.3 | -178.8 | -51.3 | 166 | 175.5 | -166.7 | -1.3 | 109.2 | W42 F43 Q45 P47 | R40-W42 VanDerWaalsContact C-N 3.28Å; R40-W42 WeakPolarHBondContact CB-O 3.47Å; R40-F43 PolarHBondContact NH1-O 3.37Å; R40-Q45 HydrophobicContact CB-CB 4.31Å; R40-Q45 WeakPolarHBondContact CD-O 3.41Å; R40-Q45 VanDerWaalsContact CG-O 3.27Å; R40-Q45 WeakPolarHBondContact CG-O 3.33Å; R40-Q45 VanDerWaalsContact CZ-O 3.25Å; R40-Q45 PolarHBondContact NE-O 2.94Å; R40-P47 HydrophobicContact CG-CG 4.13Å |
| 41 | S | 76.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -69 | -35.7 | 169.9 | -71.6 | 0 | 0 | 0 | 0 | 110.1 | K39 H357 | K39-S41 PolarHBondContact O-N 2.86Å; S41-H357 VanDerWaalsContact CB-CE1 3.41Å; S41-H357 WeakPolarHBondContact CB-CE1 3.31Å |
| 42 | W | 84.3 | Confident | 86.1 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -121 | 143.9 | 174.6 | -52.2 | 112.3 | 0 | 0 | 0 | 111.8 | R40 W44 Q45 L269 H272 T354 H357 L358 S361 | R40-W42 VanDerWaalsContact C-N 3.28Å; R40-W42 WeakPolarHBondContact CB-O 3.47Å; W42-W44 HydrophobicContact CB-CD2 3.78Å; W42-W44 VanDerWaalsContact CB-CE2 3.47Å; W42-W44 HydrophobicContact CB-CE3 3.96Å; W42-W44 HydrophobicContact CB-CG 4.5Å; W42-W44 HydrophobicContact CB-CH2 3.58Å; W42-W44 HydrophobicContact CB-CZ2 3.39Å; W42-W44 HydrophobicContact CB-CZ3 3.87Å; W42-W44 AromaticContact CD2-CH2 3.76Å; W42-W44 HydrophobicContact CD2-CH2 3.76Å; W42-W44 AromaticContact CD2-CZ2 3.86Å; W42-W44 HydrophobicContact CD2-CZ2 3.86Å; W42-W44 AromaticContact CE3-CH2 3.67Å; W42-W44 HydrophobicContact CE3-CH2 3.67Å; W42-W44 HydrophobicContact CE3-CZ2 4.26Å; W42-W44 HydrophobicContact CE3-CZ3 4.34Å; W42-W44 AromaticContact CG-CE2 3.97Å; W42-W44 AromaticContact CG-CH2 3.73Å; W42-W44 HydrophobicContact CG-CH2 3.73Å; W42-W44 AromaticContact CG-CZ2 3.46Å; W42-W44 HydrophobicContact CG-CZ2 3.46Å; W42-W44 VanDerWaalsContact CG-CZ2 3.46Å; W42-W44 HydrophobicContact CG-CZ3 4.47Å; W42-W44 PolarHBondContact O-N 2.86Å; W42-Q45 HydrophobicContact CB-CG 4.09Å; W42-Q45 PolarHBondContact O-N 3.24Å; W42-Q45 VanDerWaalsContact O-N 3.07Å; W42-L269 HydrophobicContact CE3-CD2 4.43Å; W42-L269 HydrophobicContact CZ3-CD2 4.18Å; W42-H272 AromaticContact CH2-NE2 3.64Å; W42-T354 HydrophobicContact CH2-CG2 3.76Å; W42-T354 HydrophobicContact CZ2-CG2 4.11Å; W42-H357 AromaticContact CD1-CE1 3.91Å; W42-H357 AromaticContact CD1-ND1 3.99Å; W42-H357 AromaticContact CE2-ND1 3.61Å; W42-H357 AromaticContact CZ2-ND1 3.81Å; W42-H357 AromaticContact NE1-CE1 3.36Å; W42-H357 PolarHBondContact NE1-CE1 2.9Å; W42-H357 AromaticContact NE1-ND1 3.01Å; W42-H357 PolarHBondContact NE1-ND1 3.02Å; W42-L358 HydrophobicContact CD2-CD1 3.75Å; W42-L358 HydrophobicContact CE3-CD1 3.89Å; W42-L358 HydrophobicContact CG-CD1 4.4Å; W42-L358 HydrophobicContact CH2-CB 4.19Å; W42-L358 HydrophobicContact CH2-CD1 3.87Å; W42-L358 HydrophobicContact CZ2-CB 3.63Å; W42-L358 HydrophobicContact CZ2-CD1 3.73Å; W42-L358 HydrophobicContact CZ2-CG 4.33Å; W42-L358 HydrophobicContact CZ3-CD1 3.95Å; W42-S361 VanDerWaalsContact CD1-CB 3.43Å; W42-S361 PolarHBondContact NE1-OG 3.18Å |
| 43 | F | 81.5 | Confident | 85.9 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 39% | 0.386 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.2 | -172.2 | 69.2 | -96.2 | 0 | 0 | 0 | 114 | R40 E265 L445 | R40-F43 PolarHBondContact NH1-O 3.37Å; F43-E265 HydrophobicContact CE1-CB 4.31Å; F43-E265 HydrophobicContact CE1-CG 4.19Å; F43-E265 WeakPolarHBondContact CE1-OE2 3.43Å; F43-E265 HydrophobicContact CE2-CG 4.11Å; F43-E265 HydrophobicContact CZ-CB 3.71Å; F43-E265 VanDerWaalsContact CZ-CD 3.47Å; F43-E265 HydrophobicContact CZ-CG 3.45Å; F43-E265 VanDerWaalsContact CZ-CG 3.45Å; F43-E265 WeakPolarHBondContact CZ-OE2 3.2Å; F43-L445 HydrophobicContact CE2-CD2 3.57Å; F43-L445 HydrophobicContact CZ-CD2 3.56Å |
| 44 | W | 81.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.5 | 179.1 | 60 | 85.1 | 0 | 0 | 0 | 114.6 | W42 L269 L358 N442 I446 I449 | W42-W44 HydrophobicContact CB-CD2 3.78Å; W42-W44 VanDerWaalsContact CB-CE2 3.47Å; W42-W44 HydrophobicContact CB-CE3 3.96Å; W42-W44 HydrophobicContact CB-CG 4.5Å; W42-W44 HydrophobicContact CB-CH2 3.58Å; W42-W44 HydrophobicContact CB-CZ2 3.39Å; W42-W44 HydrophobicContact CB-CZ3 3.87Å; W42-W44 AromaticContact CD2-CH2 3.76Å; W42-W44 HydrophobicContact CD2-CH2 3.76Å; W42-W44 AromaticContact CD2-CZ2 3.86Å; W42-W44 HydrophobicContact CD2-CZ2 3.86Å; W42-W44 AromaticContact CE3-CH2 3.67Å; W42-W44 HydrophobicContact CE3-CH2 3.67Å; W42-W44 HydrophobicContact CE3-CZ2 4.26Å; W42-W44 HydrophobicContact CE3-CZ3 4.34Å; W42-W44 AromaticContact CG-CE2 3.97Å; W42-W44 AromaticContact CG-CH2 3.73Å; W42-W44 HydrophobicContact CG-CH2 3.73Å; W42-W44 AromaticContact CG-CZ2 3.46Å; W42-W44 HydrophobicContact CG-CZ2 3.46Å; W42-W44 VanDerWaalsContact CG-CZ2 3.46Å; W42-W44 HydrophobicContact CG-CZ3 4.47Å; W42-W44 PolarHBondContact O-N 2.86Å; W44-L269 HydrophobicContact CH2-CD1 3.47Å; W44-L269 VanDerWaalsContact CH2-CD1 3.47Å; W44-L269 HydrophobicContact CH2-CD2 3.8Å; W44-L269 HydrophobicContact CH2-CG 4.26Å; W44-L269 HydrophobicContact CZ2-CD1 4.38Å; W44-L269 HydrophobicContact CZ3-CD1 3.69Å; W44-L269 HydrophobicContact CZ3-CD2 4.14Å; W44-L269 HydrophobicContact CZ3-CG 4.43Å; W44-L358 HydrophobicContact CH2-CD1 3.29Å; W44-L358 HydrophobicContact CZ2-CD1 3.29Å; W44-L358 HydrophobicContact CZ2-CG 4.5Å; W44-N442 HydrophobicContact CB-CB 4.1Å; W44-I446 HydrophobicContact CB-CD1 4.41Å; W44-I446 HydrophobicContact CB-CG1 4.07Å; W44-I446 HydrophobicContact CG-CG1 4.01Å; W44-I449 HydrophobicContact CD2-CD1 3.77Å; W44-I449 HydrophobicContact CE3-CD1 3.86Å; W44-I449 HydrophobicContact CH2-CD1 3.86Å; W44-I449 HydrophobicContact CZ2-CD1 3.73Å; W44-I449 HydrophobicContact CZ2-CG2 4.35Å; W44-I449 HydrophobicContact CZ3-CD1 3.91Å |
| 45 | Q | 81.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.3 | 151.5 | -179.7 | -78.1 | -178.7 | -59.8 | 0 | 0 | 111.7 | R40 W42 S361 E365 | R40-Q45 HydrophobicContact CB-CB 4.31Å; R40-Q45 WeakPolarHBondContact CD-O 3.41Å; R40-Q45 VanDerWaalsContact CG-O 3.27Å; R40-Q45 WeakPolarHBondContact CG-O 3.33Å; R40-Q45 VanDerWaalsContact CZ-O 3.25Å; R40-Q45 PolarHBondContact NE-O 2.94Å; W42-Q45 HydrophobicContact CB-CG 4.09Å; W42-Q45 PolarHBondContact O-N 3.24Å; W42-Q45 VanDerWaalsContact O-N 3.07Å; Q45-S361 PolarHBondContact NE2-OG 3.36Å; Q45-E365 WeakPolarHBondContact CA-OE1 3.46Å; Q45-E365 HydrophobicContact CG-CG 4.11Å |
| 46 | K | 79.6 | Confident | 85.8 | Confident | 112 Ų | 112 | 54.6 Ų | 54.6 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 138.2 | 166.8 | -69.2 | 170.9 | -171.8 | 169.9 | 0 | 108.7 | E365 Y443 | K46-E365 WeakPolarHBondContact CB-OE1 3.3Å; K46-E365 WeakPolarHBondContact CD-OE2 3.36Å; K46-E365 WeakPolarHBondContact CG-OE2 3.38Å; K46-E365 PolarHBondContact N-OE1 2.73Å; K46-Y443 PolarHBondContact NZ-OH 3.44Å |
| 47 | P | 83.3 | Confident | 86 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 143.1 | 171.9 | -15.3 | 28.9 | 0 | 0 | 0 | 110.1 | K37 R40 Y49 | K37-P47 HydrophobicContact CD-CB 4.37Å; K37-P47 VanDerWaalsContact CE-CB 3.45Å; K37-P47 HydrophobicContact CG-CB 4.01Å; R40-P47 HydrophobicContact CG-CG 4.13Å; P47-Y49 HydrophobicContact CB-CE1 4.31Å; P47-Y49 HydrophobicContact CB-CE2 4.13Å; P47-Y49 WeakPolarHBondContact O-CD2 3.44Å; P47-Y49 VanDerWaalsContact O-CE2 3.31Å; P47-Y49 WeakPolarHBondContact O-CE2 3.3Å |
| 48 | K | 84.1 | Confident | 86.2 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.2 | 171 | -65.3 | -174.8 | 176.1 | -176.5 | 0 | 109.6 | H38 N306 D309 | H38-K48 HydrophobicContact CB-CB 4.42Å; H38-K48 PolarHBondContact N-O 3.38Å; K48-N306 PolarHBondContact NZ-OD1 3.26Å; K48-D309 IonicContact NZ-OD2 2.84Å; K48-D309 PolarHBondContact NZ-OD2 2.76Å |
| 49 | Y | 87.7 | Confident | 86.7 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.6 | -177.5 | -59.5 | -78.5 | 0 | 0 | 0 | 108.9 | I20 V35 K37 P47 Y218 I220 | I20-Y49 HydrophobicContact CB-CD2 4.46Å; I20-Y49 HydrophobicContact CD1-CD1 3.84Å; I20-Y49 HydrophobicContact CD1-CD2 3.71Å; I20-Y49 HydrophobicContact CD1-CE1 3.73Å; I20-Y49 HydrophobicContact CD1-CE2 3.55Å; I20-Y49 HydrophobicContact CD1-CG 3.83Å; I20-Y49 HydrophobicContact CG1-CD2 3.98Å; I20-Y49 HydrophobicContact CG1-CE2 3.7Å; I20-Y49 HydrophobicContact CG2-CD2 3.62Å; I20-Y49 HydrophobicContact CG2-CE2 4.12Å; I20-Y49 HydrophobicContact CG2-CG 4.25Å; V35-Y49 HydrophobicContact CG1-CD1 4.22Å; K37-Y49 HydrophobicContact CB-CD1 4Å; K37-Y49 HydrophobicContact CB-CE1 3.99Å; K37-Y49 HydrophobicContact CD-CE1 3.83Å; K37-Y49 HydrophobicContact CG-CD1 4Å; K37-Y49 HydrophobicContact CG-CE1 3.58Å; P47-Y49 HydrophobicContact CB-CE1 4.31Å; P47-Y49 HydrophobicContact CB-CE2 4.13Å; P47-Y49 WeakPolarHBondContact O-CD2 3.44Å; P47-Y49 VanDerWaalsContact O-CE2 3.31Å; P47-Y49 WeakPolarHBondContact O-CE2 3.3Å; Y49-Y218 VanDerWaalsContact CB-OH 3.31Å; Y49-Y218 WeakPolarHBondContact CB-OH 3.4Å; Y49-I220 HydrophobicContact CD1-CD1 3.84Å; Y49-I220 HydrophobicContact CE1-CD1 3.36Å |
| 50 | L | 87.6 | Confident | 87.7 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 105.5 | 175.2 | -62.7 | -173.6 | 0 | 0 | 0 | 108.6 | V36 H38 | V36-L50 HydrophobicContact CB-CB 4.45Å; V36-L50 PolarHBondContact N-O 2.77Å; V36-L50 PolarHBondContact O-N 3.02Å; H38-L50 WeakPolarHBondContact CE1-CD1 3.46Å |
| 51 | P | 89.9 | Confident | 88.4 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 150.4 | 169.6 | -20.2 | 34.4 | 0 | 0 | 0 | 110.1 | M29 | M29-P51 HydrophobicContact CE-CB 3.96Å; M29-P51 HydrophobicContact CE-CG 3.14Å; M29-P51 HydrophobicContact SD-CB 4.03Å; M29-P51 HydrophobicContact SD-CG 3.84Å |
| 52 | T | 92.1 | Very high | 88.6 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 161.3 | 175.1 | 74.8 | 0 | 0 | 0 | 0 | 109.6 | V34 V36 F54 L141 | V34-T52 WeakPolarHBondContact O-CB 3.23Å; V34-T52 PolarHBondContact O-N 2.86Å; V34-T52 PolarHBondContact O-OG1 2.78Å; V36-T52 HydrophobicContact CG2-CG2 3.85Å; T52-F54 PolarHBondContact O-N 3.24Å; T52-F54 PolarHBondContact OG1-N 3.39Å; T52-F54 PolarHBondContact OG1-O 3.08Å; T52-L141 HydrophobicContact CG2-CD1 4.24Å; T52-L141 HydrophobicContact CG2-CD2 4.14Å |
| 53 | D | 91.8 | Very high | 88.3 | Confident | 163 Ų | 163 | 55.8 Ų | 55.8 | 87% | 0.872 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 2.9 | 175.9 | -58.3 | -40.7 | 0 | 0 | 0 | 112.9 | ||
| 54 | F | 94.8 | Very high | 88.4 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145.3 | -176.7 | -58.9 | -84.3 | 0 | 0 | 0 | 111.3 | V34 T52 D58 L59 H139 L141 | V34-F54 WeakPolarHBondContact CB-O 2.82Å; V34-F54 PolarHBondContact N-O 3.09Å; T52-F54 PolarHBondContact O-N 3.24Å; T52-F54 PolarHBondContact OG1-N 3.39Å; T52-F54 PolarHBondContact OG1-O 3.08Å; F54-D58 HydrophobicContact CB-CB 4.34Å; F54-D58 HydrophobicContact CD1-CB 4.05Å; F54-L59 HydrophobicContact CB-CD2 4.43Å; F54-H139 AromaticContact CD1-CE1 3.87Å; F54-H139 AromaticContact CD1-NE2 3.73Å; F54-H139 AromaticContact CE1-CE1 3.65Å; F54-H139 AromaticContact CE1-NE2 3.5Å; F54-H139 WeakPolarHBondContact CE1-NE2 3.35Å; F54-H139 AromaticContact CZ-CE1 3.83Å; F54-L141 HydrophobicContact CB-CD2 4.31Å; F54-L141 HydrophobicContact CD2-CD2 3.77Å; F54-L141 HydrophobicContact CE2-CD2 4.48Å; F54-L141 HydrophobicContact CG-CD2 4.28Å |
| 55 | T | 95.2 | Very high | 88.8 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 25% | 0.245 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 167.5 | 168.3 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | L32 N57 D58 | L32-T55 CarbonylContact O-C 3.58Å; L32-T55 WeakPolarHBondContact O-CA 3.21Å; T55-N57 PolarHBondContact O-N 3.27Å; T55-N57 PolarHBondContact OG1-N 3.27Å; T55-D58 WeakPolarHBondContact CA-OD2 3.28Å; T55-D58 WeakPolarHBondContact CB-OD2 3.5Å; T55-D58 PolarHBondContact N-OD2 3.48Å; T55-D58 PolarHBondContact O-N 3.37Å; T55-D58 VanDerWaalsContact O-N 3.11Å; T55-D58 PolarHBondContact OG1-OD2 2.85Å |
| 56 | L | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.6 | -38.1 | 173.6 | -179.2 | 60.3 | 0 | 0 | 0 | 111.4 | L32 D58 L59 L60 I66 L135 I155 L223 F231 | L32-L56 HydrophobicContact CB-CB 4.24Å; L32-L56 PolarHBondContact O-N 2.84Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.1Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L56-L60 HydrophobicContact CG-CD1 4.4Å; L56-L60 HydrophobicContact CG-CG 4.39Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.4Å; L56-I66 HydrophobicContact CD2-CD1 4.23Å; L56-L135 HydrophobicContact CD1-CD2 4.04Å; L56-I155 HydrophobicContact CB-CG2 4.2Å; L56-I155 HydrophobicContact CD1-CG2 4.43Å; L56-I155 HydrophobicContact CD2-CD1 4.04Å; L56-L223 HydrophobicContact CD1-CD1 4.36Å; L56-F231 HydrophobicContact CD1-CE2 4.22Å; L56-F231 HydrophobicContact CD1-CZ 4.18Å; L56-F231 HydrophobicContact CD2-CE2 4.35Å; L56-F231 HydrophobicContact CD2-CZ 4.37Å |
| 57 | N | 95.2 | Very high | 89.7 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -32.9 | -178.5 | -71.2 | -39.4 | 0 | 0 | 0 | 113.1 | T55 L59 L60 P65 I66 | T55-N57 PolarHBondContact O-N 3.27Å; T55-N57 PolarHBondContact OG1-N 3.27Å; N57-L59 PolarHBondContact O-N 3.11Å; N57-L60 PolarHBondContact O-N 3.19Å; N57-P65 HydrophobicContact CB-CB 4.24Å; N57-I66 PolarHBondContact ND2-O 3Å; N57-I66 WeakPolarHBondContact OD1-CB 3.48Å; N57-I66 PolarHBondContact OD1-N 3.05Å |
| 58 | D | 94.9 | Very high | 89.7 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.4 | -21.6 | 177.1 | -54.4 | -56.3 | 0 | 0 | 0 | 112 | F54 T55 L56 | F54-D58 HydrophobicContact CB-CB 4.34Å; F54-D58 HydrophobicContact CD1-CB 4.05Å; T55-D58 WeakPolarHBondContact CA-OD2 3.28Å; T55-D58 WeakPolarHBondContact CB-OD2 3.5Å; T55-D58 PolarHBondContact N-OD2 3.48Å; T55-D58 PolarHBondContact O-N 3.37Å; T55-D58 VanDerWaalsContact O-N 3.11Å; T55-D58 PolarHBondContact OG1-OD2 2.85Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.1Å |
| 59 | L | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -96 | -8.5 | 178.7 | -57.5 | -170.1 | 0 | 0 | 0 | 113.7 | V34 F54 L56 N57 L135 D136 H139 L141 I142 | V34-L59 HydrophobicContact CB-CD1 4.39Å; V34-L59 HydrophobicContact CG1-CD1 4.09Å; V34-L59 HydrophobicContact CG2-CD1 3.69Å; V34-L59 HydrophobicContact CG2-CG 4.3Å; F54-L59 HydrophobicContact CB-CD2 4.43Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L59 VanDerWaalsContact O-N 3.1Å; N57-L59 PolarHBondContact O-N 3.11Å; L59-L135 HydrophobicContact CB-CD2 3.93Å; L59-L135 CarbonylContact O-C 3.55Å; L59-L135 VanDerWaalsContact O-CA 3.23Å; L59-L135 WeakPolarHBondContact O-CA 3.45Å; L59-D136 PolarHBondContact O-N 3.34Å; L59-H139 HydrophobicContact CD2-CB 4.45Å; L59-H139 VanDerWaalsContact CD2-CE1 3.48Å; L59-H139 WeakPolarHBondContact CD2-CE1 3.26Å; L59-H139 WeakPolarHBondContact CD2-ND1 3.27Å; L59-L141 HydrophobicContact CD1-CD2 4.34Å; L59-L141 HydrophobicContact CD2-CD2 4.28Å; L59-I142 HydrophobicContact CB-CD1 4.21Å; L59-I142 HydrophobicContact CD1-CD1 4.41Å; L59-I142 HydrophobicContact CD1-CG1 4.37Å; L59-I142 HydrophobicContact CD2-CD1 4.44Å; L59-I142 HydrophobicContact CD2-CG1 4.5Å |
| 60 | L | 94.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 138.4 | -178.7 | -75.5 | 174.7 | 0 | 0 | 0 | 111.4 | L56 N57 G62 I66 R133 L135 F231 | L56-L60 HydrophobicContact CG-CD1 4.4Å; L56-L60 HydrophobicContact CG-CG 4.39Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.4Å; N57-L60 PolarHBondContact O-N 3.19Å; L60-G62 PolarHBondContact O-N 3.27Å; L60-I66 HydrophobicContact CD1-CD1 3.67Å; L60-I66 HydrophobicContact CD1-CG1 3.89Å; L60-R133 HydrophobicContact CD2-CB 3.88Å; L60-L135 HydrophobicContact CD2-CD2 4.13Å; L60-F231 HydrophobicContact CD2-CE1 3.52Å; L60-F231 HydrophobicContact CD2-CZ 3.86Å |
| 61 | A | 90.6 | Very high | 90.4 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -80.9 | 116.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V134 D136 | A61-V134 HydrophobicContact CB-CG2 3.92Å; A61-V134 PolarHBondContact N-O 3.45Å; A61-D136 HydrophobicContact CB-CB 4.4Å |
| 62 | G | 80.5 | Confident | 90.6 | Very high | 56 Ų | 56 | 61.4 Ų | 61.4 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 93.8 | 168.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | L60 R133 | L60-G62 PolarHBondContact O-N 3.27Å; G62-R133 PolarHBondContact O-NH2 3.42Å |
| 63 | D | 77.9 | Confident | 90.7 | Very high | 147 Ų | 147 | 63.7 Ų | 63.7 | 79% | 0.786 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -99 | 163.9 | -177.4 | -75.1 | -47.7 | 0 | 0 | 0 | 112.7 | R133 | D63-R133 PolarHBondContact O-NH1 2.96Å; D63-R133 VanDerWaalsContact O-NH1 3.15Å |
| 64 | P | 84.4 | Confident | 90.8 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 58% | 0.584 | 37% | 0.367 | S | S | * | . | S | Bend | cis | -84.5 | 165.5 | -8.8 | 34.5 | -35.5 | 0 | 0 | 0 | 112.6 | R133 | P64-R133 PolarHBondContact O-NH1 3.07Å; P64-R133 PolarHBondContact O-NH2 3.27Å |
| 65 | P | 89.3 | Confident | 90.5 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 148.3 | 176.3 | 27.2 | -35.3 | 0 | 0 | 0 | 112.2 | N57 | N57-P65 HydrophobicContact CB-CB 4.24Š|
| 66 | I | 89.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 123.9 | 172.1 | -59.1 | 179.8 | 0 | 0 | 0 | 108.3 | L32 L56 N57 L60 L126 E129 | L32-I66 HydrophobicContact CD1-CG2 4.28Å; L56-I66 HydrophobicContact CD2-CD1 4.23Å; N57-I66 PolarHBondContact ND2-O 3Å; N57-I66 WeakPolarHBondContact OD1-CB 3.48Å; N57-I66 PolarHBondContact OD1-N 3.05Å; L60-I66 HydrophobicContact CD1-CD1 3.67Å; L60-I66 HydrophobicContact CD1-CG1 3.89Å; I66-L126 HydrophobicContact CG2-CD1 3.58Å; I66-E129 HydrophobicContact CG2-CB 4.25Å |
| 67 | T | 88.3 | Confident | 89.9 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | trans | -106.8 | 108.6 | 177.8 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | T69 | T67-T69 PolarHBondContact O-N 3.4Š| ||
| 68 | P | 84.4 | Confident | 89.4 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 26% | 0.26 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 130.9 | -174.9 | 28.1 | -32.3 | 0 | 0 | 0 | 109.3 | L31 L32 V70 A121 | L31-P68 HydrophobicContact CB-CG 4.26Å; L32-P68 HydrophobicContact CD1-CB 4.01Å; L32-P68 HydrophobicContact CD1-CG 3.81Å; L32-P68 HydrophobicContact CD2-CB 4.41Å; L32-P68 HydrophobicContact CG-CB 4.09Å; L32-P68 HydrophobicContact CG-CG 3.99Å; P68-V70 PolarHBondContact O-N 3.4Å; P68-A121 HydrophobicContact CB-CB 4.47Å |
| 69 | T | 90.5 | Very high | 88.7 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 119.7 | 167.1 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | T67 A121 D122 K125 | T67-T69 PolarHBondContact O-N 3.4Å; T69-A121 WeakPolarHBondContact O-CA 3.46Å; T69-D122 PolarHBondContact O-N 3.22Å; T69-K125 WeakPolarHBondContact OG1-CD 3.43Å; T69-K125 VanDerWaalsContact OG1-CE 3.28Å; T69-K125 WeakPolarHBondContact OG1-CE 3.49Å; T69-K125 PolarHBondContact OG1-NZ 3.41Å |
| 70 | V | 92.1 | Very high | 87.8 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 42% | 0.418 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.2 | -172.7 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | L31 P68 H119 | L31-V70 HydrophobicContact CD1-CB 4.12Å; L31-V70 HydrophobicContact CD1-CG1 3.72Å; L31-V70 HydrophobicContact CD1-CG2 3.45Å; L31-V70 VanDerWaalsContact CD1-CG2 3.45Å; P68-V70 PolarHBondContact O-N 3.4Å; V70-H119 HydrophobicContact CG1-CB 3.9Å |
| 71 | L | 92.2 | Very high | 86.7 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 47% | 0.466 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.2 | 165.5 | -60.2 | 173.8 | 0 | 0 | 0 | 108 | I73 H119 E120 | L71-I73 HydrophobicContact CB-CD1 4.27Å; L71-I73 HydrophobicContact CB-CG1 4.28Å; L71-H119 WeakPolarHBondContact O-CA 3.47Å; L71-E120 PolarHBondContact N-O 2.92Å; L71-E120 PolarHBondContact O-N 2.96Å |
| 72 | D | 93.7 | Very high | 85.1 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.8 | 173.2 | -178 | 17.5 | 0 | 0 | 0 | 109.2 | K117 H119 | D72-K117 VanDerWaalsContact OD1-CD 3.31Å; D72-K117 WeakPolarHBondContact OD1-CD 3.47Å; D72-K117 IonicContact OD1-NZ 3.01Å; D72-K117 IonicContact OD2-NZ 3.37Å; D72-K117 PolarHBondContact OD2-NZ 2.99Å; D72-H119 IonicContact OD1-CD2 3.85Å; D72-H119 PolarHBondContact OD1-CD2 2.86Å; D72-H119 IonicContact OD1-NE2 3.74Å; D72-H119 PolarHBondContact OD1-NE2 3.16Å |
| 73 | I | 93.8 | Very high | 83.8 | Confident | 70 Ų | 70 | 76 Ų | 76 | 36% | 0.359 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.4 | -169.7 | -53.1 | 171.4 | 0 | 0 | 0 | 108.9 | L71 F75 K117 K118 | L71-I73 HydrophobicContact CB-CD1 4.27Å; L71-I73 HydrophobicContact CB-CG1 4.28Å; I73-F75 PolarHBondContact O-N 2.82Å; I73-K117 CarbonylContact O-C 3.57Å; I73-K117 WeakPolarHBondContact O-CA 3.46Å; I73-K118 HydrophobicContact CB-CB 4.35Å; I73-K118 PolarHBondContact N-O 3.02Å; I73-K118 PolarHBondContact O-N 2.86Å |
| 74 | D | 93.1 | Very high | 82.1 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 69% | 0.69 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 125.9 | 169.7 | -69.2 | -31 | 0 | 0 | 0 | 109.8 | K117 | D74-K117 WeakPolarHBondContact OD1-CE 3.41Å |
| 75 | F | 89.1 | Confident | 80 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -90.8 | -173.3 | -170.6 | -122.3 | 0 | 0 | 0 | 111.8 | F9 V13 I73 L116 K118 I160 | F9-F75 HydrophobicContact CZ-CD1 4.49Å; F9-F75 HydrophobicContact CZ-CE1 4.01Å; V13-F75 HydrophobicContact CG2-CE1 4.5Å; I73-F75 PolarHBondContact O-N 2.82Å; F75-L116 HydrophobicContact CB-CB 4.44Å; F75-L116 WeakPolarHBondContact CB-O 3.28Å; F75-L116 HydrophobicContact CD1-CB 4.42Å; F75-L116 PolarHBondContact N-O 2.81Å; F75-K118 HydrophobicContact CB-CB 4.24Å; F75-K118 HydrophobicContact CD2-CB 4.42Å; F75-K118 HydrophobicContact CG-CB 4.47Å; F75-I160 HydrophobicContact CD1-CD1 4.06Å; F75-I160 HydrophobicContact CD1-CG2 4.05Å; F75-I160 HydrophobicContact CE1-CD1 4.18Å; F75-I160 HydrophobicContact CG-CD1 4.27Å; F75-I160 HydrophobicContact CZ-CD1 4.47Å |
| 76 | I | 89.1 | Confident | 77.7 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 33% | 0.328 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 168.2 | -179.6 | 69.9 | 177.1 | 0 | 0 | 0 | 111.2 | F9 V13 L116 | F9-I76 HydrophobicContact CE2-CD1 3.97Å; F9-I76 HydrophobicContact CE2-CG1 4.46Å; V13-I76 HydrophobicContact CB-CD1 4.25Å; V13-I76 HydrophobicContact CG1-CD1 3.47Å; V13-I76 VanDerWaalsContact CG1-CD1 3.47Å; I76-L116 HydrophobicContact CG1-CD1 4.16Å; I76-L116 WeakPolarHBondContact O-CB 3.4Å; I76-L116 PolarHBondContact O-N 3.24Å |
| 77 | K | 88.8 | Confident | 75.1 | Confident | 169 Ų | 169 | 75.1 Ų | 75.1 | 74% | 0.735 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.3 | 164.2 | -176.7 | 177.4 | 179.9 | 179.5 | 0 | 109.6 | G114 | K77-G114 CarbonylContact C-O 3.51Å; K77-G114 VanDerWaalsContact CA-O 3.24Å; K77-G114 WeakPolarHBondContact CA-O 3.3Å |
| 78 | Y | 85.4 | Confident | 72.3 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 5% | 0.047 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.4 | -173.9 | -177.1 | -90 | 0 | 0 | 0 | 113.9 | F9 E12 V13 S80 F113 G114 | F9-Y78 HydrophobicContact CB-CE1 4.31Å; F9-Y78 HydrophobicContact CB-CE2 4.41Å; F9-Y78 HydrophobicContact CD2-CD1 4.04Å; F9-Y78 AromaticContact CD2-CD2 3.58Å; F9-Y78 HydrophobicContact CD2-CD2 3.58Å; F9-Y78 HydrophobicContact CD2-CE1 4.31Å; F9-Y78 AromaticContact CD2-CE2 3.86Å; F9-Y78 HydrophobicContact CD2-CE2 3.86Å; F9-Y78 AromaticContact CD2-CG 3.64Å; F9-Y78 HydrophobicContact CD2-CG 3.64Å; F9-Y78 HydrophobicContact CE2-CD2 4.12Å; F9-Y78 HydrophobicContact CE2-CG 4.13Å; E12-Y78 WeakPolarHBondContact OE2-CE2 3.35Å; V13-Y78 HydrophobicContact CG1-CD2 4.42Å; Y78-S80 WeakPolarHBondContact CE1-OG 3.45Å; Y78-S80 WeakPolarHBondContact OH-CB 3.5Å; Y78-S80 PolarHBondContact OH-OG 3.32Å; Y78-F113 HydrophobicContact CD1-CB 4.41Å; Y78-F113 AromaticContact CD1-CD2 3.45Å; Y78-F113 HydrophobicContact CD1-CD2 3.45Å; Y78-F113 VanDerWaalsContact CD1-CD2 3.45Å; Y78-F113 HydrophobicContact CD1-CE2 4.17Å; Y78-F113 HydrophobicContact CD1-CG 4.31Å; Y78-F113 AromaticContact CE1-CD2 3.84Å; Y78-F113 HydrophobicContact CE1-CD2 3.84Å; Y78-F113 HydrophobicContact CE1-CE2 4.09Å; Y78-F113 HydrophobicContact CG-CD2 4.31Å; Y78-F113 PolarHBondContact O-N 2.81Å; Y78-F113 VanDerWaalsContact O-N 3.09Å; Y78-G114 PolarHBondContact N-O 2.54Å; Y78-G114 PolarHBondContact O-N 2.89Å |
| 79 | S | 80 | Confident | 69.7 | Low | 80 Ų | 80 | 75.8 Ų | 75.8 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 130.4 | 170.1 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | S111 | S79-S111 CarbonylContact C-O 3.57Å; S79-S111 WeakPolarHBondContact CA-O 3.19Å |
| 80 | S | 74.8 | Confident | 66.8 | Low | 14 Ų | 14 | 80.6 Ų | 80.6 | 10% | 0.098 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.6 | -176.9 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | Y78 Q110 S111 | Y78-S80 WeakPolarHBondContact CE1-OG 3.45Å; Y78-S80 WeakPolarHBondContact OH-CB 3.5Å; Y78-S80 PolarHBondContact OH-OG 3.32Å; S80-Q110 CarbonylContact O-C 3.48Å; S80-Q110 WeakPolarHBondContact O-CA 3.4Å; S80-S111 PolarHBondContact N-O 3.43Å; S80-S111 PolarHBondContact O-N 2.84Å |
| 81 | T | 72.3 | Confident | 64 | Low | 100 Ų | 100 | 84.8 Ų | 84.8 | 61% | 0.613 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.4 | 169.7 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | Q110 | T81-Q110 HydrophobicContact CG2-CB 4.45Å |
| 82 | Y | 57.8 | Low | 60.9 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 37% | 0.373 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.5 | -178 | -161.4 | -92.9 | 0 | 0 | 0 | 109.5 | K108 L109 | Y82-K108 CarbonylContact O-C 3.52Å; Y82-K108 WeakPolarHBondContact O-CA 3.46Å; Y82-L109 PolarHBondContact N-O 2.67Å; Y82-L109 WeakPolarHBondContact O-CA 3.4Å; Y82-L109 PolarHBondContact O-N 2.74Å |
| 83 | G | 53.5 | Low | 58 | Low | 44 Ų | 44 | 84.8 Ų | 84.8 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 84 | G | 42.6 | Very low | 54.8 | Low | 48 Ų | 48 | 90.6 Ų | 90.6 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | trans | -92.1 | 8.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S107 | G84-S107 WeakPolarHBondContact CA-O 3.39Å; G84-S107 PolarHBondContact N-O 2.84Å | ||
| 85 | G | 38.5 | Very low | 51.7 | Low | 25 Ų | 25 | 91.1 Ų | 91.1 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -79.6 | 117.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E87 | G85-E87 PolarHBondContact O-N 2.89Š|
| 86 | M | 42 | Very low | 48.8 | Very low | 62 Ų | 62 | 95 Ų | 95 | 31% | 0.305 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -71.9 | 61.6 | 168.3 | -160.2 | 158.4 | 162.5 | 0 | 0 | 109.8 | L99 V101 V373 | M86-L99 HydrophobicContact CE-CB 3.94Å; M86-L99 HydrophobicContact CE-CD1 4.04Å; M86-V101 HydrophobicContact CE-CB 4.3Å; M86-V101 HydrophobicContact CE-CG2 3.74Å; M86-V101 HydrophobicContact SD-CB 3.98Å; M86-V101 HydrophobicContact SD-CG2 4.04Å; M86-V373 HydrophobicContact CE-CG2 4.35Å; M86-V373 HydrophobicContact SD-CG2 4.24Å |
| 87 | E | 34.8 | Very low | 46 | Very low | 165 Ų | 165 | 94.2 Ų | 94.2 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | trans | -126.4 | 63.2 | 160.3 | -158 | 179.3 | -164.2 | 0 | 0 | 106.9 | G85 S89 | G85-E87 PolarHBondContact O-N 2.89Å; E87-S89 PolarHBondContact O-N 2.85Å | ||
| 88 | G | 30.2 | Very low | 43.2 | Very low | 62 Ų | 62 | 94.9 Ų | 94.9 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | trans | -89.9 | 95.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | M90 | G88-M90 PolarHBondContact O-N 2.83Å; G88-M90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | S | 29.6 | Very low | 40.7 | Very low | 85 Ų | 85 | 95.7 Ų | 95.7 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | trans | -72.4 | 88.6 | 146.2 | 170.3 | 0 | 0 | 0 | 0 | 107.1 | E87 D91 | E87-S89 PolarHBondContact O-N 2.85Å; S89-D91 PolarHBondContact O-N 2.79Å | ||
| 90 | M | 30.3 | Very low | 38.3 | Very low | 153 Ų | 153 | 98.3 Ų | 98.3 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | trans | -68.1 | 113.7 | 167.7 | -75.9 | 176.9 | 73.5 | 0 | 0 | 108.9 | G88 A92 | G88-M90 PolarHBondContact O-N 2.83Å; G88-M90 VanDerWaalsContact O-N 3.13Å; M90-A92 PolarHBondContact O-N 2.88Å | ||
| 91 | D | 33 | Very low | 36.4 | Very low | 157 Ų | 157 | 100 Ų | 100 | 84% | 0.84 | 58% | 0.577 | S | S | * | * | trans | -88.8 | 81.5 | 168.7 | -136.9 | 8.8 | 0 | 0 | 0 | 108.2 | S89 | S89-D91 PolarHBondContact O-N 2.79Š| ||
| 92 | A | 27 | Very low | 34.4 | Very low | 67 Ų | 67 | 103.4 Ų | 103.4 | 55% | 0.554 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -163.5 | 76.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | M90 F94 | M90-A92 PolarHBondContact O-N 2.88Å; A92-F94 PolarHBondContact O-N 3.35Å |
| 93 | S | 31.8 | Very low | 33.4 | Very low | 107 Ų | 107 | 102.4 Ų | 102.4 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 36.9 | 43.8 | 153.9 | 70.2 | 0 | 0 | 0 | 0 | 119.7 | ||
| 94 | F | 27.8 | Very low | 32.8 | Very low | 191 Ų | 191 | 106.1 Ų | 106.1 | 84% | 0.838 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -148.4 | 141.4 | 155.8 | -77.9 | -78.7 | 0 | 0 | 0 | 108.6 | A92 | A92-F94 PolarHBondContact O-N 3.35Š|
| 95 | V | 28.1 | Very low | 32.9 | Very low | 140 Ų | 140 | 107.2 Ų | 107.2 | 85% | 0.848 | 59% | 0.59 | S | S | * | * | trans | -25.1 | 120.7 | -166 | -177.5 | 0 | 0 | 0 | 0 | 116.2 | A97 | V95-A97 PolarHBondContact O-N 3.1Š| ||
| 96 | K | 27.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 107.4 Ų | 107.4 | 67% | 0.67 | 59% | 0.588 | S | S | * | * | trans | -67.4 | 89.1 | 170.8 | -80.7 | 177.5 | 173.4 | 173.4 | 0 | 110.6 | ||||
| 97 | A | 30.5 | Very low | 34.2 | Very low | 48 Ų | 48 | 106.7 Ų | 106.7 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | trans | -85.8 | 123.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V95 L99 | V95-A97 PolarHBondContact O-N 3.1Å; A97-L99 PolarHBondContact O-N 3.43Å | ||
| 98 | K | 28.9 | Very low | 35.9 | Very low | 183 Ų | 183 | 103.7 Ų | 103.7 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | trans | -96.4 | 74.1 | -175.8 | -140.4 | -174.2 | -171 | -171.5 | 0 | 108.3 | N100 | K98-N100 PolarHBondContact O-N 3.35Š| ||
| 99 | L | 32.9 | Very low | 37.8 | Very low | 30 Ų | 30 | 101.3 Ų | 101.3 | 16% | 0.157 | 55% | 0.546 | C | S | . | . | trans | -75.7 | 103.2 | 176.9 | -91.9 | 173.7 | 0 | 0 | 0 | 110.5 | M86 A97 V101 E412 R413 | M86-L99 HydrophobicContact CE-CB 3.94Å; M86-L99 HydrophobicContact CE-CD1 4.04Å; A97-L99 PolarHBondContact O-N 3.43Å; L99-V101 VanDerWaalsContact C-N 3.26Å; L99-V101 PolarHBondContact O-N 3.39Å; L99-E412 HydrophobicContact CD1-CB 3.61Å; L99-E412 HydrophobicContact CD2-CB 3.93Å; L99-E412 WeakPolarHBondContact CD2-OE2 3.18Å; L99-E412 HydrophobicContact CG-CB 3.85Å; L99-E412 WeakPolarHBondContact CG-OE2 3.36Å; L99-R413 HydrophobicContact CD1-CG 4.44Å | ||
| 100 | N | 29.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 101 Ų | 101 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | trans | -78.6 | 75.5 | 166.3 | -88.2 | -9.7 | 0 | 0 | 0 | 109.5 | K98 K102 | K98-N100 PolarHBondContact O-N 3.35Å; N100-K102 PolarHBondContact O-N 2.69Å | ||
| 101 | V | 35.8 | Very low | 42.4 | Very low | 49 Ų | 49 | 93.7 Ų | 93.7 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | trans | -75.3 | 108.5 | 156.4 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | M86 L99 S103 | M86-V101 HydrophobicContact CE-CB 4.3Å; M86-V101 HydrophobicContact CE-CG2 3.74Å; M86-V101 HydrophobicContact SD-CB 3.98Å; M86-V101 HydrophobicContact SD-CG2 4.04Å; L99-V101 VanDerWaalsContact C-N 3.26Å; L99-V101 PolarHBondContact O-N 3.39Å; V101-S103 PolarHBondContact O-N 2.79Å | ||
| 102 | K | 30.6 | Very low | 44.9 | Very low | 171 Ų | 171 | 88 Ų | 88 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | trans | -72 | 76.5 | -178.3 | -156.5 | -175.1 | -175.2 | -162.9 | 0 | 109.2 | N100 E104 | N100-K102 PolarHBondContact O-N 2.69Å; K102-E104 PolarHBondContact O-N 2.83Å | ||
| 103 | S | 36.3 | Very low | 47.7 | Very low | 74 Ų | 74 | 84.9 Ų | 84.9 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | trans | -73.5 | 113.1 | 159.3 | -172.9 | 0 | 0 | 0 | 0 | 106.4 | V101 D105 | V101-S103 PolarHBondContact O-N 2.79Å; S103-D105 PolarHBondContact O-N 3.37Å; S103-D105 VanDerWaalsContact O-N 3.17Å; S103-D105 PolarHBondContact OG-O 2.69Å | ||
| 104 | E | 41.6 | Very low | 50.4 | Low | 122 Ų | 122 | 80.6 Ų | 80.6 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -66.1 | -11.6 | 179.5 | -75.3 | -174.6 | 150.6 | 0 | 0 | 112.9 | K102 Q175 | K102-E104 PolarHBondContact O-N 2.83Å; E104-Q175 PolarHBondContact O-N 2.74Å |
| 105 | D | 44.1 | Very low | 53.3 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.4 | 179 | -65.9 | -6.9 | 0 | 0 | 0 | 109.7 | S103 Q174 | S103-D105 PolarHBondContact O-N 3.37Å; S103-D105 VanDerWaalsContact O-N 3.17Å; S103-D105 PolarHBondContact OG-O 2.69Å; D105-Q174 WeakPolarHBondContact OD1-CG 3.2Å; D105-Q174 PolarHBondContact OD2-NE2 2.78Å |
| 106 | S | 52.8 | Low | 56.5 | Low | 30 Ų | 30 | 67.7 Ų | 67.7 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.7 | 168.1 | 69.5 | 0 | 0 | 0 | 0 | 109.5 | Q173 | S106-Q173 PolarHBondContact N-O 3.28Å; S106-Q173 VanDerWaalsContact N-O 3.13Å; S106-Q173 PolarHBondContact O-N 3.21Å |
| 107 | S | 56 | Low | 59.7 | Low | 47 Ų | 47 | 63.2 Ų | 63.2 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.5 | 172.6 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | G84 D171 | G84-S107 WeakPolarHBondContact CA-O 3.39Å; G84-S107 PolarHBondContact N-O 2.84Å; S107-D171 CarbonylContact C-O 3.49Å; S107-D171 VanDerWaalsContact CA-O 3.26Å; S107-D171 WeakPolarHBondContact CA-O 3.32Å |
| 108 | K | 69.5 | Low | 62.8 | Low | 102 Ų | 102 | 62.7 Ų | 62.7 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121 | 171.3 | -66.6 | 178.1 | -178.8 | 172.7 | 0 | 109.4 | Y82 E170 D171 | Y82-K108 CarbonylContact O-C 3.52Å; Y82-K108 WeakPolarHBondContact O-CA 3.46Å; K108-E170 CarbonylContact O-C 3.59Å; K108-E170 WeakPolarHBondContact O-CA 3.14Å; K108-D171 HydrophobicContact CB-CB 4.31Å; K108-D171 PolarHBondContact N-O 3.5Å; K108-D171 PolarHBondContact O-N 3.09Å |
| 109 | L | 70.1 | Confident | 66 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 106.1 | 176.3 | -169.7 | 73.4 | 0 | 0 | 0 | 111 | M1 I4 Y82 V168 I169 E170 | M1-L109 HydrophobicContact CB-CD1 4.33Å; M1-L109 HydrophobicContact CG-CD1 4.06Å; I4-L109 HydrophobicContact CB-CD2 3.79Å; I4-L109 HydrophobicContact CG2-CD2 3.48Å; I4-L109 VanDerWaalsContact CG2-CD2 3.48Å; Y82-L109 PolarHBondContact N-O 2.67Å; Y82-L109 WeakPolarHBondContact O-CA 3.4Å; Y82-L109 PolarHBondContact O-N 2.74Å; L109-V168 HydrophobicContact CD1-CG1 3.51Å; L109-V168 HydrophobicContact CG-CG1 4.07Å; L109-I169 CarbonylContact C-O 3.49Å; L109-I169 WeakPolarHBondContact CA-O 3.34Å; L109-E170 HydrophobicContact CD1-CB 3.91Å; L109-E170 HydrophobicContact CD1-CG 4.35Å |
| 110 | Q | 77.3 | Confident | 69 | Low | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.5 | 167.7 | -175.9 | 176.5 | -16.4 | 0 | 0 | 109.9 | S80 T81 V168 I169 | S80-Q110 CarbonylContact O-C 3.48Å; S80-Q110 WeakPolarHBondContact O-CA 3.4Å; T81-Q110 HydrophobicContact CG2-CB 4.45Å; Q110-V168 CarbonylContact O-C 3.45Å; Q110-V168 WeakPolarHBondContact O-CA 3.47Å; Q110-I169 HydrophobicContact CB-CB 4.4Å; Q110-I169 PolarHBondContact N-O 3.21Å; Q110-I169 PolarHBondContact O-N 3.38Å |
| 111 | S | 79.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.6 | -178.5 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | A5 S79 S80 | A5-S111 VanDerWaalsContact CB-OG 3.23Å; A5-S111 WeakPolarHBondContact CB-OG 3.49Å; S79-S111 CarbonylContact C-O 3.57Å; S79-S111 WeakPolarHBondContact CA-O 3.19Å; S80-S111 PolarHBondContact N-O 3.43Å; S80-S111 PolarHBondContact O-N 2.84Å |
| 112 | S | 85.4 | Confident | 74.8 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 107.9 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 109.2 | C166 S167 | S112-C166 VanDerWaalsContact O-CB 3.26Å; S112-C166 WeakPolarHBondContact O-CB 3.48Å; S112-S167 PolarHBondContact N-O 3.09Å; S112-S167 PolarHBondContact O-N 2.94Å; S112-S167 VanDerWaalsContact O-O 3.12Å |
| 113 | F | 87.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -5.5 | 176.9 | -62.5 | -59.7 | 0 | 0 | 0 | 113.3 | A5 T6 F9 Y78 L116 V168 I210 I216 | A5-F113 HydrophobicContact CB-CE1 4.43Å; A5-F113 HydrophobicContact CB-CE2 4.25Å; A5-F113 HydrophobicContact CB-CZ 3.58Å; T6-F113 HydrophobicContact CG2-CZ 4.13Å; F9-F113 HydrophobicContact CB-CD2 4.26Å; F9-F113 HydrophobicContact CB-CE2 3.8Å; F9-F113 HydrophobicContact CD2-CD2 4.2Å; F9-F113 HydrophobicContact CG-CD2 4.34Å; F9-F113 HydrophobicContact CG-CE2 4.29Å; Y78-F113 HydrophobicContact CD1-CB 4.41Å; Y78-F113 AromaticContact CD1-CD2 3.45Å; Y78-F113 HydrophobicContact CD1-CD2 3.45Å; Y78-F113 VanDerWaalsContact CD1-CD2 3.45Å; Y78-F113 HydrophobicContact CD1-CE2 4.17Å; Y78-F113 HydrophobicContact CD1-CG 4.31Å; Y78-F113 AromaticContact CE1-CD2 3.84Å; Y78-F113 HydrophobicContact CE1-CD2 3.84Å; Y78-F113 HydrophobicContact CE1-CE2 4.09Å; Y78-F113 HydrophobicContact CG-CD2 4.31Å; Y78-F113 PolarHBondContact O-N 2.81Å; Y78-F113 VanDerWaalsContact O-N 3.09Å; F113-L116 HydrophobicContact CB-CD1 4.39Å; F113-L116 HydrophobicContact CB-CD2 3.94Å; F113-L116 HydrophobicContact CB-CG 4.46Å; F113-V168 HydrophobicContact CE1-CG2 4.16Å; F113-V168 HydrophobicContact CZ-CG2 4.47Å; F113-I210 HydrophobicContact CD1-CD1 4.01Å; F113-I210 HydrophobicContact CE1-CD1 3.62Å; F113-I216 HydrophobicContact CB-CD1 4.4Å; F113-I216 HydrophobicContact CD1-CG2 4.12Å; F113-I216 HydrophobicContact CD2-CD1 4.06Å; F113-I216 HydrophobicContact CE1-CG2 4.11Å; F113-I216 HydrophobicContact CG-CD1 4.14Å |
| 114 | G | 87.1 | Confident | 80.5 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65.7 | -150.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K77 Y78 | K77-G114 CarbonylContact C-O 3.51Å; K77-G114 VanDerWaalsContact CA-O 3.24Å; K77-G114 WeakPolarHBondContact CA-O 3.3Å; Y78-G114 PolarHBondContact N-O 2.54Å; Y78-G114 PolarHBondContact O-N 2.89Å |
| 115 | S | 89.5 | Confident | 82.9 | Confident | 56 Ų | 56 | 41 Ų | 41 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.9 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | T163 | S115-T163 WeakPolarHBondContact O-CB 3.45Å; S115-T163 WeakPolarHBondContact O-CG2 3.39Å; S115-T163 PolarHBondContact O-N 2.91Å; S115-T163 PolarHBondContact O-OG1 3.23Å |
| 116 | L | 94.3 | Very high | 85.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148 | -174 | -61.2 | 172.3 | 0 | 0 | 0 | 110.9 | F9 F75 I76 F113 I160 V161 T162 I216 | F9-L116 HydrophobicContact CD2-CD1 4.28Å; F9-L116 HydrophobicContact CE2-CD1 3.31Å; F9-L116 HydrophobicContact CZ-CD1 3.54Å; F75-L116 HydrophobicContact CB-CB 4.44Å; F75-L116 WeakPolarHBondContact CB-O 3.28Å; F75-L116 HydrophobicContact CD1-CB 4.42Å; F75-L116 PolarHBondContact N-O 2.81Å; I76-L116 HydrophobicContact CG1-CD1 4.16Å; I76-L116 WeakPolarHBondContact O-CB 3.4Å; I76-L116 PolarHBondContact O-N 3.24Å; F113-L116 HydrophobicContact CB-CD1 4.39Å; F113-L116 HydrophobicContact CB-CD2 3.94Å; F113-L116 HydrophobicContact CB-CG 4.46Å; L116-I160 HydrophobicContact CB-CG2 4Å; L116-I160 HydrophobicContact CD1-CG2 4.1Å; L116-I160 HydrophobicContact CG-CG2 4.44Å; L116-V161 WeakPolarHBondContact CA-O 3.4Å; L116-T162 HydrophobicContact CD2-CG2 4.12Å; L116-I216 HydrophobicContact CD1-CD1 3.61Å; L116-I216 HydrophobicContact CD2-CD1 3.7Å; L116-I216 HydrophobicContact CG-CD1 4.29Å |
| 117 | K | 95.7 | Very high | 87.1 | Confident | 59 Ų | 59 | 40 Ų | 40 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.6 | 172.4 | -80.9 | 177.7 | 157.3 | -153.1 | 0 | 110.7 | D72 I73 D74 I160 V161 T163 | D72-K117 VanDerWaalsContact OD1-CD 3.31Å; D72-K117 WeakPolarHBondContact OD1-CD 3.47Å; D72-K117 IonicContact OD1-NZ 3.01Å; D72-K117 IonicContact OD2-NZ 3.37Å; D72-K117 PolarHBondContact OD2-NZ 2.99Å; I73-K117 CarbonylContact O-C 3.57Å; I73-K117 WeakPolarHBondContact O-CA 3.46Å; D74-K117 WeakPolarHBondContact OD1-CE 3.41Å; K117-I160 CarbonylContact O-C 3.48Å; K117-I160 WeakPolarHBondContact O-CA 3.32Å; K117-V161 HydrophobicContact CB-CG2 3.96Å; K117-V161 PolarHBondContact N-O 2.84Å; K117-V161 PolarHBondContact O-N 2.86Å; K117-T163 HydrophobicContact CB-CG2 4.14Å; K117-T163 HydrophobicContact CD-CG2 3.73Å; K117-T163 HydrophobicContact CG-CG2 3.63Å |
| 118 | K | 95.7 | Very high | 88.9 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.8 | 171.3 | -178.5 | -178.1 | -171.3 | -157.9 | 0 | 108.3 | I73 F75 E120 E158 R159 I160 | I73-K118 HydrophobicContact CB-CB 4.35Å; I73-K118 PolarHBondContact N-O 3.02Å; I73-K118 PolarHBondContact O-N 2.86Å; F75-K118 HydrophobicContact CB-CB 4.24Å; F75-K118 HydrophobicContact CD2-CB 4.42Å; F75-K118 HydrophobicContact CG-CB 4.47Å; K118-E120 WeakPolarHBondContact CE-OE2 3.44Å; K118-E120 IonicContact NZ-OE1 3.47Å; K118-E120 IonicContact NZ-OE2 3.09Å; K118-E120 PolarHBondContact NZ-OE2 2.81Å; K118-E158 WeakPolarHBondContact CE-OE2 3.4Å; K118-E158 IonicContact NZ-OE2 3.02Å; K118-E158 PolarHBondContact NZ-OE2 2.86Å; K118-R159 WeakPolarHBondContact CA-O 3.03Å; K118-I160 HydrophobicContact CB-CD1 3.74Å; K118-I160 HydrophobicContact CD-CD1 4.27Å; K118-I160 HydrophobicContact CG-CD1 3.73Å |
| 119 | H | 96.1 | Very high | 89.9 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.7 | 167.3 | -63.2 | 162.8 | 0 | 0 | 0 | 108.6 | V70 L71 D72 E158 R159 | V70-H119 HydrophobicContact CG1-CB 3.9Å; L71-H119 WeakPolarHBondContact O-CA 3.47Å; D72-H119 IonicContact OD1-CD2 3.85Å; D72-H119 PolarHBondContact OD1-CD2 2.86Å; D72-H119 IonicContact OD1-NE2 3.74Å; D72-H119 PolarHBondContact OD1-NE2 3.16Å; H119-E158 CarbonylContact O-C 3.58Å; H119-E158 WeakPolarHBondContact O-CA 3.41Å; H119-R159 HydrophobicContact CB-CG 3.81Å; H119-R159 PolarHBondContact N-O 3.43Å; H119-R159 PolarHBondContact O-N 3.15Å |
| 120 | E | 95.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.7 | -178.2 | -176.9 | 165.6 | -172 | 0 | 0 | 110.8 | L71 K118 E158 | L71-E120 PolarHBondContact N-O 2.92Å; L71-E120 PolarHBondContact O-N 2.96Å; K118-E120 WeakPolarHBondContact CE-OE2 3.44Å; K118-E120 IonicContact NZ-OE1 3.47Å; K118-E120 IonicContact NZ-OE2 3.09Å; K118-E120 PolarHBondContact NZ-OE2 2.81Å; E120-E158 HydrophobicContact CB-CB 4.26Å; E120-E158 HydrophobicContact CG-CB 4.19Å |
| 121 | A | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 138.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L31 P68 T69 V123 K157 | L31-A121 HydrophobicContact CD1-CB 4.37Å; L31-A121 HydrophobicContact CD2-CB 4.38Å; P68-A121 HydrophobicContact CB-CB 4.47Å; T69-A121 WeakPolarHBondContact O-CA 3.46Å; A121-V123 VanDerWaalsContact C-N 3.32Å; A121-V123 PolarHBondContact O-N 3.33Å; A121-K157 WeakPolarHBondContact CB-O 3.34Å; A121-K157 PolarHBondContact N-O 2.95Å |
| 122 | D | 94.1 | Very high | 92 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | trans | -66.3 | 90.3 | 168.2 | -177.9 | -20.6 | 0 | 0 | 0 | 109.7 | T69 P124 K125 L126 | T69-D122 PolarHBondContact O-N 3.22Å; D122-P124 WeakPolarHBondContact OD1-CD 3.21Å; D122-K125 HydrophobicContact CB-CB 3.96Å; D122-K125 VanDerWaalsContact CG-CB 3.4Å; D122-K125 PolarHBondContact O-N 3.09Å; D122-K125 WeakPolarHBondContact OD1-CB 3.42Å; D122-K125 PolarHBondContact OD1-N 3.48Å; D122-L126 WeakPolarHBondContact O-CB 3.26Å; D122-L126 PolarHBondContact O-N 2.91Å | ||
| 123 | V | 92.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | A121 K125 L126 M127 I221 | A121-V123 VanDerWaalsContact C-N 3.32Å; A121-V123 PolarHBondContact O-N 3.33Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 3.49Å; V123-L126 PolarHBondContact O-N 2.81Å; V123-M127 HydrophobicContact CG1-CG 4.34Å; V123-M127 WeakPolarHBondContact O-CB 3.31Å; V123-M127 VanDerWaalsContact O-CG 3.31Å; V123-M127 WeakPolarHBondContact O-CG 3.33Å; V123-M127 PolarHBondContact O-N 3Å; V123-I221 HydrophobicContact CG1-CD1 4.12Å |
| 124 | P | 93.1 | Very high | 92.8 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56.3 | -40.3 | 173.4 | -28.1 | 34.6 | 0 | 0 | 0 | 114.6 | D122 R128 | D122-P124 WeakPolarHBondContact OD1-CD 3.21Å; P124-R128 PolarHBondContact O-N 3.19Å |
| 125 | K | 93.2 | Very high | 93.2 | Very high | 62 Ų | 62 | 55 Ų | 55 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 174.6 | -176.4 | 173.9 | 168 | 179.3 | 0 | 111.4 | T69 D122 V123 M127 R128 E129 | T69-K125 WeakPolarHBondContact OG1-CD 3.43Å; T69-K125 VanDerWaalsContact OG1-CE 3.28Å; T69-K125 WeakPolarHBondContact OG1-CE 3.49Å; T69-K125 PolarHBondContact OG1-NZ 3.41Å; D122-K125 HydrophobicContact CB-CB 3.96Å; D122-K125 VanDerWaalsContact CG-CB 3.4Å; D122-K125 PolarHBondContact O-N 3.09Å; D122-K125 WeakPolarHBondContact OD1-CB 3.42Å; D122-K125 PolarHBondContact OD1-N 3.48Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 3.49Å; K125-M127 VanDerWaalsContact C-N 3.28Å; K125-M127 PolarHBondContact O-N 3.29Å; K125-R128 WeakPolarHBondContact O-CB 3.28Å; K125-R128 PolarHBondContact O-N 3.43Å; K125-E129 WeakPolarHBondContact CE-OE1 3.45Å; K125-E129 HydrophobicContact CG-CG 4.49Å; K125-E129 IonicContact NZ-OE1 2.73Å; K125-E129 PolarHBondContact O-N 3.47Å |
| 126 | L | 92.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57 | -41 | 177.6 | -177.8 | 61.6 | 0 | 0 | 0 | 112.1 | L32 I66 D122 V123 R128 E129 S130 I155 L233 | L32-L126 HydrophobicContact CD2-CD1 3.8Å; L32-L126 HydrophobicContact CD2-CD2 3.74Å; L32-L126 HydrophobicContact CD2-CG 4.44Å; I66-L126 HydrophobicContact CG2-CD1 3.58Å; D122-L126 WeakPolarHBondContact O-CB 3.26Å; D122-L126 PolarHBondContact O-N 2.91Å; V123-L126 PolarHBondContact O-N 2.81Å; L126-R128 VanDerWaalsContact C-N 3.35Å; L126-R128 PolarHBondContact O-N 3.05Å; L126-E129 PolarHBondContact O-N 3.21Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.26Å; L126-I155 HydrophobicContact CD2-CD1 3.98Å; L126-L233 HydrophobicContact CB-CD1 4.43Å; L126-L233 HydrophobicContact CD2-CD1 3.83Å; L126-L233 HydrophobicContact CG-CD1 3.74Å |
| 127 | M | 92.4 | Very high | 93.4 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 174.1 | -78.1 | -70.3 | -83.3 | 0 | 0 | 112.8 | V123 K125 K131 L233 | V123-M127 HydrophobicContact CG1-CG 4.34Å; V123-M127 WeakPolarHBondContact O-CB 3.31Å; V123-M127 VanDerWaalsContact O-CG 3.31Å; V123-M127 WeakPolarHBondContact O-CG 3.33Å; V123-M127 PolarHBondContact O-N 3Å; K125-M127 VanDerWaalsContact C-N 3.28Å; K125-M127 PolarHBondContact O-N 3.29Å; M127-K131 PolarHBondContact O-N 3.38Å; M127-L233 HydrophobicContact CG-CD1 3.99Å; M127-L233 HydrophobicContact SD-CB 3.46Å; M127-L233 WeakPolarHBondContact SD-CB 3.08Å; M127-L233 HydrophobicContact SD-CD1 3.59Å; M127-L233 VanDerWaalsContact SD-CD1 3.59Å; M127-L233 HydrophobicContact SD-CG 3.71Å |
| 128 | R | 92.1 | Very high | 93.3 | Very high | 183 Ų | 183 | 58 Ų | 58 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68 | -40.5 | 178 | -72.5 | -175.4 | -68.8 | 174.2 | -0.4 | 111.7 | P124 K125 L126 K131 | P124-R128 PolarHBondContact O-N 3.19Å; K125-R128 WeakPolarHBondContact O-CB 3.28Å; K125-R128 PolarHBondContact O-N 3.43Å; L126-R128 VanDerWaalsContact C-N 3.35Å; L126-R128 PolarHBondContact O-N 3.05Å; R128-K131 WeakPolarHBondContact O-CB 3.49Å; R128-K131 PolarHBondContact O-N 3.4Å |
| 129 | E | 91 | Very high | 93.3 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 30% | 0.304 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.9 | -29.6 | -179.8 | -69.3 | 176.4 | 173.1 | 0 | 0 | 112.8 | I66 K125 L126 K131 R133 | I66-E129 HydrophobicContact CG2-CB 4.25Å; K125-E129 WeakPolarHBondContact CE-OE1 3.45Å; K125-E129 HydrophobicContact CG-CG 4.49Å; K125-E129 IonicContact NZ-OE1 2.73Å; K125-E129 PolarHBondContact O-N 3.47Å; L126-E129 PolarHBondContact O-N 3.21Å; E129-K131 VanDerWaalsContact C-N 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.24Å |
| 130 | S | 91.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.9 | -16.5 | 176.2 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | L126 G132 R133 | L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.26Å; S130-G132 PolarHBondContact O-N 3.46Å; S130-R133 WeakPolarHBondContact O-CB 3.43Å; S130-R133 WeakPolarHBondContact O-CG 3.48Å; S130-R133 PolarHBondContact O-N 3.18Å; S130-R133 VanDerWaalsContact O-N 3.07Å |
| 131 | K | 90.6 | Very high | 93 | Very high | 179 Ų | 179 | 58 Ų | 58 | 78% | 0.778 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 122.1 | -173.2 | -170.9 | 178.3 | -178.1 | 179.4 | 0 | 111.5 | M127 R128 E129 R133 | M127-K131 PolarHBondContact O-N 3.38Å; R128-K131 WeakPolarHBondContact O-CB 3.49Å; R128-K131 PolarHBondContact O-N 3.4Å; E129-K131 VanDerWaalsContact C-N 3.31Å; K131-R133 PolarHBondContact O-N 2.94Å |
| 132 | G | 88.6 | Confident | 92.9 | Very high | 76 Ų | 76 | 58 Ų | 58 | 78% | 0.784 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S130 | S130-G132 PolarHBondContact O-N 3.46Š|
| 133 | R | 93.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.177 | 32% | 0.321 | C | S | . | . | trans | -74.5 | 150.2 | 167.6 | -56.6 | -67.3 | -71.7 | -150.6 | -7.4 | 108.9 | L60 G62 D63 P64 E129 S130 K131 F231 | L60-R133 HydrophobicContact CD2-CB 3.88Å; G62-R133 PolarHBondContact O-NH2 3.42Å; D63-R133 PolarHBondContact O-NH1 2.96Å; D63-R133 VanDerWaalsContact O-NH1 3.15Å; P64-R133 PolarHBondContact O-NH1 3.07Å; P64-R133 PolarHBondContact O-NH2 3.27Å; E129-R133 WeakPolarHBondContact O-CG 3.24Å; S130-R133 WeakPolarHBondContact O-CB 3.43Å; S130-R133 WeakPolarHBondContact O-CG 3.48Å; S130-R133 PolarHBondContact O-N 3.18Å; S130-R133 VanDerWaalsContact O-N 3.07Å; K131-R133 PolarHBondContact O-N 2.94Å; R133-F231 HydrophobicContact CB-CE1 3.99Å; R133-F231 HydrophobicContact CB-CZ 4.4Å | ||
| 134 | V | 95.4 | Very high | 92.5 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -126.7 | 148.6 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | A61 G229 Q230 | A61-V134 HydrophobicContact CB-CG2 3.92Å; A61-V134 PolarHBondContact N-O 3.45Å; V134-G229 CarbonylContact C-O 3.57Å; V134-G229 VanDerWaalsContact CA-O 3.31Å; V134-G229 WeakPolarHBondContact CA-O 3.39Å; V134-Q230 HydrophobicContact CG1-CG 3.98Å |
| 135 | L | 95.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 146.6 | 173.2 | -60.9 | 173.1 | 0 | 0 | 0 | 110.2 | L56 L59 L60 M137 I142 I225 G229 F231 | L56-L135 HydrophobicContact CD1-CD2 4.04Å; L59-L135 HydrophobicContact CB-CD2 3.93Å; L59-L135 CarbonylContact O-C 3.55Å; L59-L135 VanDerWaalsContact O-CA 3.23Å; L59-L135 WeakPolarHBondContact O-CA 3.45Å; L60-L135 HydrophobicContact CD2-CD2 4.13Å; L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 PolarHBondContact O-N 3.02Å; L135-I142 HydrophobicContact CB-CD1 3.81Å; L135-I142 HydrophobicContact CD1-CD1 4.31Å; L135-I142 HydrophobicContact CG-CD1 4.5Å; L135-I225 HydrophobicContact CD1-CB 4.5Å; L135-I225 HydrophobicContact CD1-CD1 3.57Å; L135-I225 HydrophobicContact CD1-CG1 3.76Å; L135-I225 HydrophobicContact CD1-CG2 3.91Å; L135-G229 PolarHBondContact N-O 2.76Å; L135-F231 HydrophobicContact CD1-CB 4.26Å; L135-F231 HydrophobicContact CD1-CD1 4.35Å; L135-F231 HydrophobicContact CD1-CG 4.4Å; L135-F231 HydrophobicContact CD2-CD1 4.08Å; L135-F231 HydrophobicContact CD2-CE1 4.17Å; L135-F231 HydrophobicContact CG-CD1 3.76Å; L135-F231 HydrophobicContact CG-CE1 4.3Å; L135-F231 HydrophobicContact CG-CG 4.28Å |
| 136 | D | 95.2 | Very high | 91.9 | Very high | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | trans | -71.3 | 93.7 | 167.5 | 178.5 | 9.4 | 0 | 0 | 0 | 109.5 | L59 A61 S138 H139 I142 | L59-D136 PolarHBondContact O-N 3.34Å; A61-D136 HydrophobicContact CB-CB 4.4Å; D136-S138 VanDerWaalsContact CG-OG 3.29Å; D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 WeakPolarHBondContact OD1-CA 3.44Å; D136-S138 VanDerWaalsContact OD1-CB 3.3Å; D136-S138 WeakPolarHBondContact OD1-CB 3.23Å; D136-S138 PolarHBondContact OD1-N 3.38Å; D136-S138 PolarHBondContact OD1-OG 3.25Å; D136-S138 PolarHBondContact OD2-OG 3.41Å; D136-H139 HydrophobicContact CB-CB 4.47Å; D136-H139 WeakPolarHBondContact O-CB 3.45Å; D136-H139 PolarHBondContact O-N 3.18Å; D136-I142 VanDerWaalsContact O-CD1 3.31Å; D136-I142 WeakPolarHBondContact O-CD1 3.46Å | ||
| 137 | M | 93.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 22% | 0.222 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9 | 179.6 | -61.1 | -55.6 | -70.9 | 0 | 0 | 113.6 | L135 I142 K146 I225 G229 | L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 PolarHBondContact O-N 3.02Å; M137-I142 HydrophobicContact CE-CG2 3.89Å; M137-I142 HydrophobicContact SD-CG2 3.93Å; M137-K146 HydrophobicContact CE-CD 4.48Å; M137-I225 HydrophobicContact CE-CG2 4.41Å; M137-I225 HydrophobicContact SD-CG2 4.28Å; M137-G229 WeakPolarHBondContact SD-CA 3.27Å |
| 138 | S | 93.4 | Very high | 90.6 | Very high | 78 Ų | 78 | 67.7 Ų | 67.7 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -11.2 | 171.9 | 80.1 | 0 | 0 | 0 | 0 | 113.5 | D136 S140 Q143 | D136-S138 VanDerWaalsContact CG-OG 3.29Å; D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 WeakPolarHBondContact OD1-CA 3.44Å; D136-S138 VanDerWaalsContact OD1-CB 3.3Å; D136-S138 WeakPolarHBondContact OD1-CB 3.23Å; D136-S138 PolarHBondContact OD1-N 3.38Å; D136-S138 PolarHBondContact OD1-OG 3.25Å; D136-S138 PolarHBondContact OD2-OG 3.41Å; S138-S140 PolarHBondContact O-N 3.22Å; S138-Q143 PolarHBondContact O-NE2 3.07Å |
| 139 | H | 95 | Very high | 89.5 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -62.4 | 131.8 | 179.5 | -168.7 | -78.2 | 0 | 0 | 0 | 111.3 | F54 L59 D136 L141 I142 Q143 | F54-H139 AromaticContact CD1-CE1 3.87Å; F54-H139 AromaticContact CD1-NE2 3.73Å; F54-H139 AromaticContact CE1-CE1 3.65Å; F54-H139 AromaticContact CE1-NE2 3.5Å; F54-H139 WeakPolarHBondContact CE1-NE2 3.35Å; F54-H139 AromaticContact CZ-CE1 3.83Å; L59-H139 HydrophobicContact CD2-CB 4.45Å; L59-H139 VanDerWaalsContact CD2-CE1 3.48Å; L59-H139 WeakPolarHBondContact CD2-CE1 3.26Å; L59-H139 WeakPolarHBondContact CD2-ND1 3.27Å; D136-H139 HydrophobicContact CB-CB 4.47Å; D136-H139 WeakPolarHBondContact O-CB 3.45Å; D136-H139 PolarHBondContact O-N 3.18Å; H139-L141 VanDerWaalsContact C-N 3.32Å; H139-L141 VanDerWaalsContact ND1-CB 3.35Å; H139-L141 WeakPolarHBondContact ND1-CB 3.2Å; H139-L141 PolarHBondContact ND1-N 3.29Å; H139-L141 VanDerWaalsContact ND1-N 3.16Å; H139-L141 PolarHBondContact O-N 2.95Å; H139-I142 HydrophobicContact CB-CB 4.5Å; H139-I142 HydrophobicContact CB-CD1 4.16Å; H139-I142 HydrophobicContact CB-CG1 4.37Å; H139-I142 WeakPolarHBondContact O-CB 3.42Å; H139-I142 PolarHBondContact O-N 2.68Å; H139-Q143 PolarHBondContact O-N 2.72Å; H139-Q143 VanDerWaalsContact O-N 3.1Å |
| 140 | S | 92.9 | Very high | 88.8 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | -173.4 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | S138 I142 Q143 Q144 | S138-S140 PolarHBondContact O-N 3.22Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 3.03Å; S140-Q143 PolarHBondContact O-N 3.05Å; S140-Q144 WeakPolarHBondContact O-CB 3.2Å; S140-Q144 VanDerWaalsContact O-CG 3.28Å; S140-Q144 WeakPolarHBondContact O-CG 3.05Å; S140-Q144 PolarHBondContact O-N 2.89Å |
| 141 | L | 92.8 | Very high | 88.6 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.8 | -173.4 | 67.9 | 0 | 0 | 0 | 111.9 | V34 T52 F54 L59 H139 T145 F153 | V34-L141 HydrophobicContact CG1-CD2 4.31Å; T52-L141 HydrophobicContact CG2-CD1 4.24Å; T52-L141 HydrophobicContact CG2-CD2 4.14Å; F54-L141 HydrophobicContact CB-CD2 4.31Å; F54-L141 HydrophobicContact CD2-CD2 3.77Å; F54-L141 HydrophobicContact CE2-CD2 4.48Å; F54-L141 HydrophobicContact CG-CD2 4.28Å; L59-L141 HydrophobicContact CD1-CD2 4.34Å; L59-L141 HydrophobicContact CD2-CD2 4.28Å; H139-L141 VanDerWaalsContact C-N 3.32Å; H139-L141 VanDerWaalsContact ND1-CB 3.35Å; H139-L141 WeakPolarHBondContact ND1-CB 3.2Å; H139-L141 PolarHBondContact ND1-N 3.29Å; H139-L141 VanDerWaalsContact ND1-N 3.16Å; H139-L141 PolarHBondContact O-N 2.95Å; L141-T145 VanDerWaalsContact O-CB 3.27Å; L141-T145 WeakPolarHBondContact O-CB 2.9Å; L141-T145 PolarHBondContact O-N 2.81Å; L141-T145 PolarHBondContact O-OG1 2.84Å; L141-F153 HydrophobicContact CD2-CE1 3.87Å; L141-F153 HydrophobicContact CD2-CZ 4.16Å; L141-F153 HydrophobicContact CG-CE1 3.88Å; L141-F153 HydrophobicContact CG-CZ 3.83Å |
| 142 | I | 92.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.3 | -46.7 | -179 | -69.1 | 173 | 0 | 0 | 0 | 109.9 | L59 L135 D136 M137 H139 S140 T145 K146 F153 F241 | L59-I142 HydrophobicContact CB-CD1 4.21Å; L59-I142 HydrophobicContact CD1-CD1 4.41Å; L59-I142 HydrophobicContact CD1-CG1 4.37Å; L59-I142 HydrophobicContact CD2-CD1 4.44Å; L59-I142 HydrophobicContact CD2-CG1 4.5Å; L135-I142 HydrophobicContact CB-CD1 3.81Å; L135-I142 HydrophobicContact CD1-CD1 4.31Å; L135-I142 HydrophobicContact CG-CD1 4.5Å; D136-I142 VanDerWaalsContact O-CD1 3.31Å; D136-I142 WeakPolarHBondContact O-CD1 3.46Å; M137-I142 HydrophobicContact CE-CG2 3.89Å; M137-I142 HydrophobicContact SD-CG2 3.93Å; H139-I142 HydrophobicContact CB-CB 4.5Å; H139-I142 HydrophobicContact CB-CD1 4.16Å; H139-I142 HydrophobicContact CB-CG1 4.37Å; H139-I142 WeakPolarHBondContact O-CB 3.42Å; H139-I142 PolarHBondContact O-N 2.68Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 3.03Å; I142-T145 PolarHBondContact O-N 3.22Å; I142-K146 VanDerWaalsContact O-CB 3.31Å; I142-K146 WeakPolarHBondContact O-CB 3.36Å; I142-K146 PolarHBondContact O-N 2.95Å; I142-F153 HydrophobicContact CB-CE2 4.29Å; I142-F153 HydrophobicContact CG1-CE2 3.78Å; I142-F153 HydrophobicContact CG1-CZ 4.16Å; I142-F241 HydrophobicContact CG2-CE1 4.16Å |
| 143 | Q | 90.7 | Very high | 88.9 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 177.9 | -67.2 | -179.1 | -12.6 | 0 | 0 | 111.7 | S138 H139 S140 T145 K146 E147 | S138-Q143 PolarHBondContact O-NE2 3.07Å; H139-Q143 PolarHBondContact O-N 2.72Å; H139-Q143 VanDerWaalsContact O-N 3.1Å; S140-Q143 PolarHBondContact O-N 3.05Å; Q143-T145 VanDerWaalsContact C-N 3.26Å; Q143-T145 PolarHBondContact O-N 2.76Å; Q143-K146 PolarHBondContact O-N 2.85Å; Q143-E147 WeakPolarHBondContact O-CG 3.13Å; Q143-E147 PolarHBondContact O-N 3.35Å; Q143-E147 VanDerWaalsContact O-N 3.08Å |
| 144 | Q | 86.9 | Confident | 89 | Confident | 109 Ų | 109 | 55 Ų | 55 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 179.7 | -70.4 | 178.2 | 7.5 | 0 | 0 | 113.5 | S140 | S140-Q144 WeakPolarHBondContact O-CB 3.2Å; S140-Q144 VanDerWaalsContact O-CG 3.28Å; S140-Q144 WeakPolarHBondContact O-CG 3.05Å; S140-Q144 PolarHBondContact O-N 2.89Å |
| 145 | T | 87.3 | Confident | 89 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -80.2 | -39.5 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | V36 L141 I142 Q143 E147 K148 N151 F153 F241 | V36-T145 HydrophobicContact CG1-CG2 4.23Å; L141-T145 VanDerWaalsContact O-CB 3.27Å; L141-T145 WeakPolarHBondContact O-CB 2.9Å; L141-T145 PolarHBondContact O-N 2.81Å; L141-T145 PolarHBondContact O-OG1 2.84Å; I142-T145 PolarHBondContact O-N 3.22Å; Q143-T145 VanDerWaalsContact C-N 3.26Å; Q143-T145 PolarHBondContact O-N 2.76Å; T145-E147 PolarHBondContact O-N 2.91Å; T145-K148 CarbonylContact O-C 3.59Å; T145-K148 PolarHBondContact O-N 3.3Å; T145-K148 VanDerWaalsContact O-N 3.09Å; T145-K148 VanDerWaalsContact O-O 3.05Å; T145-N151 HydrophobicContact CG2-CB 3.5Å; T145-F153 VanDerWaalsContact CB-CZ 3.48Å; T145-F153 HydrophobicContact CG2-CD1 4.37Å; T145-F153 HydrophobicContact CG2-CD2 4.36Å; T145-F153 HydrophobicContact CG2-CE1 3.97Å; T145-F153 HydrophobicContact CG2-CE2 4Å; T145-F153 HydrophobicContact CG2-CZ 3.77Å; T145-F153 VanDerWaalsContact OG1-CZ 3.26Å; T145-F153 WeakPolarHBondContact OG1-CZ 3.47Å; T145-F241 HydrophobicContact CG2-CE2 3.9Å; T145-F241 HydrophobicContact CG2-CZ 4.32Å |
| 146 | K | 85.8 | Confident | 89 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 177 | -174.9 | 177.1 | -177.3 | 174.7 | 0 | 112.3 | M137 I142 Q143 K148 N227 F241 | M137-K146 HydrophobicContact CE-CD 4.48Å; I142-K146 VanDerWaalsContact O-CB 3.31Å; I142-K146 WeakPolarHBondContact O-CB 3.36Å; I142-K146 PolarHBondContact O-N 2.95Å; Q143-K146 PolarHBondContact O-N 2.85Å; K146-K148 PolarHBondContact O-N 2.94Å; K146-N227 PolarHBondContact NZ-OD1 3.47Å; K146-F241 HydrophobicContact CB-CD1 4.15Å; K146-F241 HydrophobicContact CB-CE1 3.99Å; K146-F241 HydrophobicContact CB-CE2 4.38Å; K146-F241 HydrophobicContact CB-CG 4.39Å; K146-F241 HydrophobicContact CB-CZ 4.09Å; K146-F241 HydrophobicContact CD-CD1 4.32Å; K146-F241 HydrophobicContact CG-CD1 4.02Å; K146-F241 HydrophobicContact CG-CE1 4.35Å; K146-F241 HydrophobicContact CG-CG 4.18Å |
| 147 | E | 81.1 | Confident | 89 | Confident | 155 Ų | 155 | 51.5 Ų | 51.5 | 72% | 0.724 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.1 | 174.2 | -73.7 | 172.6 | -177.8 | 0 | 0 | 112.3 | Q143 T145 Q149 | Q143-E147 WeakPolarHBondContact O-CG 3.13Å; Q143-E147 PolarHBondContact O-N 3.35Å; Q143-E147 VanDerWaalsContact O-N 3.08Å; T145-E147 PolarHBondContact O-N 2.91Å; E147-Q149 PolarHBondContact O-N 3.49Å |
| 148 | K | 76.3 | Confident | 89.1 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -93.3 | 91.2 | 178.4 | -66 | 174.4 | -173.8 | 164.9 | 0 | 110 | T145 K146 K150 N151 L313 | T145-K148 CarbonylContact O-C 3.59Å; T145-K148 PolarHBondContact O-N 3.3Å; T145-K148 VanDerWaalsContact O-N 3.09Å; T145-K148 VanDerWaalsContact O-O 3.05Å; K146-K148 PolarHBondContact O-N 2.94Å; K148-K150 PolarHBondContact O-N 3.01Å; K148-N151 HydrophobicContact CB-CB 4.26Å; K148-N151 PolarHBondContact O-N 3.36Å; K148-L313 HydrophobicContact CD-CD2 4.42Å |
| 149 | Q | 69.6 | Low | 89.2 | Confident | 174 Ų | 174 | 47.3 Ų | 47.3 | 81% | 0.813 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -18.4 | -178.3 | -63 | -176.9 | -3.9 | 0 | 0 | 115.5 | E147 | E147-Q149 PolarHBondContact O-N 3.49Š|
| 150 | K | 76.6 | Confident | 89.3 | Confident | 105 Ų | 105 | 45.9 Ų | 45.9 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1.8 | 176.4 | -70.6 | -171.7 | 176.3 | -178 | 0 | 114.2 | K39 K148 | K39-K150 WeakPolarHBondContact CA-O 2.91Å; K39-K150 HydrophobicContact CB-CB 4.2Å; K39-K150 WeakPolarHBondContact CB-O 3.27Å; K39-K150 WeakPolarHBondContact CG-O 3.39Å; K39-K150 PolarHBondContact N-O 3.46Å; K148-K150 PolarHBondContact O-N 3.01Å |
| 151 | N | 86.3 | Confident | 89.4 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.5 | -177.3 | -70.7 | 3.7 | 0 | 0 | 0 | 111.9 | V36 H38 T145 K148 | V36-N151 HydrophobicContact CG1-CB 3.85Å; H38-N151 PolarHBondContact CD2-OD1 3.21Å; H38-N151 PolarHBondContact NE2-ND2 3.17Å; H38-N151 PolarHBondContact NE2-OD1 2.67Å; T145-N151 HydrophobicContact CG2-CB 3.5Å; K148-N151 HydrophobicContact CB-CB 4.26Å; K148-N151 PolarHBondContact O-N 3.36Å |
| 152 | V | 90.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.5 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | K37 K39 E222 | K37-V152 HydrophobicContact CB-CB 4.38Å; K37-V152 PolarHBondContact N-O 3.4Å; K37-V152 PolarHBondContact O-N 3.13Å; K39-V152 HydrophobicContact CD-CG2 4.38Å; K39-V152 VanDerWaalsContact CE-CG2 3.42Å; K39-V152 HydrophobicContact CG-CG2 4.16Å; V152-E222 HydrophobicContact CG1-CB 4.13Å; V152-E222 HydrophobicContact CG1-CG 4.17Å |
| 153 | F | 94.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.8 | 168.6 | -76.9 | -54.5 | 0 | 0 | 0 | 110.5 | V34 V36 L141 I142 T145 L223 I225 F241 | V34-F153 HydrophobicContact CG1-CD1 3.46Å; V34-F153 VanDerWaalsContact CG1-CD1 3.46Å; V34-F153 HydrophobicContact CG1-CE1 3.82Å; V34-F153 HydrophobicContact CG1-CG 4.34Å; V36-F153 HydrophobicContact CG2-CD1 4Å; V36-F153 HydrophobicContact CG2-CE1 3.73Å; L141-F153 HydrophobicContact CD2-CE1 3.87Å; L141-F153 HydrophobicContact CD2-CZ 4.16Å; L141-F153 HydrophobicContact CG-CE1 3.88Å; L141-F153 HydrophobicContact CG-CZ 3.83Å; I142-F153 HydrophobicContact CB-CE2 4.29Å; I142-F153 HydrophobicContact CG1-CE2 3.78Å; I142-F153 HydrophobicContact CG1-CZ 4.16Å; T145-F153 VanDerWaalsContact CB-CZ 3.48Å; T145-F153 HydrophobicContact CG2-CD1 4.37Å; T145-F153 HydrophobicContact CG2-CD2 4.36Å; T145-F153 HydrophobicContact CG2-CE1 3.97Å; T145-F153 HydrophobicContact CG2-CE2 4Å; T145-F153 HydrophobicContact CG2-CZ 3.77Å; T145-F153 VanDerWaalsContact OG1-CZ 3.26Å; T145-F153 WeakPolarHBondContact OG1-CZ 3.47Å; F153-L223 HydrophobicContact CB-CB 4.31Å; F153-L223 HydrophobicContact CB-CD1 3.95Å; F153-L223 HydrophobicContact CB-CG 4.23Å; F153-L223 PolarHBondContact O-N 2.71Å; F153-I225 HydrophobicContact CB-CD1 4.16Å; F153-I225 HydrophobicContact CD2-CD1 3.55Å; F153-I225 HydrophobicContact CE2-CD1 4.46Å; F153-I225 HydrophobicContact CG-CD1 4.35Å; F153-F241 HydrophobicContact CD2-CE1 4.49Å; F153-F241 HydrophobicContact CD2-CE2 4.18Å; F153-F241 AromaticContact CD2-CZ 3.62Å; F153-F241 HydrophobicContact CD2-CZ 3.62Å; F153-F241 HydrophobicContact CE2-CE1 4.46Å; F153-F241 HydrophobicContact CE2-CE2 4.33Å; F153-F241 AromaticContact CE2-CZ 3.56Å; F153-F241 HydrophobicContact CE2-CZ 3.56Å |
| 154 | A | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 162.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V34 V35 I220 I221 E222 | V34-A154 WeakPolarHBondContact CA-O 3.49Å; V35-A154 PolarHBondContact N-O 2.97Å; V35-A154 PolarHBondContact O-N 3.32Å; A154-I220 HydrophobicContact CB-CB 4Å; A154-I220 HydrophobicContact CB-CD1 3.66Å; A154-I220 HydrophobicContact CB-CG1 4.3Å; A154-I221 CarbonylContact C-O 3.48Å; A154-I221 WeakPolarHBondContact CA-O 3.39Å; A154-I221 WeakPolarHBondContact CB-O 3.45Å; A154-E222 HydrophobicContact CB-CG 4.26Å |
| 155 | I | 96.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.8 | 174.4 | 63.6 | 178.9 | 0 | 0 | 0 | 109.8 | L32 T33 V34 L56 L126 K157 I220 I221 L223 L233 | L32-I155 HydrophobicContact CD2-CD1 4Å; T33-I155 CarbonylContact O-C 3.55Å; T33-I155 VanDerWaalsContact O-CA 3.3Å; T33-I155 WeakPolarHBondContact O-CA 3.29Å; V34-I155 HydrophobicContact CG2-CG2 4.25Å; L56-I155 HydrophobicContact CB-CG2 4.2Å; L56-I155 HydrophobicContact CD1-CG2 4.43Å; L56-I155 HydrophobicContact CD2-CD1 4.04Å; L126-I155 HydrophobicContact CD2-CD1 3.98Å; I155-K157 PolarHBondContact O-N 3.44Å; I155-I220 CarbonylContact O-C 3.41Å; I155-I220 WeakPolarHBondContact O-CA 3.4Å; I155-I221 HydrophobicContact CD1-CG2 3.92Å; I155-I221 HydrophobicContact CG1-CG2 3.4Å; I155-I221 PolarHBondContact N-O 3.38Å; I155-I221 PolarHBondContact O-N 3.19Å; I155-L223 HydrophobicContact CD1-CD2 4.45Å; I155-L223 HydrophobicContact CG1-CD2 4.47Å; I155-L223 HydrophobicContact CG2-CD1 4.25Å; I155-L223 HydrophobicContact CG2-CD2 4.33Å; I155-L233 HydrophobicContact CD1-CD2 3.65Å; I155-L233 HydrophobicContact CG1-CD2 4.42Å |
| 156 | V | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | E30 L31 L32 T33 V35 E158 Y218 | E30-V156 VanDerWaalsContact O-CB 3.31Å; E30-V156 WeakPolarHBondContact O-CB 3.22Å; L31-V156 HydrophobicContact CD2-CG1 4.33Å; L32-V156 PolarHBondContact N-O 3.25Å; T33-V156 PolarHBondContact O-N 3.1Å; V35-V156 HydrophobicContact CG2-CG2 3.86Å; V156-E158 WeakPolarHBondContact CG1-O 3.31Å; V156-Y218 HydrophobicContact CG2-CD2 4.05Å |
| 157 | K | 95.1 | Very high | 89.2 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -25 | 177.9 | 76.9 | 177.3 | -179.5 | 76.3 | 0 | 112.8 | L31 A121 I155 G219 I220 I221 | L31-K157 WeakPolarHBondContact CD2-O 3.36Å; A121-K157 WeakPolarHBondContact CB-O 3.34Å; A121-K157 PolarHBondContact N-O 2.95Å; I155-K157 PolarHBondContact O-N 3.44Å; K157-G219 PolarHBondContact N-O 2.82Å; K157-I220 WeakPolarHBondContact CD-O 3.45Å; K157-I220 WeakPolarHBondContact CE-O 3.48Å; K157-I221 HydrophobicContact CB-CB 4.46Å; K157-I221 HydrophobicContact CB-CG2 4.15Å; K157-I221 HydrophobicContact CD-CB 4.16Å |
| 158 | E | 95.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.3 | -179.5 | 68.9 | -165 | 150.7 | 0 | 0 | 110.6 | L19 K118 H119 E120 V156 Y218 G219 | L19-E158 HydrophobicContact CD2-CG 4.39Å; K118-E158 WeakPolarHBondContact CE-OE2 3.4Å; K118-E158 IonicContact NZ-OE2 3.02Å; K118-E158 PolarHBondContact NZ-OE2 2.86Å; H119-E158 CarbonylContact O-C 3.58Å; H119-E158 WeakPolarHBondContact O-CA 3.41Å; E120-E158 HydrophobicContact CB-CB 4.26Å; E120-E158 HydrophobicContact CG-CB 4.19Å; V156-E158 WeakPolarHBondContact CG1-O 3.31Å; E158-Y218 CarbonylContact O-C 2.91Å; E158-Y218 VanDerWaalsContact O-CA 3.29Å; E158-Y218 WeakPolarHBondContact O-CA 3.47Å; E158-Y218 WeakPolarHBondContact O-CB 3.31Å; E158-G219 PolarHBondContact N-O 3.05Å; E158-G219 PolarHBondContact O-N 2.91Å |
| 159 | R | 96 | Very high | 89.3 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.9 | 177.1 | 62 | -179.1 | -174.4 | 160.1 | -3.7 | 112.2 | M29 E30 K118 H119 V161 T215 A217 | M29-R159 WeakPolarHBondContact O-CD 3.38Å; M29-R159 PolarHBondContact O-NH1 2.97Å; M29-R159 VanDerWaalsContact O-NH1 3.17Å; E30-R159 VanDerWaalsContact CD-NH2 3.31Å; E30-R159 IonicContact OE1-CZ 2.54Å; E30-R159 IonicContact OE1-NH1 3.37Å; E30-R159 PolarHBondContact OE1-NH1 3.09Å; E30-R159 IonicContact OE1-NH2 2.68Å; E30-R159 PolarHBondContact OE1-NH2 3Å; E30-R159 IonicContact OE2-CZ 3.19Å; E30-R159 IonicContact OE2-NH1 2.78Å; E30-R159 PolarHBondContact OE2-NH1 3.42Å; E30-R159 IonicContact OE2-NH2 2.72Å; E30-R159 PolarHBondContact OE2-NH2 2.7Å; K118-R159 WeakPolarHBondContact CA-O 3.03Å; H119-R159 HydrophobicContact CB-CG 3.81Å; H119-R159 PolarHBondContact N-O 3.43Å; H119-R159 PolarHBondContact O-N 3.15Å; R159-V161 HydrophobicContact CG-CG1 4.07Å; R159-T215 HydrophobicContact CB-CG2 3.79Å; R159-A217 CarbonylContact C-O 3.27Å; R159-A217 WeakPolarHBondContact CA-O 3.32Å |
| 160 | I | 95.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.1 | 174.1 | -50.5 | -57.5 | 0 | 0 | 0 | 108.1 | F9 L19 F75 L116 K117 K118 T215 I216 A217 | F9-I160 HydrophobicContact CE1-CG2 4.28Å; F9-I160 HydrophobicContact CZ-CG2 4.02Å; L19-I160 HydrophobicContact CD1-CG1 4.11Å; F75-I160 HydrophobicContact CD1-CD1 4.06Å; F75-I160 HydrophobicContact CD1-CG2 4.05Å; F75-I160 HydrophobicContact CE1-CD1 4.18Å; F75-I160 HydrophobicContact CG-CD1 4.27Å; F75-I160 HydrophobicContact CZ-CD1 4.47Å; L116-I160 HydrophobicContact CB-CG2 4Å; L116-I160 HydrophobicContact CD1-CG2 4.1Å; L116-I160 HydrophobicContact CG-CG2 4.44Å; K117-I160 CarbonylContact O-C 3.48Å; K117-I160 WeakPolarHBondContact O-CA 3.32Å; K118-I160 HydrophobicContact CB-CD1 3.74Å; K118-I160 HydrophobicContact CD-CD1 4.27Å; K118-I160 HydrophobicContact CG-CD1 3.73Å; I160-T215 CarbonylContact O-C 3.57Å; I160-T215 WeakPolarHBondContact O-CA 3.33Å; I160-I216 HydrophobicContact CB-CG1 4.04Å; I160-I216 HydrophobicContact CG2-CD1 3.99Å; I160-I216 HydrophobicContact CG2-CG1 3.89Å; I160-I216 WeakPolarHBondContact O-CG1 3.46Å; I160-I216 PolarHBondContact O-N 2.74Å; I160-A217 HydrophobicContact CB-CB 4.31Å; I160-A217 HydrophobicContact CG1-CB 4.18Å; I160-A217 PolarHBondContact N-O 3.06Å |
| 161 | V | 95.4 | Very high | 89 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.4 | -173.9 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | L116 K117 R159 T214 | L116-V161 WeakPolarHBondContact CA-O 3.4Å; K117-V161 HydrophobicContact CB-CG2 3.96Å; K117-V161 PolarHBondContact N-O 2.84Å; K117-V161 PolarHBondContact O-N 2.86Å; R159-V161 HydrophobicContact CG-CG1 4.07Å; V161-T214 CarbonylContact C-O 3.56Å; V161-T214 VanDerWaalsContact CA-O 3.29Å; V161-T214 WeakPolarHBondContact CA-O 3.49Å |
| 162 | T | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.9 | 170.7 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | L116 I210 P211 P212 H213 T214 I216 | L116-T162 HydrophobicContact CD2-CG2 4.12Å; T162-I210 HydrophobicContact CG2-CG2 4.29Å; T162-P211 PolarHBondContact OG1-O 3.3Å; T162-P212 WeakPolarHBondContact OG1-CA 3.3Å; T162-H213 VanDerWaalsContact O-CA 3.28Å; T162-H213 WeakPolarHBondContact O-CA 3.48Å; T162-H213 PolarHBondContact O-N 3.42Å; T162-H213 PolarHBondContact OG1-N 3.16Å; T162-H213 VanDerWaalsContact OG1-N 3.14Å; T162-T214 PolarHBondContact N-O 3.21Å; T162-T214 PolarHBondContact OG1-N 2.7Å; T162-I216 HydrophobicContact CG2-CG2 3.95Å |
| 163 | T | 91.4 | Very high | 86.1 | Confident | 39 Ų | 39 | 32 Ų | 32 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -102.3 | -20.5 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | S115 K117 | S115-T163 WeakPolarHBondContact O-CB 3.45Å; S115-T163 WeakPolarHBondContact O-CG2 3.39Å; S115-T163 PolarHBondContact O-N 2.91Å; S115-T163 PolarHBondContact O-OG1 3.23Å; K117-T163 HydrophobicContact CB-CG2 4.14Å; K117-T163 HydrophobicContact CD-CG2 3.73Å; K117-T163 HydrophobicContact CG-CG2 3.63Å |
| 164 | Q | 88.4 | Confident | 83.6 | Confident | 131 Ų | 131 | 35.7 Ų | 35.7 | 61% | 0.612 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -140.7 | 159.2 | -175.9 | -63.9 | -175.9 | 1.9 | 0 | 0 | 109.2 | C166 | Q164-C166 PolarHBondContact O-N 2.69Š|
| 165 | P | 89.2 | Confident | 80.8 | Confident | 104 Ų | 104 | 40.2 Ų | 40.2 | 68% | 0.675 | 21% | 0.208 | S | C | * | . | trans | -51.9 | 134.8 | 167.1 | -19.9 | 28.2 | 0 | 0 | 0 | 110.7 | I210 | P165-I210 CarbonylContact C-O 3.59Å; P165-I210 WeakPolarHBondContact CA-O 3.27Å | ||
| 166 | C | 87.1 | Confident | 78 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 177.4 | -177.5 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | S112 Q164 I210 | S112-C166 VanDerWaalsContact O-CB 3.26Å; S112-C166 WeakPolarHBondContact O-CB 3.48Å; Q164-C166 PolarHBondContact O-N 2.69Å; C166-I210 PolarHBondContact N-O 2.99Å; C166-I210 PolarHBondContact O-N 3.16Å |
| 167 | S | 82.7 | Confident | 74.8 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.6 | -172.4 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | S112 M208 | S112-S167 PolarHBondContact N-O 3.09Å; S112-S167 PolarHBondContact O-N 2.94Å; S112-S167 VanDerWaalsContact O-O 3.12Å; S167-M208 CarbonylContact C-O 3.54Å; S167-M208 VanDerWaalsContact CA-O 3.23Å; S167-M208 WeakPolarHBondContact CA-O 3.35Å; S167-M208 WeakPolarHBondContact CB-O 3.35Å |
| 168 | V | 81.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.5 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | M1 A5 L109 Q110 F113 M208 I210 | M1-V168 HydrophobicContact CB-CG1 4.17Å; A5-V168 HydrophobicContact CB-CG1 4.01Å; A5-V168 HydrophobicContact CB-CG2 3.7Å; L109-V168 HydrophobicContact CD1-CG1 3.51Å; L109-V168 HydrophobicContact CG-CG1 4.07Å; Q110-V168 CarbonylContact O-C 3.45Å; Q110-V168 WeakPolarHBondContact O-CA 3.47Å; F113-V168 HydrophobicContact CE1-CG2 4.16Å; F113-V168 HydrophobicContact CZ-CG2 4.47Å; V168-M208 PolarHBondContact N-O 3.08Å; V168-M208 PolarHBondContact O-N 3.29Å; V168-I210 HydrophobicContact CG2-CD1 3.77Å |
| 169 | I | 77.4 | Confident | 68.8 | Low | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.1 | -175.4 | -55.8 | 171.9 | 0 | 0 | 0 | 107.9 | L109 Q110 V206 T207 | L109-I169 CarbonylContact C-O 3.49Å; L109-I169 WeakPolarHBondContact CA-O 3.34Å; Q110-I169 HydrophobicContact CB-CB 4.4Å; Q110-I169 PolarHBondContact N-O 3.21Å; Q110-I169 PolarHBondContact O-N 3.38Å; I169-V206 WeakPolarHBondContact CA-O 3.43Å; I169-T207 HydrophobicContact CG1-CG2 4.06Å |
| 170 | E | 73.2 | Confident | 65.7 | Low | 49 Ų | 49 | 61.5 Ų | 61.5 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 111.5 | 171.2 | -172.5 | 173.3 | -174.4 | 0 | 0 | 109.5 | M1 K108 L109 V172 N205 V206 | M1-E170 HydrophobicContact CG-CB 3.88Å; M1-E170 WeakPolarHBondContact CG-OE2 3.41Å; M1-E170 HydrophobicContact SD-CB 3.57Å; M1-E170 VanDerWaalsContact SD-CB 3.57Å; K108-E170 CarbonylContact O-C 3.59Å; K108-E170 WeakPolarHBondContact O-CA 3.14Å; L109-E170 HydrophobicContact CD1-CB 3.91Å; L109-E170 HydrophobicContact CD1-CG 4.35Å; E170-V172 HydrophobicContact CG-CG2 4.07Å; E170-N205 CarbonylContact O-C 3.56Å; E170-N205 WeakPolarHBondContact O-CA 3.43Å; E170-V206 PolarHBondContact N-O 2.97Å; E170-V206 PolarHBondContact O-N 3.42Å |
| 171 | D | 67.4 | Low | 62.4 | Low | 48 Ų | 48 | 66.2 Ų | 66.2 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.8 | 173.9 | -66.7 | -22.9 | 0 | 0 | 0 | 108.8 | S107 K108 N205 | S107-D171 CarbonylContact C-O 3.49Å; S107-D171 VanDerWaalsContact CA-O 3.26Å; S107-D171 WeakPolarHBondContact CA-O 3.32Å; K108-D171 HydrophobicContact CB-CB 4.31Å; K108-D171 PolarHBondContact N-O 3.5Å; K108-D171 PolarHBondContact O-N 3.09Å; D171-N205 PolarHBondContact OD1-ND2 3.02Å; D171-N205 PolarHBondContact OD1-OD1 3.21Å |
| 172 | V | 60.7 | Low | 59.3 | Low | 27 Ų | 27 | 74.6 Ų | 74.6 | 16% | 0.164 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.4 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | E170 S204 | E170-V172 HydrophobicContact CG-CG2 4.07Å; V172-S204 PolarHBondContact N-O 3.19Å; V172-S204 PolarHBondContact O-N 3.14Å; V172-S204 VanDerWaalsContact O-N 3.16Å |
| 173 | Q | 55 | Low | 56.4 | Low | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.2 | 169.8 | -66.4 | -173.7 | -22.4 | 0 | 0 | 109.2 | S106 | S106-Q173 PolarHBondContact N-O 3.28Å; S106-Q173 VanDerWaalsContact N-O 3.13Å; S106-Q173 PolarHBondContact O-N 3.21Å |
| 174 | Q | 43.5 | Very low | 53.5 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.3 | 176.7 | -110.8 | 173.1 | 11.9 | 0 | 0 | 110.5 | D105 K202 | D105-Q174 WeakPolarHBondContact OD1-CG 3.2Å; D105-Q174 PolarHBondContact OD2-NE2 2.78Å; Q174-K202 PolarHBondContact N-O 2.94Å; Q174-K202 PolarHBondContact O-N 3.46Å |
| 175 | Q | 35.7 | Very low | 50.7 | Low | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 92.5 | -178.2 | -170.9 | 143.2 | 93.3 | 0 | 0 | 111.8 | E104 K199 | E104-Q175 PolarHBondContact O-N 2.74Å; Q175-K199 HydrophobicContact CG-CD 4.49Å; Q175-K199 VanDerWaalsContact OE1-CE 3.32Å |
| 176 | G | 37.1 | Very low | 47.8 | Very low | 43 Ų | 43 | 84.7 Ų | 84.7 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 177 | L | 30.4 | Very low | 45.4 | Very low | 152 Ų | 152 | 89.7 Ų | 89.7 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | trans | -97.6 | 109.2 | 160.3 | -89.8 | 155.5 | 0 | 0 | 0 | 108.5 | A179 | L177-A179 PolarHBondContact O-N 2.86Š| ||
| 178 | L | 33 | Very low | 42.9 | Very low | 150 Ų | 150 | 97.3 Ų | 97.3 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | trans | -81.6 | 97.7 | 173.8 | -72.4 | 174.1 | 0 | 0 | 0 | 110.3 | G180 | L178-G180 PolarHBondContact O-N 2.96Š| ||
| 179 | A | 30.8 | Very low | 40.6 | Very low | 101 Ų | 101 | 103 Ų | 103 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | -80.7 | 98.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L177 | L177-A179 PolarHBondContact O-N 2.86Š| ||
| 180 | G | 31 | Very low | 38.6 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 41.4 | 85.5 | 157 | 0 | 0 | 0 | 0 | 0 | 119.4 | L178 | L178-G180 PolarHBondContact O-N 2.96Š|
| 181 | S | 27.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -157.5 | 121.3 | 144 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | I183 | S181-I183 PolarHBondContact O-N 2.8Š| ||
| 182 | L | 29.5 | Very low | 34.7 | Very low | 179 Ų | 179 | 112.6 Ų | 112.6 | 94% | 0.937 | 68% | 0.676 | S | S | * | * | trans | -81.6 | 105.8 | 178.3 | -69.6 | 163.2 | 0 | 0 | 0 | 109 | ||||
| 183 | I | 32.3 | Very low | 33.3 | Very low | 141 Ų | 141 | 116.5 Ų | 116.5 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | trans | -122.8 | 122.3 | 162.7 | -55.9 | 178.8 | 0 | 0 | 0 | 108.2 | S181 | S181-I183 PolarHBondContact O-N 2.8Š| ||
| 184 | P | 29.8 | Very low | 32 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | -89 | 114.9 | -179 | 32.6 | -28 | 0 | 0 | 0 | 110.5 | ||||
| 185 | C | 31 | Very low | 31.9 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -138.5 | 111.6 | 162.3 | -80.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 186 | A | 28.6 | Very low | 31.9 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -94.7 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 187 | P | 36 | Very low | 31.8 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | -120.5 | 147.8 | -68.2 | 34.7 | -21.3 | 0 | 0 | 0 | 111.5 | |||||
| 188 | K | 30.8 | Very low | 31.8 | Very low | 198 Ų | 198 | 123.7 Ų | 123.7 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -125 | 125.5 | 153.2 | -74.7 | -175.4 | -179.3 | 176.5 | 0 | 107.3 | S190 | K188-S190 PolarHBondContact O-N 3.08Å; K188-S190 PolarHBondContact O-OG 3.41Å | ||
| 189 | A | 32.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 98% | 0.975 | 73% | 0.725 | S | S | * | * | trans | -53.5 | 100.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 190 | S | 34.7 | Very low | 32 | Very low | 47 Ų | 47 | 119.2 Ų | 119.2 | 33% | 0.329 | 70% | 0.703 | S | S | . | * | trans | -116.9 | 134.4 | 164.3 | 36.5 | 0 | 0 | 0 | 0 | 106 | K188 I192 | K188-S190 PolarHBondContact O-N 3.08Å; K188-S190 PolarHBondContact O-OG 3.41Å; S190-I192 PolarHBondContact O-N 3.48Å | ||
| 191 | K | 29.5 | Very low | 32.5 | Very low | 187 Ų | 187 | 116.9 Ų | 116.9 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -68.1 | 99.5 | 174.5 | -83.8 | 178 | 176.5 | 173.7 | 0 | 107.3 | L193 | K191-L193 PolarHBondContact O-N 3.23Š| ||
| 192 | I | 30.7 | Very low | 33.3 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 54% | 0.538 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.6 | 105.8 | 171.6 | -66 | 168.2 | 0 | 0 | 0 | 106.7 | S190 L194 L200 | S190-I192 PolarHBondContact O-N 3.48Å; I192-L194 HydrophobicContact CG2-CG 4.43Å; I192-L200 HydrophobicContact CG2-CD1 3.34Å |
| 193 | L | 30.7 | Very low | 34.2 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 108.1 | 170.9 | -142.8 | 89.6 | 0 | 0 | 0 | 108.1 | K191 T195 | K191-L193 PolarHBondContact O-N 3.23Å; L193-T195 PolarHBondContact O-N 3.01Å |
| 194 | L | 28.7 | Very low | 35.3 | Very low | 135 Ų | 135 | 107 Ų | 107 | 71% | 0.707 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 110.7 | 167.9 | -81.2 | 146.6 | 0 | 0 | 0 | 107.6 | I192 | I192-L194 HydrophobicContact CG2-CG 4.43Å |
| 195 | T | 39.7 | Very low | 37.2 | Very low | 63 Ų | 63 | 106.1 Ų | 106.1 | 39% | 0.387 | 60% | 0.603 | S | S | . | * | trans | -79.6 | 146.7 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 109 | L193 N197 G198 K199 | L193-T195 PolarHBondContact O-N 3.01Å; T195-N197 PolarHBondContact O-N 3.42Å; T195-G198 PolarHBondContact O-N 3.41Å; T195-G198 VanDerWaalsContact O-N 3.14Å; T195-K199 PolarHBondContact OG1-O 2.9Å | ||
| 196 | E | 35.7 | Very low | 39.3 | Very low | 203 Ų | 203 | 103.5 Ų | 103.5 | 95% | 0.949 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -10.4 | -175.8 | -87.2 | -179.3 | 139.3 | 0 | 0 | 115 | ||
| 197 | N | 34.8 | Very low | 41.7 | Very low | 152 Ų | 152 | 102.6 Ų | 102.6 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 17.9 | -179.3 | -62.7 | -16.7 | 0 | 0 | 0 | 114.6 | T195 K199 | T195-N197 PolarHBondContact O-N 3.42Å; N197-K199 VanDerWaalsContact C-N 3.28Å; N197-K199 PolarHBondContact O-N 3.31Å |
| 198 | G | 31.1 | Very low | 44 | Very low | 68 Ų | 68 | 99.5 Ų | 99.5 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 70.4 | 19.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T195 | T195-G198 PolarHBondContact O-N 3.41Å; T195-G198 VanDerWaalsContact O-N 3.14Å |
| 199 | K | 31.4 | Very low | 46.8 | Very low | 87 Ų | 87 | 97.7 Ų | 97.7 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | trans | -97.6 | 120.4 | 178.5 | -152.4 | 178.2 | -161.8 | -168.4 | 0 | 110 | Q175 T195 N197 | Q175-K199 HydrophobicContact CG-CD 4.49Å; Q175-K199 VanDerWaalsContact OE1-CE 3.32Å; T195-K199 PolarHBondContact OG1-O 2.9Å; N197-K199 VanDerWaalsContact C-N 3.28Å; N197-K199 PolarHBondContact O-N 3.31Å | ||
| 200 | L | 37.4 | Very low | 49.5 | Very low | 70 Ų | 70 | 92.2 Ų | 92.2 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 101.4 | 176.6 | -172 | 73.8 | 0 | 0 | 0 | 109 | I192 | I192-L200 HydrophobicContact CG2-CD1 3.34Å |
| 201 | S | 41 | Very low | 52.2 | Low | 28 Ų | 28 | 93.6 Ų | 93.6 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126 | 167.6 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 202 | K | 43.7 | Very low | 55.1 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 104.9 | 171.1 | -173.1 | -178.6 | 177.1 | -170.2 | 0 | 108.1 | Q174 | Q174-K202 PolarHBondContact N-O 2.94Å; Q174-K202 PolarHBondContact O-N 3.46Å |
| 203 | D | 48.8 | Very low | 58 | Low | 74 Ų | 74 | 88.7 Ų | 88.7 | 40% | 0.396 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.2 | 171.6 | -63.1 | -21.2 | 0 | 0 | 0 | 108.1 | ||
| 204 | S | 56.3 | Low | 61 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.5 | 170.6 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | V172 | V172-S204 PolarHBondContact N-O 3.19Å; V172-S204 PolarHBondContact O-N 3.14Å; V172-S204 VanDerWaalsContact O-N 3.16Å |
| 205 | N | 68.6 | Low | 64.2 | Low | 104 Ų | 104 | 78.7 Ų | 78.7 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122 | 173.3 | -60.2 | 12.4 | 0 | 0 | 0 | 107.6 | E170 D171 | E170-N205 CarbonylContact O-C 3.56Å; E170-N205 WeakPolarHBondContact O-CA 3.43Å; D171-N205 PolarHBondContact OD1-ND2 3.02Å; D171-N205 PolarHBondContact OD1-OD1 3.21Å |
| 206 | V | 75.9 | Confident | 66.8 | Low | 68 Ų | 68 | 75.7 Ų | 75.7 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.4 | 173 | -169 | 0 | 0 | 0 | 0 | 107.6 | M1 I169 E170 | M1-V206 HydrophobicContact CE-CB 4.08Å; M1-V206 HydrophobicContact CE-CG1 3.37Å; M1-V206 HydrophobicContact SD-CB 4.06Å; M1-V206 HydrophobicContact SD-CG1 4.02Å; I169-V206 WeakPolarHBondContact CA-O 3.43Å; E170-V206 PolarHBondContact N-O 2.97Å; E170-V206 PolarHBondContact O-N 3.42Å |
| 207 | T | 79 | Confident | 69.6 | Low | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.1 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | I169 | I169-T207 HydrophobicContact CG1-CG2 4.06Å |
| 208 | M | 83.4 | Confident | 72.6 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.6 | 171.2 | 177.7 | 176.3 | -80.5 | 0 | 0 | 109.2 | M1 F2 L25 S167 V168 | M1-M208 HydrophobicContact CB-CE 4.42Å; M1-M208 HydrophobicContact CB-SD 4.39Å; M1-M208 HydrophobicContact CE-CB 4.01Å; M1-M208 HydrophobicContact CE-CE 4.02Å; M1-M208 HydrophobicContact SD-CB 4.47Å; F2-M208 HydrophobicContact CB-SD 3.68Å; L25-M208 HydrophobicContact CD1-SD 4.12Å; S167-M208 CarbonylContact C-O 3.54Å; S167-M208 VanDerWaalsContact CA-O 3.23Å; S167-M208 WeakPolarHBondContact CA-O 3.35Å; S167-M208 WeakPolarHBondContact CB-O 3.35Å; V168-M208 PolarHBondContact N-O 3.08Å; V168-M208 PolarHBondContact O-N 3.29Å |
| 209 | E | 88.9 | Confident | 75.6 | Confident | 160 Ų | 160 | 55.9 Ų | 55.9 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.9 | 173.8 | -63.8 | -173.9 | 171.7 | 0 | 0 | 110.4 | ||
| 210 | I | 89.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.4 | -178 | -61.1 | 169.1 | 0 | 0 | 0 | 107.8 | F2 L25 F113 T162 P165 C166 V168 T214 | F2-I210 HydrophobicContact CD2-CD1 3.75Å; F2-I210 HydrophobicContact CD2-CG1 4.27Å; F2-I210 HydrophobicContact CE2-CD1 3.86Å; F2-I210 HydrophobicContact CE2-CG1 4.4Å; L25-I210 HydrophobicContact CD2-CG2 4.4Å; F113-I210 HydrophobicContact CD1-CD1 4.01Å; F113-I210 HydrophobicContact CE1-CD1 3.62Å; T162-I210 HydrophobicContact CG2-CG2 4.29Å; P165-I210 CarbonylContact C-O 3.59Å; P165-I210 WeakPolarHBondContact CA-O 3.27Å; C166-I210 PolarHBondContact N-O 2.99Å; C166-I210 PolarHBondContact O-N 3.16Å; V168-I210 HydrophobicContact CG2-CD1 3.77Å; I210-T214 HydrophobicContact CG2-CG2 3.81Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å |
| 211 | P | 90.8 | Very high | 81.3 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | trans | -61.4 | 160.6 | 177.6 | -24.2 | 34.8 | 0 | 0 | 0 | 113.5 | T162 T214 | T162-P211 PolarHBondContact OG1-O 3.3Å; P211-T214 PolarHBondContact O-OG1 3.24Å | ||
| 212 | P | 91.8 | Very high | 83.9 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 157.8 | 166.3 | 30.1 | -35 | 0 | 0 | 0 | 110.5 | T162 T214 | T162-P212 WeakPolarHBondContact OG1-CA 3.3Å; P212-T214 PolarHBondContact O-N 3.46Å |
| 213 | H | 91.9 | Very high | 86.3 | Confident | 139 Ų | 139 | 45.6 Ų | 45.6 | 64% | 0.644 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 20.7 | -178.6 | -49.1 | -64.8 | 0 | 0 | 0 | 114.7 | T162 | T162-H213 VanDerWaalsContact O-CA 3.28Å; T162-H213 WeakPolarHBondContact O-CA 3.48Å; T162-H213 PolarHBondContact O-N 3.42Å; T162-H213 PolarHBondContact OG1-N 3.16Å; T162-H213 VanDerWaalsContact OG1-N 3.14Å |
| 214 | T | 93.7 | Very high | 88.4 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | trans | -78.9 | 130.4 | 172.4 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | F2 L25 V161 T162 I210 P211 P212 | F2-T214 HydrophobicContact CE2-CG2 4.44Å; F2-T214 HydrophobicContact CZ-CG2 4.24Å; L25-T214 HydrophobicContact CD2-CG2 3.62Å; V161-T214 CarbonylContact C-O 3.56Å; V161-T214 VanDerWaalsContact CA-O 3.29Å; V161-T214 WeakPolarHBondContact CA-O 3.49Å; T162-T214 PolarHBondContact N-O 3.21Å; T162-T214 PolarHBondContact OG1-N 2.7Å; I210-T214 HydrophobicContact CG2-CG2 3.81Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å; P211-T214 PolarHBondContact O-OG1 3.24Å; P212-T214 PolarHBondContact O-N 3.46Å | ||
| 215 | T | 95.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.5 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | V22 M29 R159 I160 A217 | V22-T215 HydrophobicContact CG2-CG2 3.87Å; V22-T215 WeakPolarHBondContact CG2-O 3.42Å; M29-T215 HydrophobicContact CB-CG2 3.78Å; M29-T215 HydrophobicContact CG-CG2 4.42Å; R159-T215 HydrophobicContact CB-CG2 3.79Å; I160-T215 CarbonylContact O-C 3.57Å; I160-T215 WeakPolarHBondContact O-CA 3.33Å; T215-A217 WeakPolarHBondContact CG2-O 3.36Å |
| 216 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -24.7 | -179.9 | 62.3 | 167.6 | 0 | 0 | 0 | 112.9 | F2 T6 F9 V22 F113 L116 I160 T162 | F2-I216 HydrophobicContact CE2-CG2 4.4Å; F2-I216 HydrophobicContact CZ-CG2 4.44Å; T6-I216 WeakPolarHBondContact CB-O 3.46Å; T6-I216 HydrophobicContact CG2-CB 4.02Å; T6-I216 HydrophobicContact CG2-CG2 4.44Å; T6-I216 WeakPolarHBondContact CG2-O 3.39Å; F9-I216 HydrophobicContact CD1-CD1 3.81Å; F9-I216 HydrophobicContact CD1-CG1 4.37Å; F9-I216 HydrophobicContact CD2-CD1 4.26Å; F9-I216 HydrophobicContact CE1-CD1 3.58Å; F9-I216 HydrophobicContact CE1-CG1 4.09Å; F9-I216 HydrophobicContact CE2-CD1 4.04Å; F9-I216 HydrophobicContact CG-CD1 4.15Å; F9-I216 HydrophobicContact CZ-CD1 3.7Å; V22-I216 PolarHBondContact N-O 3.15Å; F113-I216 HydrophobicContact CB-CD1 4.4Å; F113-I216 HydrophobicContact CD1-CG2 4.12Å; F113-I216 HydrophobicContact CD2-CD1 4.06Å; F113-I216 HydrophobicContact CE1-CG2 4.11Å; F113-I216 HydrophobicContact CG-CD1 4.14Å; L116-I216 HydrophobicContact CD1-CD1 3.61Å; L116-I216 HydrophobicContact CD2-CD1 3.7Å; L116-I216 HydrophobicContact CG-CD1 4.29Å; I160-I216 HydrophobicContact CB-CG1 4.04Å; I160-I216 HydrophobicContact CG2-CD1 3.99Å; I160-I216 HydrophobicContact CG2-CG1 3.89Å; I160-I216 WeakPolarHBondContact O-CG1 3.46Å; I160-I216 PolarHBondContact O-N 2.74Å; T162-I216 HydrophobicContact CG2-CG2 3.95Å |
| 217 | A | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | F9 V10 L19 I20 R159 I160 T215 | F9-A217 HydrophobicContact CD1-CB 4.46Å; F9-A217 HydrophobicContact CE1-CB 4.16Å; V10-A217 HydrophobicContact CG2-CB 3.64Å; L19-A217 HydrophobicContact CB-CB 4.42Å; I20-A217 CarbonylContact O-C 3.51Å; I20-A217 VanDerWaalsContact O-CA 3.25Å; I20-A217 WeakPolarHBondContact O-CA 3.48Å; R159-A217 CarbonylContact C-O 3.27Å; R159-A217 WeakPolarHBondContact CA-O 3.32Å; I160-A217 HydrophobicContact CB-CB 4.31Å; I160-A217 HydrophobicContact CG1-CB 4.18Å; I160-A217 PolarHBondContact N-O 3.06Å; T215-A217 WeakPolarHBondContact CG2-O 3.36Å |
| 218 | Y | 96 | Very high | 92.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.3 | 179.7 | 65.9 | -78.5 | 0 | 0 | 0 | 111.4 | I20 V22 M29 V35 Y49 V156 E158 I220 | I20-Y218 HydrophobicContact CB-CD1 4.25Å; I20-Y218 HydrophobicContact CB-CD2 4.45Å; I20-Y218 HydrophobicContact CB-CE1 3.84Å; I20-Y218 HydrophobicContact CB-CE2 4.08Å; I20-Y218 HydrophobicContact CD1-CD2 4.33Å; I20-Y218 HydrophobicContact CD1-CE2 3.77Å; I20-Y218 HydrophobicContact CG2-CE1 3.67Å; I20-Y218 HydrophobicContact CG2-CE2 4.26Å; I20-Y218 WeakPolarHBondContact CG2-OH 3.39Å; I20-Y218 PolarHBondContact N-O 2.78Å; I20-Y218 VanDerWaalsContact O-CD1 3.32Å; I20-Y218 WeakPolarHBondContact O-CD1 3.39Å; I20-Y218 PolarHBondContact O-N 3.32Å; V22-Y218 HydrophobicContact CG2-CD1 3.76Å; V22-Y218 HydrophobicContact CG2-CE1 4.22Å; M29-Y218 HydrophobicContact CE-CD1 3.79Å; M29-Y218 HydrophobicContact CE-CE1 3.27Å; M29-Y218 HydrophobicContact CE-CE2 4.41Å; M29-Y218 HydrophobicContact CG-CD1 4.28Å; M29-Y218 HydrophobicContact SD-CD1 4.02Å; M29-Y218 HydrophobicContact SD-CD2 4.41Å; M29-Y218 HydrophobicContact SD-CE1 3.98Å; M29-Y218 HydrophobicContact SD-CE2 4.35Å; M29-Y218 HydrophobicContact SD-CG 4.24Å; V35-Y218 HydrophobicContact CG2-CE2 4.26Å; Y49-Y218 VanDerWaalsContact CB-OH 3.31Å; Y49-Y218 WeakPolarHBondContact CB-OH 3.4Å; V156-Y218 HydrophobicContact CG2-CD2 4.05Å; E158-Y218 CarbonylContact O-C 2.91Å; E158-Y218 VanDerWaalsContact O-CA 3.29Å; E158-Y218 WeakPolarHBondContact O-CA 3.47Å; E158-Y218 WeakPolarHBondContact O-CB 3.31Å; Y218-I220 HydrophobicContact CD2-CG2 3.73Å; Y218-I220 HydrophobicContact CE2-CG2 3.68Å |
| 219 | G | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | K157 E158 | K157-G219 PolarHBondContact N-O 2.82Å; E158-G219 PolarHBondContact N-O 3.05Å; E158-G219 PolarHBondContact O-N 2.91Å |
| 220 | I | 94.7 | Very high | 93.3 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164.2 | -174.3 | 61.1 | 166.4 | 0 | 0 | 0 | 112.1 | I20 V35 Y49 A154 I155 K157 Y218 | I20-I220 HydrophobicContact CD1-CD1 4.09Å; I20-I220 HydrophobicContact CD1-CG1 3.98Å; I20-I220 HydrophobicContact CD1-CG2 4.1Å; V35-I220 HydrophobicContact CG2-CG2 4.32Å; Y49-I220 HydrophobicContact CD1-CD1 3.84Å; Y49-I220 HydrophobicContact CE1-CD1 3.36Å; A154-I220 HydrophobicContact CB-CB 4Å; A154-I220 HydrophobicContact CB-CD1 3.66Å; A154-I220 HydrophobicContact CB-CG1 4.3Å; I155-I220 CarbonylContact O-C 3.41Å; I155-I220 WeakPolarHBondContact O-CA 3.4Å; K157-I220 WeakPolarHBondContact CD-O 3.45Å; K157-I220 WeakPolarHBondContact CE-O 3.48Å; Y218-I220 HydrophobicContact CD2-CG2 3.73Å; Y218-I220 HydrophobicContact CE2-CG2 3.68Å |
| 221 | I | 94.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.9 | 162.2 | -172.7 | 160.1 | 0 | 0 | 0 | 109.1 | V123 A154 I155 K157 L233 C234 V235 | V123-I221 HydrophobicContact CG1-CD1 4.12Å; A154-I221 CarbonylContact C-O 3.48Å; A154-I221 WeakPolarHBondContact CA-O 3.39Å; A154-I221 WeakPolarHBondContact CB-O 3.45Å; I155-I221 HydrophobicContact CD1-CG2 3.92Å; I155-I221 HydrophobicContact CG1-CG2 3.4Å; I155-I221 PolarHBondContact N-O 3.38Å; I155-I221 PolarHBondContact O-N 3.19Å; K157-I221 HydrophobicContact CB-CB 4.46Å; K157-I221 HydrophobicContact CB-CG2 4.15Å; K157-I221 HydrophobicContact CD-CB 4.16Å; I221-L233 HydrophobicContact CD1-CB 3.66Å; I221-L233 HydrophobicContact CG1-CB 4.04Å; I221-L233 HydrophobicContact CG2-CD2 4.24Å; I221-C234 WeakPolarHBondContact CG1-O 3.47Å; I221-V235 HydrophobicContact CD1-CG2 4.23Å |
| 222 | E | 95.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 153.9 | -178 | -65.8 | 178.9 | -165.9 | 0 | 0 | 111.7 | K37 V152 A154 C234 G239 | K37-E222 VanDerWaalsContact CD-OE1 3.26Å; K37-E222 WeakPolarHBondContact CD-OE1 3.46Å; K37-E222 WeakPolarHBondContact CE-OE1 3.42Å; K37-E222 IonicContact NZ-OE1 3.62Å; K37-E222 PolarHBondContact NZ-OE1 2.95Å; V152-E222 HydrophobicContact CG1-CB 4.13Å; V152-E222 HydrophobicContact CG1-CG 4.17Å; A154-E222 HydrophobicContact CB-CG 4.26Å; E222-C234 HydrophobicContact CB-CB 4.1Å; E222-C234 WeakPolarHBondContact O-CB 3.25Å; E222-C234 PolarHBondContact O-N 3.49Å; E222-G239 PolarHBondContact OE2-N 3.29Å |
| 223 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.6 | 175 | -51.3 | -172.9 | 0 | 0 | 0 | 110.1 | L56 F153 I155 I225 F231 E232 L233 G239 G240 | L56-L223 HydrophobicContact CD1-CD1 4.36Å; F153-L223 HydrophobicContact CB-CB 4.31Å; F153-L223 HydrophobicContact CB-CD1 3.95Å; F153-L223 HydrophobicContact CB-CG 4.23Å; F153-L223 PolarHBondContact O-N 2.71Å; I155-L223 HydrophobicContact CD1-CD2 4.45Å; I155-L223 HydrophobicContact CG1-CD2 4.47Å; I155-L223 HydrophobicContact CG2-CD1 4.25Å; I155-L223 HydrophobicContact CG2-CD2 4.33Å; L223-I225 HydrophobicContact CB-CD1 4.14Å; L223-I225 HydrophobicContact CB-CG1 3.97Å; L223-I225 HydrophobicContact CD1-CD1 4.44Å; L223-F231 HydrophobicContact CD2-CD2 4.23Å; L223-E232 WeakPolarHBondContact CA-O 3.36Å; L223-L233 HydrophobicContact CD2-CD2 3.35Å; L223-G239 CarbonylContact O-C 3.6Å; L223-G239 VanDerWaalsContact O-CA 3.3Å; L223-G239 WeakPolarHBondContact O-CA 3.41Å; L223-G240 PolarHBondContact O-N 3.23Å |
| 224 | E | 93.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 29.3 Ų | 29.3 | 31% | 0.308 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.7 | 161.4 | -176.4 | 167.9 | -159.6 | 0 | 0 | 107.5 | F231 E232 G240 | E224-F231 CarbonylContact O-C 3.49Å; E224-F231 WeakPolarHBondContact O-CA 3.31Å; E224-F231 WeakPolarHBondContact O-CB 3.34Å; E224-E232 PolarHBondContact N-O 2.79Å; E224-E232 PolarHBondContact O-N 2.83Å; E224-G240 CarbonylContact C-O 3.55Å; E224-G240 WeakPolarHBondContact CA-O 3.38Å |
| 225 | I | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.1 | -170.6 | -59.4 | 166.7 | 0 | 0 | 0 | 109.3 | L135 M137 F153 L223 F231 G240 F241 E242 | L135-I225 HydrophobicContact CD1-CB 4.5Å; L135-I225 HydrophobicContact CD1-CD1 3.57Å; L135-I225 HydrophobicContact CD1-CG1 3.76Å; L135-I225 HydrophobicContact CD1-CG2 3.91Å; M137-I225 HydrophobicContact CE-CG2 4.41Å; M137-I225 HydrophobicContact SD-CG2 4.28Å; F153-I225 HydrophobicContact CB-CD1 4.16Å; F153-I225 HydrophobicContact CD2-CD1 3.55Å; F153-I225 HydrophobicContact CE2-CD1 4.46Å; F153-I225 HydrophobicContact CG-CD1 4.35Å; L223-I225 HydrophobicContact CB-CD1 4.14Å; L223-I225 HydrophobicContact CB-CG1 3.97Å; L223-I225 HydrophobicContact CD1-CD1 4.44Å; I225-F231 HydrophobicContact CG1-CB 3.99Å; I225-G240 PolarHBondContact N-O 2.73Å; I225-F241 HydrophobicContact CB-CD1 3.98Å; I225-F241 HydrophobicContact CB-CE1 4.16Å; I225-F241 HydrophobicContact CD1-CD1 4.45Å; I225-F241 HydrophobicContact CD1-CE1 3.88Å; I225-F241 HydrophobicContact CD1-CZ 4.07Å; I225-F241 HydrophobicContact CG2-CD1 4Å; I225-F241 HydrophobicContact CG2-CE1 4.01Å; I225-F241 CarbonylContact O-C 3.57Å; I225-F241 WeakPolarHBondContact O-CA 3.41Å; I225-E242 PolarHBondContact O-N 3.24Å |
| 226 | K | 92.4 | Very high | 92 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | trans | -82.1 | 163.7 | 177.1 | -62.9 | -173.1 | -165.5 | 160.5 | 0 | 111.9 | D228 G229 Q230 E242 | K226-D228 VanDerWaalsContact CB-OD1 3.27Å; K226-D228 WeakPolarHBondContact CB-OD1 3.48Å; K226-D228 PolarHBondContact O-N 2.96Å; K226-G229 PolarHBondContact O-N 3.36Å; K226-Q230 HydrophobicContact CB-CB 4.27Å; K226-Q230 HydrophobicContact CD-CB 4.09Å; K226-Q230 HydrophobicContact CG-CB 4.42Å; K226-Q230 PolarHBondContact N-O 3.31Å; K226-E242 WeakPolarHBondContact CA-OE2 3.49Å; K226-E242 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 227 | N | 90.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.2 | 179.3 | -85.7 | -33.4 | 0 | 0 | 0 | 114 | K146 G229 E242 D244 | K146-N227 PolarHBondContact NZ-OD1 3.47Å; N227-G229 VanDerWaalsContact C-N 3.34Å; N227-E242 PolarHBondContact N-OE2 3.42Å; N227-D244 PolarHBondContact ND2-OD1 3.31Å; N227-D244 PolarHBondContact ND2-OD2 3.14Å |
| 228 | D | 91 | Very high | 90.1 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 4 | 177.3 | 69.9 | -10.6 | 0 | 0 | 0 | 114 | K226 Q230 | K226-D228 VanDerWaalsContact CB-OD1 3.27Å; K226-D228 WeakPolarHBondContact CB-OD1 3.48Å; K226-D228 PolarHBondContact O-N 2.96Å; D228-Q230 VanDerWaalsContact C-N 3.32Å; D228-Q230 PolarHBondContact O-N 3.14Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.41Å; D228-Q230 WeakPolarHBondContact OD1-CG 3.49Å; D228-Q230 PolarHBondContact OD1-N 3.09Å; D228-Q230 VanDerWaalsContact OD2-CD 3.27Å; D228-Q230 WeakPolarHBondContact OD2-CG 3.21Å; D228-Q230 PolarHBondContact OD2-NE2 3.38Å |
| 229 | G | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 83.9 | -3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V134 L135 M137 K226 N227 | V134-G229 CarbonylContact C-O 3.57Å; V134-G229 VanDerWaalsContact CA-O 3.31Å; V134-G229 WeakPolarHBondContact CA-O 3.39Å; L135-G229 PolarHBondContact N-O 2.76Å; M137-G229 WeakPolarHBondContact SD-CA 3.27Å; K226-G229 PolarHBondContact O-N 3.36Å; N227-G229 VanDerWaalsContact C-N 3.34Å |
| 230 | Q | 93.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 48 Ų | 48 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 142.4 | 166.7 | -68.1 | 177.5 | 30 | 0 | 0 | 109.7 | V134 K226 D228 | V134-Q230 HydrophobicContact CG1-CG 3.98Å; K226-Q230 HydrophobicContact CB-CB 4.27Å; K226-Q230 HydrophobicContact CD-CB 4.09Å; K226-Q230 HydrophobicContact CG-CB 4.42Å; K226-Q230 PolarHBondContact N-O 3.31Å; D228-Q230 VanDerWaalsContact C-N 3.32Å; D228-Q230 PolarHBondContact O-N 3.14Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.41Å; D228-Q230 WeakPolarHBondContact OD1-CG 3.49Å; D228-Q230 PolarHBondContact OD1-N 3.09Å; D228-Q230 VanDerWaalsContact OD2-CD 3.27Å; D228-Q230 WeakPolarHBondContact OD2-CG 3.21Å; D228-Q230 PolarHBondContact OD2-NE2 3.38Å |
| 231 | F | 94.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.6 | 178.7 | 71.7 | -80.6 | 0 | 0 | 0 | 112.5 | L56 L60 R133 L135 L223 E224 I225 L233 | L56-F231 HydrophobicContact CD1-CE2 4.22Å; L56-F231 HydrophobicContact CD1-CZ 4.18Å; L56-F231 HydrophobicContact CD2-CE2 4.35Å; L56-F231 HydrophobicContact CD2-CZ 4.37Å; L60-F231 HydrophobicContact CD2-CE1 3.52Å; L60-F231 HydrophobicContact CD2-CZ 3.86Å; R133-F231 HydrophobicContact CB-CE1 3.99Å; R133-F231 HydrophobicContact CB-CZ 4.4Å; L135-F231 HydrophobicContact CD1-CB 4.26Å; L135-F231 HydrophobicContact CD1-CD1 4.35Å; L135-F231 HydrophobicContact CD1-CG 4.4Å; L135-F231 HydrophobicContact CD2-CD1 4.08Å; L135-F231 HydrophobicContact CD2-CE1 4.17Å; L135-F231 HydrophobicContact CG-CD1 3.76Å; L135-F231 HydrophobicContact CG-CE1 4.3Å; L135-F231 HydrophobicContact CG-CG 4.28Å; L223-F231 HydrophobicContact CD2-CD2 4.23Å; E224-F231 CarbonylContact O-C 3.49Å; E224-F231 WeakPolarHBondContact O-CA 3.31Å; E224-F231 WeakPolarHBondContact O-CB 3.34Å; I225-F231 HydrophobicContact CG1-CB 3.99Å; F231-L233 HydrophobicContact CE2-CD2 4.48Å |
| 232 | E | 93.4 | Very high | 88.7 | Confident | 106 Ų | 106 | 52.5 Ų | 52.5 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.9 | 176.7 | -64.9 | -176.6 | -165.5 | 0 | 0 | 110.6 | L223 E224 | L223-E232 WeakPolarHBondContact CA-O 3.36Å; E224-E232 PolarHBondContact N-O 2.79Å; E224-E232 PolarHBondContact O-N 2.83Å |
| 233 | L | 93.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.2 | 173.7 | -48.8 | 169.6 | 0 | 0 | 0 | 109.4 | L126 M127 I155 I221 L223 F231 V235 | L126-L233 HydrophobicContact CB-CD1 4.43Å; L126-L233 HydrophobicContact CD2-CD1 3.83Å; L126-L233 HydrophobicContact CG-CD1 3.74Å; M127-L233 HydrophobicContact CG-CD1 3.99Å; M127-L233 HydrophobicContact SD-CB 3.46Å; M127-L233 WeakPolarHBondContact SD-CB 3.08Å; M127-L233 HydrophobicContact SD-CD1 3.59Å; M127-L233 VanDerWaalsContact SD-CD1 3.59Å; M127-L233 HydrophobicContact SD-CG 3.71Å; I155-L233 HydrophobicContact CD1-CD2 3.65Å; I155-L233 HydrophobicContact CG1-CD2 4.42Å; I221-L233 HydrophobicContact CD1-CB 3.66Å; I221-L233 HydrophobicContact CG1-CB 4.04Å; I221-L233 HydrophobicContact CG2-CD2 4.24Å; L223-L233 HydrophobicContact CD2-CD2 3.35Å; F231-L233 HydrophobicContact CE2-CD2 4.48Å; L233-V235 PolarHBondContact O-N 3.02Å |
| 234 | C | 91.1 | Very high | 85.6 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 9% | 0.088 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 98.4 | -174.1 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | I221 E222 S237 | I221-C234 WeakPolarHBondContact CG1-O 3.47Å; E222-C234 HydrophobicContact CB-CB 4.1Å; E222-C234 WeakPolarHBondContact O-CB 3.25Å; E222-C234 PolarHBondContact O-N 3.49Å; C234-S237 WeakPolarHBondContact CB-O 3.35Å |
| 235 | V | 82.6 | Confident | 83.2 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 62% | 0.618 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -79.7 | -34.6 | 177 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | I221 L233 | I221-V235 HydrophobicContact CD1-CG2 4.23Å; L233-V235 PolarHBondContact O-N 3.02Å |
| 236 | M | 72.1 | Confident | 80.5 | Confident | 189 Ų | 189 | 71.4 Ų | 71.4 | 93% | 0.931 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -135.4 | -10 | -174.9 | -61.6 | -173.8 | 64.6 | 0 | 0 | 114.5 | ||
| 237 | S | 68.9 | Low | 77.9 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -100.4 | 168 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | C234 | C234-S237 WeakPolarHBondContact CB-O 3.35Š|
| 238 | G | 79.6 | Confident | 75.1 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 58% | 0.577 | 44% | 0.441 | S | S | * | . | trans | -85 | 141.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 239 | G | 86.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | trans | -82.6 | -173 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E222 L223 | E222-G239 PolarHBondContact OE2-N 3.29Å; L223-G239 CarbonylContact O-C 3.6Å; L223-G239 VanDerWaalsContact O-CA 3.3Å; L223-G239 WeakPolarHBondContact O-CA 3.41Å | ||
| 240 | G | 90.3 | Very high | 69.4 | Low | 6 Ų | 6 | 87.7 Ų | 87.7 | 6% | 0.062 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | -173.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L223 E224 I225 | L223-G240 PolarHBondContact O-N 3.23Å; E224-G240 CarbonylContact C-O 3.55Å; E224-G240 WeakPolarHBondContact CA-O 3.38Å; I225-G240 PolarHBondContact N-O 2.73Å |
| 241 | F | 87.9 | Confident | 66.4 | Low | 34 Ų | 34 | 91.2 Ų | 91.2 | 15% | 0.149 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 142.7 | 174 | -66.6 | -89.4 | 0 | 0 | 0 | 110.7 | I142 T145 K146 F153 I225 V243 | I142-F241 HydrophobicContact CG2-CE1 4.16Å; T145-F241 HydrophobicContact CG2-CE2 3.9Å; T145-F241 HydrophobicContact CG2-CZ 4.32Å; K146-F241 HydrophobicContact CB-CD1 4.15Å; K146-F241 HydrophobicContact CB-CE1 3.99Å; K146-F241 HydrophobicContact CB-CE2 4.38Å; K146-F241 HydrophobicContact CB-CG 4.39Å; K146-F241 HydrophobicContact CB-CZ 4.09Å; K146-F241 HydrophobicContact CD-CD1 4.32Å; K146-F241 HydrophobicContact CG-CD1 4.02Å; K146-F241 HydrophobicContact CG-CE1 4.35Å; K146-F241 HydrophobicContact CG-CG 4.18Å; F153-F241 HydrophobicContact CD2-CE1 4.49Å; F153-F241 HydrophobicContact CD2-CE2 4.18Å; F153-F241 AromaticContact CD2-CZ 3.62Å; F153-F241 HydrophobicContact CD2-CZ 3.62Å; F153-F241 HydrophobicContact CE2-CE1 4.46Å; F153-F241 HydrophobicContact CE2-CE2 4.33Å; F153-F241 AromaticContact CE2-CZ 3.56Å; F153-F241 HydrophobicContact CE2-CZ 3.56Å; I225-F241 HydrophobicContact CB-CD1 3.98Å; I225-F241 HydrophobicContact CB-CE1 4.16Å; I225-F241 HydrophobicContact CD1-CD1 4.45Å; I225-F241 HydrophobicContact CD1-CE1 3.88Å; I225-F241 HydrophobicContact CD1-CZ 4.07Å; I225-F241 HydrophobicContact CG2-CD1 4Å; I225-F241 HydrophobicContact CG2-CE1 4.01Å; I225-F241 CarbonylContact O-C 3.57Å; I225-F241 WeakPolarHBondContact O-CA 3.41Å; F241-V243 PolarHBondContact O-N 3.16Å |
| 242 | E | 85.4 | Confident | 63.2 | Low | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 55% | 0.546 | S | S | . | . | trans | -57.2 | 131.4 | 166.9 | -174.3 | 173.5 | -151.2 | 0 | 0 | 110 | I225 K226 N227 | I225-E242 PolarHBondContact O-N 3.24Å; K226-E242 WeakPolarHBondContact CA-OE2 3.49Å; K226-E242 WeakPolarHBondContact CB-OE2 3.29Å; N227-E242 PolarHBondContact N-OE2 3.42Å | ||
| 243 | V | 76.4 | Confident | 60 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | trans | -109.4 | 129.2 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | F241 G245 | F241-V243 PolarHBondContact O-N 3.16Å; V243-G245 VanDerWaalsContact C-N 3.31Å; V243-G245 PolarHBondContact O-N 3.01Å | ||
| 244 | D | 48.5 | Very low | 56.9 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 77% | 0.765 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -68.8 | 87.4 | 173.8 | -69 | -44.3 | 0 | 0 | 0 | 109.9 | N227 | N227-D244 PolarHBondContact ND2-OD1 3.31Å; N227-D244 PolarHBondContact ND2-OD2 3.14Å |
| 245 | G | 43.9 | Very low | 54.3 | Low | 49 Ų | 49 | 107.5 Ų | 107.5 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | S | Bend | trans | 164 | 145.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V243 S247 | V243-G245 VanDerWaalsContact C-N 3.31Å; V243-G245 PolarHBondContact O-N 3.01Å; G245-S247 PolarHBondContact O-N 3.36Å; G245-S247 PolarHBondContact O-OG 2.81Å |
| 246 | H | 35.9 | Very low | 51.7 | Low | 206 Ų | 206 | 106.4 Ų | 106.4 | 95% | 0.954 | 63% | 0.625 | S | S | * | * | trans | -65.8 | 73.3 | 178.5 | -75.9 | 68.6 | 0 | 0 | 0 | 111.9 | K248 | H246-K248 PolarHBondContact O-N 2.95Š| ||
| 247 | S | 37.2 | Very low | 50 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | trans | -81.5 | 102.8 | 169.5 | -51.1 | 0 | 0 | 0 | 0 | 106.6 | G245 K249 | G245-S247 PolarHBondContact O-N 3.36Å; G245-S247 PolarHBondContact O-OG 2.81Å; S247-K249 PolarHBondContact O-N 3.47Å | ||
| 248 | K | 32.5 | Very low | 49.2 | Very low | 201 Ų | 201 | 108 Ų | 108 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -50.9 | 115.7 | 169.5 | -79 | 178.4 | 177.3 | 175.1 | 0 | 107.5 | H246 S250 | H246-K248 PolarHBondContact O-N 2.95Å; K248-S250 VanDerWaalsContact C-N 3.33Å; K248-S250 PolarHBondContact O-N 2.87Å | ||
| 249 | K | 34.7 | Very low | 47.7 | Very low | 166 Ų | 166 | 111.1 Ų | 111.1 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | trans | -54.2 | 102.9 | 165.9 | -74.6 | -172.3 | 175.1 | -172.4 | 0 | 106.1 | S247 L251 | S247-K249 PolarHBondContact O-N 3.47Å; K249-L251 PolarHBondContact O-N 3.14Å | ||
| 250 | S | 30.3 | Very low | 46.5 | Very low | 105 Ų | 105 | 115.3 Ų | 115.3 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -70.9 | 87.2 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 106.8 | K248 M252 | K248-S250 VanDerWaalsContact C-N 3.33Å; K248-S250 PolarHBondContact O-N 2.87Å; S250-M252 VanDerWaalsContact C-N 3.32Å; S250-M252 PolarHBondContact O-N 2.89Å | ||
| 251 | L | 30.3 | Very low | 45.7 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | -61.9 | 100.9 | 161 | -120 | 97.7 | 0 | 0 | 0 | 105.7 | K249 S253 | K249-L251 PolarHBondContact O-N 3.14Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.23Å | ||
| 252 | M | 26.3 | Very low | 45.2 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 88% | 0.882 | 68% | 0.675 | S | S | * | * | trans | -70.3 | 99.3 | 166.8 | -64.8 | -153.9 | 81.6 | 0 | 0 | 107.3 | S250 | S250-M252 VanDerWaalsContact C-N 3.32Å; S250-M252 PolarHBondContact O-N 2.89Å | ||
| 253 | S | 26.2 | Very low | 45.1 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | trans | -73.6 | 141.8 | 177.2 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | L251 | L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.23Å | ||
| 254 | A | 29 | Very low | 45.4 | Very low | 86 Ų | 86 | 118.3 Ų | 118.3 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | -19.1 | 129.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 255 | S | 35.5 | Very low | 47.3 | Very low | 110 Ų | 110 | 112.1 Ų | 112.1 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | trans | 34.5 | 101.2 | 139.4 | 63.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 256 | A | 28.7 | Very low | 49.4 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | trans | -98.1 | 162.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K258 | A256-K258 PolarHBondContact O-N 3.2Š| ||
| 257 | P | 36.5 | Very low | 51.9 | Low | 127 Ų | 127 | 104.9 Ų | 104.9 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | trans | -62.1 | 131.7 | -175.6 | -14.1 | 28.4 | 0 | 0 | 0 | 111.2 | N259 | P257-N259 PolarHBondContact O-N 3.42Š| ||
| 258 | K | 51.3 | Low | 54.5 | Low | 162 Ų | 162 | 106.4 Ų | 106.4 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -80.5 | 3.6 | -155.9 | -67.2 | -179 | 176.9 | 177.8 | 0 | 117 | A256 N260 | A256-K258 PolarHBondContact O-N 3.2Å; K258-N260 VanDerWaalsContact C-N 3.34Å; K258-N260 PolarHBondContact O-N 3.39Å |
| 259 | N | 49.4 | Very low | 57.3 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 65% | 0.652 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -77.8 | -16.3 | -172.8 | -72.2 | 12 | 0 | 0 | 0 | 114.2 | P257 | P257-N259 PolarHBondContact O-N 3.42Š|
| 260 | N | 60.2 | Low | 60 | Low | 101 Ų | 101 | 94.3 Ų | 94.3 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -112.5 | 4.2 | -175.4 | -58.9 | 1.4 | 0 | 0 | 0 | 113.8 | K258 T262 Q263 Q264 | K258-N260 VanDerWaalsContact C-N 3.34Å; K258-N260 PolarHBondContact O-N 3.39Å; N260-T262 PolarHBondContact O-N 2.93Å; N260-Q263 PolarHBondContact O-N 3.03Å; N260-Q264 WeakPolarHBondContact O-CB 3.49Å; N260-Q264 PolarHBondContact O-N 2.88Å |
| 261 | M | 72.8 | Confident | 63 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | -175.9 | -172.1 | 69.2 | -175.1 | 0 | 0 | 111.3 | Q263 Q264 E265 | M261-Q263 PolarHBondContact O-N 3.38Å; M261-Q264 PolarHBondContact O-N 3.34Å; M261-E265 HydrophobicContact CE-CG 4.01Å; M261-E265 VanDerWaalsContact CE-OE1 3.23Å; M261-E265 WeakPolarHBondContact CE-OE1 3.49Å; M261-E265 WeakPolarHBondContact O-CG 3.43Å; M261-E265 PolarHBondContact O-N 3.21Å |
| 262 | T | 79 | Confident | 66 | Low | 26 Ų | 26 | 89 Ų | 89 | 16% | 0.16 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | N260 E265 L266 L445 C448 | N260-T262 PolarHBondContact O-N 2.93Å; T262-E265 PolarHBondContact O-N 2.9Å; T262-L266 HydrophobicContact CG2-CD1 4.14Å; T262-L266 WeakPolarHBondContact O-CB 3.44Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.48Å; T262-L266 PolarHBondContact O-N 2.94Å; T262-L445 HydrophobicContact CG2-CB 4.42Å; T262-L445 HydrophobicContact CG2-CD1 3.88Å; T262-C448 HydrophobicContact CG2-CB 4.47Å |
| 263 | Q | 81.7 | Confident | 69.2 | Low | 56 Ų | 56 | 80.8 Ų | 80.8 | 26% | 0.262 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 177.6 | -172.2 | -177.9 | 7.6 | 0 | 0 | 111.9 | N260 M261 E265 L266 E267 S394 | N260-Q263 PolarHBondContact O-N 3.03Å; M261-Q263 PolarHBondContact O-N 3.38Å; Q263-E265 VanDerWaalsContact C-N 3.26Å; Q263-E265 PolarHBondContact O-N 3.27Å; Q263-L266 PolarHBondContact O-N 2.89Å; Q263-E267 PolarHBondContact O-N 3.01Å; Q263-S394 WeakPolarHBondContact CB-O 3.31Å |
| 264 | Q | 84.2 | Confident | 72.3 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | -179.4 | -172.9 | 179.4 | 5.9 | 0 | 0 | 111.5 | N260 M261 K268 | N260-Q264 WeakPolarHBondContact O-CB 3.49Å; N260-Q264 PolarHBondContact O-N 2.88Å; M261-Q264 PolarHBondContact O-N 3.34Å; Q264-K268 WeakPolarHBondContact O-CG 3.47Å; Q264-K268 PolarHBondContact O-N 2.86Å |
| 265 | E | 87.4 | Confident | 75.4 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 176 | -65.7 | -52.2 | 144.9 | 0 | 0 | 112.7 | F43 M261 T262 Q263 E267 K268 L269 L445 | F43-E265 HydrophobicContact CE1-CB 4.31Å; F43-E265 HydrophobicContact CE1-CG 4.19Å; F43-E265 WeakPolarHBondContact CE1-OE2 3.43Å; F43-E265 HydrophobicContact CE2-CG 4.11Å; F43-E265 HydrophobicContact CZ-CB 3.71Å; F43-E265 VanDerWaalsContact CZ-CD 3.47Å; F43-E265 HydrophobicContact CZ-CG 3.45Å; F43-E265 VanDerWaalsContact CZ-CG 3.45Å; F43-E265 WeakPolarHBondContact CZ-OE2 3.2Å; M261-E265 HydrophobicContact CE-CG 4.01Å; M261-E265 VanDerWaalsContact CE-OE1 3.23Å; M261-E265 WeakPolarHBondContact CE-OE1 3.49Å; M261-E265 WeakPolarHBondContact O-CG 3.43Å; M261-E265 PolarHBondContact O-N 3.21Å; T262-E265 PolarHBondContact O-N 2.9Å; Q263-E265 VanDerWaalsContact C-N 3.26Å; Q263-E265 PolarHBondContact O-N 3.27Å; E265-E267 VanDerWaalsContact C-N 3.3Å; E265-E267 PolarHBondContact O-N 2.97Å; E265-K268 PolarHBondContact O-N 3.3Å; E265-K268 IonicContact OE1-NZ 3.83Å; E265-K268 PolarHBondContact OE1-NZ 3.43Å; E265-K268 WeakPolarHBondContact OE2-CD 3.44Å; E265-K268 IonicContact OE2-NZ 2.67Å; E265-K268 PolarHBondContact OE2-NZ 3.22Å; E265-K268 VanDerWaalsContact OE2-NZ 3.09Å; E265-L269 WeakPolarHBondContact O-CG 3.18Å; E265-L269 PolarHBondContact O-N 3.35Å; E265-L445 HydrophobicContact CB-CD1 3.98Å; E265-L445 HydrophobicContact CB-CD2 4.18Å; E265-L445 HydrophobicContact CG-CD2 4.34Å |
| 266 | L | 88.8 | Confident | 78.1 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -35 | 174.8 | -72.6 | 171.4 | 0 | 0 | 0 | 112.6 | T262 Q263 L269 K270 F273 V390 L445 C448 I449 K452 | T262-L266 HydrophobicContact CG2-CD1 4.14Å; T262-L266 WeakPolarHBondContact O-CB 3.44Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.48Å; T262-L266 PolarHBondContact O-N 2.94Å; Q263-L266 PolarHBondContact O-N 2.89Å; L266-L269 PolarHBondContact O-N 2.92Å; L266-K270 PolarHBondContact O-N 3.27Å; L266-F273 HydrophobicContact CD2-CE2 4.35Å; L266-F273 HydrophobicContact CD2-CZ 4.2Å; L266-V390 HydrophobicContact CD1-CG1 4.33Å; L266-L445 HydrophobicContact CD2-CD1 4.4Å; L266-L445 HydrophobicContact CG-CD1 4.25Å; L266-C448 HydrophobicContact CD1-CB 3.93Å; L266-C448 HydrophobicContact CD2-CB 4.1Å; L266-C448 HydrophobicContact CG-CB 4.5Å; L266-I449 HydrophobicContact CD2-CG1 3.72Å; L266-K452 HydrophobicContact CD2-CD 4.34Å |
| 267 | E | 88.9 | Confident | 81.1 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 175.3 | -77.2 | -58.8 | 140.2 | 0 | 0 | 112.1 | Q263 E265 L269 K270 | Q263-E267 PolarHBondContact O-N 3.01Å; E265-E267 VanDerWaalsContact C-N 3.3Å; E265-E267 PolarHBondContact O-N 2.97Å; E267-L269 PolarHBondContact O-N 3.2Å; E267-K270 WeakPolarHBondContact O-CB 3.2Å; E267-K270 PolarHBondContact O-N 3.11Å; E267-K270 VanDerWaalsContact O-N 3.11Å |
| 268 | K | 90.4 | Very high | 83.8 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 52% | 0.522 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -23.7 | 173.4 | -67.5 | 174.4 | -164.3 | 166.1 | 0 | 112.9 | Q264 E265 | Q264-K268 WeakPolarHBondContact O-CG 3.47Å; Q264-K268 PolarHBondContact O-N 2.86Å; E265-K268 PolarHBondContact O-N 3.3Å; E265-K268 IonicContact OE1-NZ 3.83Å; E265-K268 PolarHBondContact OE1-NZ 3.43Å; E265-K268 WeakPolarHBondContact OE2-CD 3.44Å; E265-K268 IonicContact OE2-NZ 2.67Å; E265-K268 PolarHBondContact OE2-NZ 3.22Å; E265-K268 VanDerWaalsContact OE2-NZ 3.09Å |
| 269 | L | 92.1 | Very high | 85.7 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 0.1 | 179.8 | -60.1 | 173.9 | 0 | 0 | 0 | 113.2 | W42 W44 E265 L266 E267 D271 H272 F273 L358 I449 | W42-L269 HydrophobicContact CE3-CD2 4.43Å; W42-L269 HydrophobicContact CZ3-CD2 4.18Å; W44-L269 HydrophobicContact CH2-CD1 3.47Å; W44-L269 VanDerWaalsContact CH2-CD1 3.47Å; W44-L269 HydrophobicContact CH2-CD2 3.8Å; W44-L269 HydrophobicContact CH2-CG 4.26Å; W44-L269 HydrophobicContact CZ2-CD1 4.38Å; W44-L269 HydrophobicContact CZ3-CD1 3.69Å; W44-L269 HydrophobicContact CZ3-CD2 4.14Å; W44-L269 HydrophobicContact CZ3-CG 4.43Å; E265-L269 WeakPolarHBondContact O-CG 3.18Å; E265-L269 PolarHBondContact O-N 3.35Å; L266-L269 PolarHBondContact O-N 2.92Å; E267-L269 PolarHBondContact O-N 3.2Å; L269-D271 VanDerWaalsContact C-N 3.3Å; L269-D271 PolarHBondContact O-N 3.21Å; L269-H272 WeakPolarHBondContact O-CB 3.32Å; L269-H272 PolarHBondContact O-N 3.5Å; L269-F273 HydrophobicContact CB-CD2 4.46Å; L269-F273 HydrophobicContact CB-CE2 3.69Å; L269-F273 HydrophobicContact CB-CZ 3.86Å; L269-F273 HydrophobicContact CD1-CZ 4.43Å; L269-F273 WeakPolarHBondContact O-CD2 3.38Å; L269-F273 PolarHBondContact O-N 3.24Å; L269-L358 HydrophobicContact CB-CD2 4.46Å; L269-L358 HydrophobicContact CD1-CD1 4.23Å; L269-L358 HydrophobicContact CD2-CD1 3.98Å; L269-I449 HydrophobicContact CD1-CD1 3.64Å; L269-I449 HydrophobicContact CD1-CG1 3.8Å; L269-I449 HydrophobicContact CD1-CG2 4.43Å |
| 270 | K | 91.5 | Very high | 87.7 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.4 | -43.8 | -173.5 | -175.5 | 174.9 | 177.5 | 177.2 | 0 | 113.8 | L266 E267 H272 F273 Q274 | L266-K270 PolarHBondContact O-N 3.27Å; E267-K270 WeakPolarHBondContact O-CB 3.2Å; E267-K270 PolarHBondContact O-N 3.11Å; E267-K270 VanDerWaalsContact O-N 3.11Å; K270-H272 PolarHBondContact O-N 2.9Å; K270-F273 PolarHBondContact O-N 3.39Å; K270-Q274 PolarHBondContact O-N 3.5Å |
| 271 | D | 91.8 | Very high | 89.3 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.7 | -35.9 | -178.8 | -64.1 | -20.1 | 0 | 0 | 0 | 111.7 | L269 Q274 Q275 | L269-D271 VanDerWaalsContact C-N 3.3Å; L269-D271 PolarHBondContact O-N 3.21Å; D271-Q274 WeakPolarHBondContact O-CB 3.32Å; D271-Q274 PolarHBondContact O-N 3.17Å; D271-Q275 WeakPolarHBondContact O-CG 3.3Å; D271-Q275 PolarHBondContact O-N 3.27Å |
| 272 | H | 93.4 | Very high | 90.1 | Very high | 41 Ų | 41 | 59 Ų | 59 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 177.8 | -60.1 | 83.4 | 0 | 0 | 0 | 111.6 | W42 L269 K270 Q274 Q275 L276 T354 A355 L358 | W42-H272 AromaticContact CH2-NE2 3.64Å; L269-H272 WeakPolarHBondContact O-CB 3.32Å; L269-H272 PolarHBondContact O-N 3.5Å; K270-H272 PolarHBondContact O-N 2.9Å; H272-Q274 VanDerWaalsContact C-N 3.26Å; H272-Q274 PolarHBondContact O-N 3.42Å; H272-Q275 WeakPolarHBondContact O-CB 3.42Å; H272-Q275 PolarHBondContact O-N 3.15Å; H272-L276 PolarHBondContact O-N 3.27Å; H272-T354 WeakPolarHBondContact NE2-CG2 3.44Å; H272-A355 HydrophobicContact CB-CB 4.15Å; H272-A355 WeakPolarHBondContact O-CB 3.48Å; H272-L358 HydrophobicContact CB-CD2 3.58Å |
| 273 | F | 93.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.4 | -55.1 | -49.2 | 0 | 0 | 0 | 111 | L266 L269 K270 L276 S277 L358 I449 K452 S453 | L266-F273 HydrophobicContact CD2-CE2 4.35Å; L266-F273 HydrophobicContact CD2-CZ 4.2Å; L269-F273 HydrophobicContact CB-CD2 4.46Å; L269-F273 HydrophobicContact CB-CE2 3.69Å; L269-F273 HydrophobicContact CB-CZ 3.86Å; L269-F273 HydrophobicContact CD1-CZ 4.43Å; L269-F273 WeakPolarHBondContact O-CD2 3.38Å; L269-F273 PolarHBondContact O-N 3.24Å; K270-F273 PolarHBondContact O-N 3.39Å; F273-L276 PolarHBondContact O-N 3.42Å; F273-S277 PolarHBondContact O-N 3.15Å; F273-L358 HydrophobicContact CD1-CD2 4.42Å; F273-L358 HydrophobicContact CE1-CD2 3.92Å; F273-L358 HydrophobicContact CZ-CD2 4.41Å; F273-I449 HydrophobicContact CE1-CG2 4.32Å; F273-I449 HydrophobicContact CZ-CG2 4.34Å; F273-K452 HydrophobicContact CD1-CG 4.39Å; F273-K452 HydrophobicContact CD2-CD 4.08Å; F273-K452 HydrophobicContact CD2-CG 4.17Å; F273-K452 HydrophobicContact CE1-CB 4.21Å; F273-K452 HydrophobicContact CE1-CG 4.42Å; F273-K452 HydrophobicContact CE2-CD 3.85Å; F273-K452 HydrophobicContact CE2-CG 4.2Å; F273-K452 HydrophobicContact CG-CG 4.28Å; F273-K452 HydrophobicContact CZ-CB 4.25Å; F273-K452 HydrophobicContact CZ-CD 4.27Å; F273-K452 HydrophobicContact CZ-CG 4.32Å; F273-S453 WeakPolarHBondContact CE1-OG 3.29Å |
| 274 | Q | 93.1 | Very high | 91.3 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.8 | -172.6 | 172.8 | -14.8 | 0 | 0 | 111.5 | K270 D271 H272 L276 S277 T278 | K270-Q274 PolarHBondContact O-N 3.5Å; D271-Q274 WeakPolarHBondContact O-CB 3.32Å; D271-Q274 PolarHBondContact O-N 3.17Å; H272-Q274 VanDerWaalsContact C-N 3.26Å; H272-Q274 PolarHBondContact O-N 3.42Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.48Å; Q274-S277 WeakPolarHBondContact CA-OG 3.31Å; Q274-S277 PolarHBondContact O-N 2.93Å; Q274-S277 VanDerWaalsContact O-N 3.09Å; Q274-S277 PolarHBondContact O-OG 3.48Å; Q274-T278 HydrophobicContact CG-CG2 4.15Å; Q274-T278 WeakPolarHBondContact O-CG2 3.28Å; Q274-T278 PolarHBondContact O-N 2.89Å; Q274-T278 PolarHBondContact O-OG1 3.05Å; Q274-T278 VanDerWaalsContact O-OG1 3.14Å |
| 275 | Q | 92.8 | Very high | 91.6 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.9 | -47.3 | 175.1 | -67.8 | -53.2 | -53.6 | 0 | 0 | 111.5 | D271 H272 S277 T278 P351 A355 | D271-Q275 WeakPolarHBondContact O-CG 3.3Å; D271-Q275 PolarHBondContact O-N 3.27Å; H272-Q275 WeakPolarHBondContact O-CB 3.42Å; H272-Q275 PolarHBondContact O-N 3.15Å; Q275-S277 PolarHBondContact O-N 3.37Å; Q275-T278 PolarHBondContact O-N 2.78Å; Q275-T278 PolarHBondContact O-OG1 3.08Å; Q275-P351 HydrophobicContact CG-CB 3.96Å; Q275-A355 HydrophobicContact CB-CB 4.06Å |
| 276 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.7 | -60.7 | 172.4 | 0 | 0 | 0 | 111.8 | H272 F273 Q274 T278 L279 R284 A355 L356 V359 L457 | H272-L276 PolarHBondContact O-N 3.27Å; F273-L276 PolarHBondContact O-N 3.42Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.48Å; L276-T278 VanDerWaalsContact C-N 3.29Å; L276-T278 PolarHBondContact O-N 3.39Å; L276-L279 WeakPolarHBondContact O-CB 3.42Å; L276-L279 PolarHBondContact O-N 2.77Å; L276-R284 WeakPolarHBondContact O-CD 3.44Å; L276-R284 WeakPolarHBondContact O-CG 3.33Å; L276-A355 HydrophobicContact CD2-CB 3.83Å; L276-A355 HydrophobicContact CG-CB 3.93Å; L276-L356 HydrophobicContact CD2-CD2 4.26Å; L276-L356 HydrophobicContact CD2-CG 4.32Å; L276-V359 HydrophobicContact CD1-CG2 3.5Å; L276-V359 VanDerWaalsContact CD1-CG2 3.5Å; L276-V359 HydrophobicContact CD2-CG2 4.37Å; L276-L457 HydrophobicContact CB-CD2 4.09Å; L276-L457 HydrophobicContact CB-CG 4.42Å; L276-L457 HydrophobicContact CD2-CD2 4.12Å |
| 277 | S | 91.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -27.5 | -178.5 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | F273 Q274 Q275 R284 S456 | F273-S277 PolarHBondContact O-N 3.15Å; Q274-S277 WeakPolarHBondContact CA-OG 3.31Å; Q274-S277 PolarHBondContact O-N 2.93Å; Q274-S277 VanDerWaalsContact O-N 3.09Å; Q274-S277 PolarHBondContact O-OG 3.48Å; Q275-S277 PolarHBondContact O-N 3.37Å; S277-R284 PolarHBondContact O-NH1 3.13Å; S277-S456 WeakPolarHBondContact CA-O 3.41Å |
| 278 | T | 92.1 | Very high | 92.5 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -84.1 | -8.8 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | Q274 Q275 L276 | Q274-T278 HydrophobicContact CG-CG2 4.15Å; Q274-T278 WeakPolarHBondContact O-CG2 3.28Å; Q274-T278 PolarHBondContact O-N 2.89Å; Q274-T278 PolarHBondContact O-OG1 3.05Å; Q274-T278 VanDerWaalsContact O-OG1 3.14Å; Q275-T278 PolarHBondContact O-N 2.78Å; Q275-T278 PolarHBondContact O-OG1 3.08Å; L276-T278 VanDerWaalsContact C-N 3.29Å; L276-T278 PolarHBondContact O-N 3.39Å |
| 279 | L | 91.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -62.3 | 154.2 | 175.1 | -68.2 | 174.3 | 0 | 0 | 0 | 111 | L276 T283 R284 L287 V352 | L276-L279 WeakPolarHBondContact O-CB 3.42Å; L276-L279 PolarHBondContact O-N 2.77Å; L279-T283 HydrophobicContact CD1-CG2 4.45Å; L279-R284 HydrophobicContact CB-CG 3.54Å; L279-R284 VanDerWaalsContact O-CD 3.27Å; L279-R284 WeakPolarHBondContact O-CD 3.45Å; L279-R284 PolarHBondContact O-NE 3.35Å; L279-R284 VanDerWaalsContact O-NE 3.17Å; L279-L287 HydrophobicContact CD1-CD1 3.69Å; L279-V352 HydrophobicContact CD1-CG1 4.22Å; L279-V352 HydrophobicContact CD2-CG1 4.06Å; L279-V352 HydrophobicContact CD2-CG2 3.87Å |
| 280 | P | 92.7 | Very high | 92.8 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | trans | -53.8 | 142.8 | 174.6 | -24.6 | 33.6 | 0 | 0 | 0 | 111.9 | S282 T283 R284 | P280-S282 VanDerWaalsContact C-N 3.27Å; P280-S282 PolarHBondContact O-N 2.97Å; P280-T283 WeakPolarHBondContact O-CA 3.19Å; P280-T283 WeakPolarHBondContact O-CB 3.43Å; P280-T283 PolarHBondContact O-N 3.17Å; P280-R284 PolarHBondContact O-N 3.45Å | ||
| 281 | A | 92.1 | Very high | 93 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.9 | -43.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T283 R284 S285 | A281-T283 PolarHBondContact O-N 3.05Å; A281-R284 PolarHBondContact O-N 3.46Å; A281-S285 PolarHBondContact O-N 3.08Å; A281-S285 PolarHBondContact O-OG 3.02Å; A281-S285 VanDerWaalsContact O-OG 3.1Å |
| 282 | S | 90.8 | Very high | 93.1 | Very high | 93 Ų | 93 | 43.3 Ų | 43.3 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.1 | -42 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 113 | P280 S286 | P280-S282 VanDerWaalsContact C-N 3.27Å; P280-S282 PolarHBondContact O-N 2.97Å; S282-S286 VanDerWaalsContact O-CB 3.3Å; S282-S286 WeakPolarHBondContact O-CB 3.43Å; S282-S286 PolarHBondContact O-N 3.37Å |
| 283 | T | 91.8 | Very high | 93.1 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.4 | -54 | 0 | 0 | 0 | 0 | 111.1 | L279 P280 A281 S286 L287 V338 | L279-T283 HydrophobicContact CD1-CG2 4.45Å; P280-T283 WeakPolarHBondContact O-CA 3.19Å; P280-T283 WeakPolarHBondContact O-CB 3.43Å; P280-T283 PolarHBondContact O-N 3.17Å; A281-T283 PolarHBondContact O-N 3.05Å; T283-S286 PolarHBondContact O-N 3.46Å; T283-L287 HydrophobicContact CG2-CD1 4.11Å; T283-L287 HydrophobicContact CG2-CG 4.45Å; T283-L287 WeakPolarHBondContact O-CB 3.16Å; T283-L287 WeakPolarHBondContact O-CG 3.26Å; T283-L287 PolarHBondContact O-N 2.92Å; T283-V338 HydrophobicContact CG2-CB 4.46Å; T283-V338 HydrophobicContact CG2-CG1 3.44Å; T283-V338 VanDerWaalsContact CG2-CG1 3.44Å; T283-V338 HydrophobicContact CG2-CG2 4.12Å |
| 284 | R | 92.9 | Very high | 93 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 178.4 | -67.1 | -177.5 | -55.6 | 160.7 | 19.7 | 111.9 | L276 S277 L279 P280 A281 S286 L287 L288 L457 C459 G460 | L276-R284 WeakPolarHBondContact O-CD 3.44Å; L276-R284 WeakPolarHBondContact O-CG 3.33Å; S277-R284 PolarHBondContact O-NH1 3.13Å; L279-R284 HydrophobicContact CB-CG 3.54Å; L279-R284 VanDerWaalsContact O-CD 3.27Å; L279-R284 WeakPolarHBondContact O-CD 3.45Å; L279-R284 PolarHBondContact O-NE 3.35Å; L279-R284 VanDerWaalsContact O-NE 3.17Å; P280-R284 PolarHBondContact O-N 3.45Å; A281-R284 PolarHBondContact O-N 3.46Å; R284-S286 VanDerWaalsContact C-N 3.31Å; R284-S286 PolarHBondContact O-N 2.88Å; R284-L287 PolarHBondContact O-N 3.25Å; R284-L288 WeakPolarHBondContact O-CB 3.15Å; R284-L288 PolarHBondContact O-N 2.91Å; R284-L457 HydrophobicContact CB-CD2 4.49Å; R284-L457 WeakPolarHBondContact CB-O 3.47Å; R284-L457 HydrophobicContact CG-CD2 4.43Å; R284-C459 PolarHBondContact NH1-O 3.38Å; R284-C459 PolarHBondContact NH2-O 3.42Å; R284-G460 PolarHBondContact NH2-O 3.3Å |
| 285 | S | 91.6 | Very high | 93 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | A281 R289 C461 | A281-S285 PolarHBondContact O-N 3.08Å; A281-S285 PolarHBondContact O-OG 3.02Å; A281-S285 VanDerWaalsContact O-OG 3.1Å; S285-R289 WeakPolarHBondContact O-CB 3.34Å; S285-R289 PolarHBondContact O-N 3.05Å; S285-C461 WeakPolarHBondContact OG-CB 3.04Å; S285-C461 PolarHBondContact OG-SG 3.14Å |
| 286 | S | 93 | Very high | 92.8 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -49 | 176.4 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | S282 T283 R284 R289 H290 | S282-S286 VanDerWaalsContact O-CB 3.3Å; S282-S286 WeakPolarHBondContact O-CB 3.43Å; S282-S286 PolarHBondContact O-N 3.37Å; T283-S286 PolarHBondContact O-N 3.46Å; R284-S286 VanDerWaalsContact C-N 3.31Å; R284-S286 PolarHBondContact O-N 2.88Å; S286-R289 PolarHBondContact O-N 3.37Å; S286-H290 PolarHBondContact O-CD2 3.05Å; S286-H290 PolarHBondContact O-N 3Å; S286-H290 PolarHBondContact OG-CD2 3.3Å |
| 287 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.4 | -76.3 | 172.8 | 0 | 0 | 0 | 111.7 | L279 T283 R284 R289 H290 I291 V335 V338 L356 L457 | L279-L287 HydrophobicContact CD1-CD1 3.69Å; T283-L287 HydrophobicContact CG2-CD1 4.11Å; T283-L287 HydrophobicContact CG2-CG 4.45Å; T283-L287 WeakPolarHBondContact O-CB 3.16Å; T283-L287 WeakPolarHBondContact O-CG 3.26Å; T283-L287 PolarHBondContact O-N 2.92Å; R284-L287 PolarHBondContact O-N 3.25Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.3Å; L287-H290 PolarHBondContact O-N 3.46Å; L287-I291 WeakPolarHBondContact O-CB 3.47Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 2.96Å; L287-V335 HydrophobicContact CD2-CG1 4.4Å; L287-V335 HydrophobicContact CD2-CG2 4.33Å; L287-V338 HydrophobicContact CD1-CG1 3.99Å; L287-V338 HydrophobicContact CD2-CB 4.08Å; L287-V338 HydrophobicContact CD2-CG1 4.09Å; L287-V338 HydrophobicContact CD2-CG2 4.05Å; L287-V338 HydrophobicContact CG-CG1 4.21Å; L287-V338 HydrophobicContact CG-CG2 4.33Å; L287-L356 HydrophobicContact CD1-CD1 4.32Å; L287-L356 HydrophobicContact CD1-CD2 4.19Å; L287-L356 HydrophobicContact CD2-CD1 4.1Å; L287-L356 HydrophobicContact CD2-CD2 4.16Å; L287-L457 HydrophobicContact CB-CD1 4.45Å; L287-L457 HydrophobicContact CB-CD2 4.17Å; L287-L457 HydrophobicContact CD1-CD2 4.05Å |
| 288 | L | 95.3 | Very high | 92 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 178 | -178.8 | 61.6 | 0 | 0 | 0 | 110.9 | R284 T292 C378 L383 L454 L457 A458 | R284-L288 WeakPolarHBondContact O-CB 3.15Å; R284-L288 PolarHBondContact O-N 2.91Å; L288-T292 WeakPolarHBondContact O-CB 3.39Å; L288-T292 PolarHBondContact O-N 2.69Å; L288-T292 PolarHBondContact O-OG1 2.93Å; L288-C378 HydrophobicContact CD1-CB 4.5Å; L288-L383 HydrophobicContact CD1-CD1 4.14Å; L288-L383 HydrophobicContact CD2-CD1 4.24Å; L288-L454 HydrophobicContact CD1-CB 4.47Å; L288-L454 HydrophobicContact CD1-CD2 3.94Å; L288-L457 HydrophobicContact CB-CB 4.12Å; L288-L457 HydrophobicContact CD1-CB 4.37Å; L288-A458 HydrophobicContact CD2-CB 3.84Å |
| 289 | R | 94.6 | Very high | 91.5 | Very high | 130 Ų | 130 | 43 Ų | 43 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -50.3 | 178.3 | -176.9 | -177.9 | 57.6 | 70.5 | 4 | 111.7 | S285 S286 L287 T292 E293 | S285-R289 WeakPolarHBondContact O-CB 3.34Å; S285-R289 PolarHBondContact O-N 3.05Å; S286-R289 PolarHBondContact O-N 3.37Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.3Å; R289-T292 PolarHBondContact O-N 3.13Å; R289-E293 PolarHBondContact O-N 3.05Å |
| 290 | H | 95.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 42 Ų | 42 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | -178.5 | -73.7 | -62 | 0 | 0 | 0 | 112.6 | S286 L287 E293 L294 S331 A334 V335 | S286-H290 PolarHBondContact O-CD2 3.05Å; S286-H290 PolarHBondContact O-N 3Å; S286-H290 PolarHBondContact OG-CD2 3.3Å; L287-H290 PolarHBondContact O-N 3.46Å; H290-E293 PolarHBondContact O-N 2.69Å; H290-L294 VanDerWaalsContact O-CG 3.3Å; H290-L294 WeakPolarHBondContact O-CG 3.46Å; H290-L294 PolarHBondContact O-N 3.49Å; H290-L294 VanDerWaalsContact O-N 3.12Å; H290-S331 WeakPolarHBondContact ND1-CA 3.45Å; H290-S331 WeakPolarHBondContact ND1-CB 3.39Å; H290-S331 PolarHBondContact ND1-OG 2.89Å; H290-A334 VanDerWaalsContact CE1-CB 3.42Å; H290-A334 WeakPolarHBondContact CE1-CB 3.44Å; H290-A334 WeakPolarHBondContact NE2-CB 3.42Å; H290-V335 HydrophobicContact CB-CG2 3.91Å |
| 291 | I | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.7 | -67.8 | 168.1 | 0 | 0 | 0 | 110.1 | L287 E293 L294 M295 L356 V359 L363 L454 L457 | L287-I291 WeakPolarHBondContact O-CB 3.47Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 2.96Å; I291-E293 VanDerWaalsContact C-N 3.32Å; I291-E293 PolarHBondContact O-N 3.32Å; I291-L294 PolarHBondContact O-N 3.21Å; I291-L294 VanDerWaalsContact O-N 3.16Å; I291-M295 HydrophobicContact CG2-CG 4.36Å; I291-M295 HydrophobicContact CG2-SD 3.99Å; I291-M295 VanDerWaalsContact O-CG 3.24Å; I291-M295 WeakPolarHBondContact O-CG 3.4Å; I291-M295 PolarHBondContact O-N 3.44Å; I291-L356 HydrophobicContact CD1-CD2 4.1Å; I291-V359 HydrophobicContact CD1-CG1 4.49Å; I291-L363 HydrophobicContact CG2-CD1 3.48Å; I291-L363 VanDerWaalsContact CG2-CD1 3.48Å; I291-L454 HydrophobicContact CG2-CD2 4.17Å; I291-L457 HydrophobicContact CD1-CD1 3.92Å |
| 292 | T | 93.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.9 | -59 | 0 | 0 | 0 | 0 | 112 | L288 R289 M295 S375 C378 | L288-T292 WeakPolarHBondContact O-CB 3.39Å; L288-T292 PolarHBondContact O-N 2.69Å; L288-T292 PolarHBondContact O-OG1 2.93Å; R289-T292 PolarHBondContact O-N 3.13Å; T292-M295 PolarHBondContact O-N 3.03Å; T292-S375 WeakPolarHBondContact CG2-O 3.39Å; T292-C378 HydrophobicContact CG2-CB 3.73Å; T292-C378 WeakPolarHBondContact OG1-CB 3.19Å |
| 293 | E | 92.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 174.3 | -172.1 | -178.1 | 158.8 | 0 | 0 | 111.7 | R289 H290 I291 M295 Q296 S327 S331 | R289-E293 PolarHBondContact O-N 3.05Å; H290-E293 PolarHBondContact O-N 2.69Å; I291-E293 VanDerWaalsContact C-N 3.32Å; I291-E293 PolarHBondContact O-N 3.32Å; E293-M295 VanDerWaalsContact C-N 3.32Å; E293-M295 PolarHBondContact O-N 3.24Å; E293-Q296 WeakPolarHBondContact O-CB 3.23Å; E293-Q296 PolarHBondContact O-N 3.34Å; E293-S327 WeakPolarHBondContact OE1-CB 3.45Å; E293-S327 PolarHBondContact OE1-OG 3.42Å; E293-S331 PolarHBondContact OE2-OG 2.86Å |
| 294 | L | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -31.9 | 178.6 | -64 | 170 | 0 | 0 | 0 | 112.4 | H290 I291 Q296 E297 A300 I301 L304 Q328 I332 | H290-L294 VanDerWaalsContact O-CG 3.3Å; H290-L294 WeakPolarHBondContact O-CG 3.46Å; H290-L294 PolarHBondContact O-N 3.49Å; H290-L294 VanDerWaalsContact O-N 3.12Å; I291-L294 PolarHBondContact O-N 3.21Å; I291-L294 VanDerWaalsContact O-N 3.16Å; L294-Q296 PolarHBondContact O-N 3.43Å; L294-E297 PolarHBondContact O-N 3.46Å; L294-A300 HydrophobicContact CB-CB 4.33Å; L294-A300 HydrophobicContact CD2-CB 3.82Å; L294-I301 HydrophobicContact CB-CD1 3.66Å; L294-I301 HydrophobicContact CB-CG1 4.26Å; L294-L304 HydrophobicContact CD1-CD2 3.75Å; L294-Q328 HydrophobicContact CD2-CB 3.92Å; L294-Q328 HydrophobicContact CD2-CG 4.26Å; L294-I332 HydrophobicContact CD1-CG1 3.93Å; L294-I332 HydrophobicContact CD2-CD1 4.31Å; L294-I332 HydrophobicContact CD2-CG1 3.85Å |
| 295 | M | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -17.5 | 178.2 | -71.3 | 166.7 | 62.7 | 0 | 0 | 114 | I291 T292 E293 E297 I301 L363 L371 L374 L454 | I291-M295 HydrophobicContact CG2-CG 4.36Å; I291-M295 HydrophobicContact CG2-SD 3.99Å; I291-M295 VanDerWaalsContact O-CG 3.24Å; I291-M295 WeakPolarHBondContact O-CG 3.4Å; I291-M295 PolarHBondContact O-N 3.44Å; T292-M295 PolarHBondContact O-N 3.03Å; E293-M295 VanDerWaalsContact C-N 3.32Å; E293-M295 PolarHBondContact O-N 3.24Å; M295-E297 PolarHBondContact O-N 2.99Å; M295-I301 HydrophobicContact CG-CD1 3.95Å; M295-I301 HydrophobicContact CG-CG1 4.25Å; M295-L363 HydrophobicContact CE-CD2 3.9Å; M295-L363 HydrophobicContact CG-CD1 4.05Å; M295-L363 HydrophobicContact CG-CD2 4.43Å; M295-L363 HydrophobicContact SD-CD1 3.93Å; M295-L363 HydrophobicContact SD-CD2 4Å; M295-L371 HydrophobicContact CE-CD2 4.37Å; M295-L371 HydrophobicContact CG-CD2 4.22Å; M295-L371 CarbonylContact O-C 3.42Å; M295-L371 VanDerWaalsContact O-C 3.27Å; M295-L374 HydrophobicContact CE-CB 3.84Å; M295-L374 HydrophobicContact CE-CD2 3.76Å; M295-L374 HydrophobicContact CE-CG 3.66Å; M295-L454 HydrophobicContact CE-CD1 4.17Å; M295-L454 HydrophobicContact SD-CD1 4.37Å; M295-L454 HydrophobicContact SD-CD2 4.32Å |
| 296 | Q | 88.1 | Confident | 90.3 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 54% | 0.537 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.8 | 175.8 | -62.8 | -178 | 24.8 | 0 | 0 | 112.6 | E293 L294 | E293-Q296 WeakPolarHBondContact O-CB 3.23Å; E293-Q296 PolarHBondContact O-N 3.34Å; L294-Q296 PolarHBondContact O-N 3.43Å |
| 297 | E | 83.1 | Confident | 89.9 | Confident | 78 Ų | 78 | 31.8 Ų | 31.8 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -134.7 | 104 | -176.6 | -66.2 | -82.3 | -165.2 | 0 | 0 | 108.6 | L294 M295 A299 A300 K325 Q328 | L294-E297 PolarHBondContact O-N 3.46Å; M295-E297 PolarHBondContact O-N 2.99Å; E297-A299 PolarHBondContact O-N 3.28Å; E297-A300 HydrophobicContact CB-CB 4.34Å; E297-A300 WeakPolarHBondContact O-CB 3.45Å; E297-A300 PolarHBondContact O-N 2.83Å; E297-K325 IonicContact OE1-NZ 2.85Å; E297-K325 PolarHBondContact OE1-NZ 2.99Å; E297-Q328 VanDerWaalsContact CB-NE2 3.29Å; E297-Q328 VanDerWaalsContact CG-NE2 3.33Å |
| 298 | P | 84.8 | Confident | 89.5 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 22% | 0.221 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.8 | -32.6 | -175.8 | -30.3 | 36 | 0 | 0 | 0 | 114.4 | A300 I301 C302 D368 L371 | P298-A300 VanDerWaalsContact C-N 3.28Å; P298-A300 PolarHBondContact O-N 2.79Å; P298-I301 PolarHBondContact O-N 2.67Å; P298-C302 PolarHBondContact O-N 3.25Å; P298-C302 VanDerWaalsContact O-N 3.07Å; P298-D368 HydrophobicContact CB-CB 4.21Å; P298-D368 HydrophobicContact CG-CB 3.99Å; P298-D368 VanDerWaalsContact CG-O 3.29Å; P298-D368 WeakPolarHBondContact CG-O 3.49Å; P298-L371 HydrophobicContact CB-CD1 4.04Å; P298-L371 HydrophobicContact CG-CB 4.47Å; P298-L371 HydrophobicContact CG-CD1 4.26Å |
| 299 | A | 82.8 | Confident | 88.9 | Confident | 65 Ų | 65 | 32.5 Ų | 32.5 | 54% | 0.537 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.4 | -33.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E297 C302 T303 | E297-A299 PolarHBondContact O-N 3.28Å; A299-C302 PolarHBondContact O-N 2.97Å; A299-T303 PolarHBondContact O-N 2.87Å; A299-T303 PolarHBondContact O-OG1 3.28Å; A299-T303 VanDerWaalsContact O-OG1 3.11Å |
| 300 | A | 87.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L294 E297 P298 T303 L304 L324 Q328 | L294-A300 HydrophobicContact CB-CB 4.33Å; L294-A300 HydrophobicContact CD2-CB 3.82Å; E297-A300 HydrophobicContact CB-CB 4.34Å; E297-A300 WeakPolarHBondContact O-CB 3.45Å; E297-A300 PolarHBondContact O-N 2.83Å; P298-A300 VanDerWaalsContact C-N 3.28Å; P298-A300 PolarHBondContact O-N 2.79Å; A300-T303 PolarHBondContact O-N 3.35Å; A300-L304 PolarHBondContact O-N 3.29Å; A300-L324 HydrophobicContact CB-CD2 3.98Å; A300-Q328 HydrophobicContact CB-CG 4.28Å |
| 301 | I | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 171.5 | -67.9 | -65 | 0 | 0 | 0 | 110.9 | L294 M295 P298 T303 L304 Q305 V360 L363 E364 | L294-I301 HydrophobicContact CB-CD1 3.66Å; L294-I301 HydrophobicContact CB-CG1 4.26Å; M295-I301 HydrophobicContact CG-CD1 3.95Å; M295-I301 HydrophobicContact CG-CG1 4.25Å; P298-I301 PolarHBondContact O-N 2.67Å; I301-T303 VanDerWaalsContact C-N 3.34Å; I301-T303 PolarHBondContact O-N 3.09Å; I301-L304 PolarHBondContact O-N 3.25Å; I301-Q305 WeakPolarHBondContact O-CB 3.46Å; I301-Q305 PolarHBondContact O-N 3.38Å; I301-V360 HydrophobicContact CG2-CG1 4.36Å; I301-L363 HydrophobicContact CD1-CD1 4.32Å; I301-L363 HydrophobicContact CG2-CB 4.02Å; I301-E364 HydrophobicContact CG2-CB 3.93Å |
| 302 | C | 87.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 174.7 | -179 | 0 | 0 | 0 | 0 | 111.9 | P298 A299 L304 Q305 N306 | P298-C302 PolarHBondContact O-N 3.25Å; P298-C302 VanDerWaalsContact O-N 3.07Å; A299-C302 PolarHBondContact O-N 2.97Å; C302-L304 PolarHBondContact O-N 2.99Å; C302-Q305 PolarHBondContact O-N 3.38Å; C302-N306 WeakPolarHBondContact O-CB 3.28Å; C302-N306 VanDerWaalsContact O-CG 3.22Å; C302-N306 PolarHBondContact O-N 3.06Å; C302-N306 PolarHBondContact O-ND2 3.17Å |
| 303 | T | 86.6 | Confident | 85.3 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 14% | 0.141 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | A299 A300 I301 N306 M307 L324 I332 | A299-T303 PolarHBondContact O-N 2.87Å; A299-T303 PolarHBondContact O-OG1 3.28Å; A299-T303 VanDerWaalsContact O-OG1 3.11Å; A300-T303 PolarHBondContact O-N 3.35Å; I301-T303 VanDerWaalsContact C-N 3.34Å; I301-T303 PolarHBondContact O-N 3.09Å; T303-N306 PolarHBondContact O-N 2.82Å; T303-M307 HydrophobicContact CG2-CE 3.48Å; T303-M307 VanDerWaalsContact CG2-CE 3.48Å; T303-M307 WeakPolarHBondContact O-CG 3.41Å; T303-M307 PolarHBondContact O-N 2.87Å; T303-M307 VanDerWaalsContact O-N 3.11Å; T303-L324 HydrophobicContact CG2-CD1 3.77Å; T303-I332 HydrophobicContact CG2-CD1 4.22Å |
| 304 | L | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.6 | 180 | 60.9 | 0 | 0 | 0 | 111.6 | L294 A300 I301 C302 N306 M307 L308 I332 V335 F336 V360 | L294-L304 HydrophobicContact CD1-CD2 3.75Å; A300-L304 PolarHBondContact O-N 3.29Å; I301-L304 PolarHBondContact O-N 3.25Å; C302-L304 PolarHBondContact O-N 2.99Å; L304-N306 VanDerWaalsContact C-N 3.34Å; L304-N306 PolarHBondContact O-N 3.48Å; L304-M307 PolarHBondContact O-N 3.44Å; L304-L308 HydrophobicContact CD1-CD1 4.44Å; L304-L308 HydrophobicContact CD1-CG 4.47Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.07Å; L304-I332 HydrophobicContact CB-CG1 4.44Å; L304-I332 HydrophobicContact CD1-CG1 4.48Å; L304-I332 HydrophobicContact CD1-CG2 4.18Å; L304-V335 HydrophobicContact CD1-CG1 4.24Å; L304-F336 HydrophobicContact CD1-CE2 3.99Å; L304-F336 HydrophobicContact CD1-CZ 4.01Å; L304-V360 HydrophobicContact CB-CG1 4.29Å; L304-V360 HydrophobicContact CD2-CG1 4.11Å; L304-V360 HydrophobicContact CD2-CG2 3.61Å; L304-V360 HydrophobicContact CG-CG1 4.01Å; L304-V360 HydrophobicContact CG-CG2 4.13Å |
| 305 | Q | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 176.9 | -179.9 | 54.5 | 41.9 | 0 | 0 | 111.4 | I301 C302 M307 L308 D309 H357 V360 S361 E364 | I301-Q305 WeakPolarHBondContact O-CB 3.46Å; I301-Q305 PolarHBondContact O-N 3.38Å; C302-Q305 PolarHBondContact O-N 3.38Å; Q305-M307 VanDerWaalsContact C-N 3.28Å; Q305-M307 PolarHBondContact O-N 3.05Å; Q305-L308 PolarHBondContact O-N 3.33Å; Q305-D309 PolarHBondContact NE2-OD1 3.4Å; Q305-D309 PolarHBondContact NE2-OD2 2.84Å; Q305-D309 PolarHBondContact O-N 2.67Å; Q305-H357 PolarHBondContact NE2-NE2 3.2Å; Q305-V360 HydrophobicContact CB-CG1 3.81Å; Q305-S361 PolarHBondContact NE2-OG 3.4Å; Q305-S361 VanDerWaalsContact OE1-CA 3.27Å; Q305-S361 VanDerWaalsContact OE1-N 3.08Å; Q305-S361 PolarHBondContact OE1-OG 3.16Å; Q305-E364 HydrophobicContact CB-CB 4.36Å; Q305-E364 HydrophobicContact CB-CG 4.24Å; Q305-E364 HydrophobicContact CG-CB 4.39Å; Q305-E364 HydrophobicContact CG-CG 4.26Å |
| 306 | N | 83.5 | Confident | 82.1 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 179.4 | -70.7 | -27.4 | 0 | 0 | 0 | 112.4 | K48 C302 T303 L304 R310 | K48-N306 PolarHBondContact NZ-OD1 3.26Å; C302-N306 WeakPolarHBondContact O-CB 3.28Å; C302-N306 VanDerWaalsContact O-CG 3.22Å; C302-N306 PolarHBondContact O-N 3.06Å; C302-N306 PolarHBondContact O-ND2 3.17Å; T303-N306 PolarHBondContact O-N 2.82Å; L304-N306 VanDerWaalsContact C-N 3.34Å; L304-N306 PolarHBondContact O-N 3.48Å; N306-R310 WeakPolarHBondContact O-CG 3.42Å; N306-R310 PolarHBondContact O-N 3.14Å; N306-R310 VanDerWaalsContact O-N 3.09Å |
| 307 | M | 85.1 | Confident | 81.2 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 174.6 | -68.6 | 179.3 | -167.4 | 0 | 0 | 112.1 | T303 L304 Q305 D309 R310 M311 L319 I332 F336 | T303-M307 HydrophobicContact CG2-CE 3.48Å; T303-M307 VanDerWaalsContact CG2-CE 3.48Å; T303-M307 WeakPolarHBondContact O-CG 3.41Å; T303-M307 PolarHBondContact O-N 2.87Å; T303-M307 VanDerWaalsContact O-N 3.11Å; L304-M307 PolarHBondContact O-N 3.44Å; Q305-M307 VanDerWaalsContact C-N 3.28Å; Q305-M307 PolarHBondContact O-N 3.05Å; M307-D309 VanDerWaalsContact C-N 3.34Å; M307-D309 PolarHBondContact O-N 3.43Å; M307-R310 WeakPolarHBondContact O-CB 3.47Å; M307-R310 PolarHBondContact O-N 2.97Å; M307-M311 PolarHBondContact O-N 2.89Å; M307-M311 VanDerWaalsContact O-N 3.08Å; M307-L319 HydrophobicContact CE-CB 4.37Å; M307-L319 HydrophobicContact CE-CD2 3.51Å; M307-L319 HydrophobicContact CE-CG 3.74Å; M307-L319 HydrophobicContact SD-CD2 4.25Å; M307-L319 HydrophobicContact SD-CG 4.2Å; M307-I332 HydrophobicContact SD-CG2 3.72Å; M307-F336 HydrophobicContact CB-CE2 3.92Å; M307-F336 HydrophobicContact CB-CZ 3.51Å; M307-F336 HydrophobicContact CG-CE2 4.47Å; M307-F336 HydrophobicContact SD-CE2 3.72Å; M307-F336 HydrophobicContact SD-CZ 4.3Å |
| 308 | L | 86.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.1 | -64.4 | 168.3 | 0 | 0 | 0 | 111.3 | L304 Q305 R310 M311 C312 F336 L339 F353 V360 | L304-L308 HydrophobicContact CD1-CD1 4.44Å; L304-L308 HydrophobicContact CD1-CG 4.47Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.07Å; Q305-L308 PolarHBondContact O-N 3.33Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; L308-M311 WeakPolarHBondContact O-CB 3.46Å; L308-M311 PolarHBondContact O-N 3.35Å; L308-M311 VanDerWaalsContact O-N 3.16Å; L308-C312 PolarHBondContact O-N 3Å; L308-C312 PolarHBondContact O-SG 3Å; L308-F336 HydrophobicContact CD2-CE1 3.78Å; L308-F336 HydrophobicContact CD2-CZ 4.21Å; L308-F336 HydrophobicContact CG-CE1 4.47Å; L308-F336 HydrophobicContact CG-CZ 4.43Å; L308-L339 HydrophobicContact CD2-CD1 3.83Å; L308-F353 HydrophobicContact CB-CZ 4.48Å; L308-F353 HydrophobicContact CD2-CD2 4.18Å; L308-F353 HydrophobicContact CD2-CE2 3.62Å; L308-F353 HydrophobicContact CD2-CZ 4.31Å; L308-V360 HydrophobicContact CD1-CB 3.81Å; L308-V360 HydrophobicContact CD1-CG1 4.05Å; L308-V360 HydrophobicContact CD1-CG2 3.76Å |
| 309 | D | 82.8 | Confident | 79.5 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 174 | -76.7 | -36 | 0 | 0 | 0 | 112.3 | K48 Q305 M307 C312 L313 H357 | K48-D309 IonicContact NZ-OD2 2.84Å; K48-D309 PolarHBondContact NZ-OD2 2.76Å; Q305-D309 PolarHBondContact NE2-OD1 3.4Å; Q305-D309 PolarHBondContact NE2-OD2 2.84Å; Q305-D309 PolarHBondContact O-N 2.67Å; M307-D309 VanDerWaalsContact C-N 3.34Å; M307-D309 PolarHBondContact O-N 3.43Å; D309-C312 WeakPolarHBondContact O-CA 3.47Å; D309-C312 VanDerWaalsContact O-CB 3.28Å; D309-C312 WeakPolarHBondContact O-CB 3.33Å; D309-C312 PolarHBondContact O-N 3.32Å; D309-L313 WeakPolarHBondContact O-CG 3.2Å; D309-L313 PolarHBondContact O-N 3.37Å; D309-H357 IonicContact OD1-NE2 3.35Å; D309-H357 PolarHBondContact OD1-NE2 3.28Å; D309-H357 VanDerWaalsContact OD1-NE2 3.15Å |
| 310 | R | 77.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.8 | -79.1 | 176.9 | 60.3 | 178.5 | -4 | 112 | N306 M307 L308 C312 L313 G314 K315 K316 S318 | N306-R310 WeakPolarHBondContact O-CG 3.42Å; N306-R310 PolarHBondContact O-N 3.14Å; N306-R310 VanDerWaalsContact O-N 3.09Å; M307-R310 WeakPolarHBondContact O-CB 3.47Å; M307-R310 PolarHBondContact O-N 2.97Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; R310-C312 VanDerWaalsContact C-N 3.26Å; R310-C312 PolarHBondContact O-N 3.11Å; R310-L313 CarbonylContact O-C 3.58Å; R310-L313 WeakPolarHBondContact O-CA 3.42Å; R310-L313 WeakPolarHBondContact O-CB 3.39Å; R310-L313 PolarHBondContact O-N 3.24Å; R310-G314 PolarHBondContact O-N 3.46Å; R310-K315 CarbonylContact C-O 3.57Å; R310-K315 HydrophobicContact CB-CB 4.18Å; R310-K315 WeakPolarHBondContact O-CB 3.24Å; R310-K315 PolarHBondContact O-N 3.22Å; R310-K316 PolarHBondContact NH2-O 3.34Å; R310-S318 PolarHBondContact NH1-OG 2.91Å; R310-S318 PolarHBondContact NH2-OG 3.31Å |
| 311 | M | 79.6 | Confident | 76.6 | Confident | 48 Ų | 48 | 55 Ų | 55 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -32.7 | 173.5 | -68.3 | -180 | 68.8 | 0 | 0 | 111.7 | M307 L308 L313 G314 K315 P317 F336 F353 | M307-M311 PolarHBondContact O-N 2.89Å; M307-M311 VanDerWaalsContact O-N 3.08Å; L308-M311 WeakPolarHBondContact O-CB 3.46Å; L308-M311 PolarHBondContact O-N 3.35Å; L308-M311 VanDerWaalsContact O-N 3.16Å; M311-L313 PolarHBondContact O-N 3.1Å; M311-G314 PolarHBondContact O-N 2.93Å; M311-K315 WeakPolarHBondContact CA-O 3.49Å; M311-P317 HydrophobicContact SD-CB 4.44Å; M311-P317 HydrophobicContact SD-CG 4.21Å; M311-F336 HydrophobicContact SD-CD1 3.76Å; M311-F336 HydrophobicContact SD-CE1 3.32Å; M311-F336 WeakPolarHBondContact SD-CE1 3.37Å; M311-F336 HydrophobicContact SD-CZ 4.31Å; M311-F353 HydrophobicContact CB-CE2 3.74Å; M311-F353 HydrophobicContact CB-CZ 3.77Å; M311-F353 HydrophobicContact CE-CD2 4.23Å; M311-F353 HydrophobicContact CE-CE2 3.94Å; M311-F353 HydrophobicContact CG-CE2 4.48Å; M311-F353 HydrophobicContact SD-CE2 3.98Å |
| 312 | C | 76.8 | Confident | 74.8 | Confident | 38 Ų | 38 | 61 Ų | 61 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -22.7 | 168.4 | -69 | 0 | 0 | 0 | 0 | 114.7 | L308 D309 R310 Q349 F353 | L308-C312 PolarHBondContact O-N 3Å; L308-C312 PolarHBondContact O-SG 3Å; D309-C312 WeakPolarHBondContact O-CA 3.47Å; D309-C312 VanDerWaalsContact O-CB 3.28Å; D309-C312 WeakPolarHBondContact O-CB 3.33Å; D309-C312 PolarHBondContact O-N 3.32Å; R310-C312 VanDerWaalsContact C-N 3.26Å; R310-C312 PolarHBondContact O-N 3.11Å; C312-Q349 VanDerWaalsContact CA-NE2 3.28Å; C312-Q349 PolarHBondContact SG-NE2 2.95Å; C312-F353 VanDerWaalsContact SG-CE1 3.58Å |
| 313 | L | 69.3 | Low | 73.6 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.6 | 176.9 | -60 | 173.2 | 0 | 0 | 0 | 112.8 | K148 D309 R310 M311 K315 | K148-L313 HydrophobicContact CD-CD2 4.42Å; D309-L313 WeakPolarHBondContact O-CG 3.2Å; D309-L313 PolarHBondContact O-N 3.37Å; R310-L313 CarbonylContact O-C 3.58Å; R310-L313 WeakPolarHBondContact O-CA 3.42Å; R310-L313 WeakPolarHBondContact O-CB 3.39Å; R310-L313 PolarHBondContact O-N 3.24Å; M311-L313 PolarHBondContact O-N 3.1Å; L313-K315 HydrophobicContact CB-CG 4.43Å; L313-K315 PolarHBondContact O-N 3.46Å |
| 314 | G | 68.8 | Low | 73.2 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 14.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R310 M311 | R310-G314 PolarHBondContact O-N 3.46Å; M311-G314 PolarHBondContact O-N 2.93Å |
| 315 | K | 70.1 | Confident | 72.8 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 45% | 0.452 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 141.5 | 176.8 | -61.2 | -178.1 | 176.1 | -174.3 | 0 | 110 | R310 M311 L313 | R310-K315 CarbonylContact C-O 3.57Å; R310-K315 HydrophobicContact CB-CB 4.18Å; R310-K315 WeakPolarHBondContact O-CB 3.24Å; R310-K315 PolarHBondContact O-N 3.22Å; M311-K315 WeakPolarHBondContact CA-O 3.49Å; L313-K315 HydrophobicContact CB-CG 4.43Å; L313-K315 PolarHBondContact O-N 3.46Å |
| 316 | K | 70.8 | Confident | 72.4 | Confident | 181 Ų | 181 | 74.5 Ų | 74.5 | 79% | 0.787 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -63 | 143.3 | 172.3 | -68.4 | -172.3 | 177.4 | -174.8 | 0 | 111.1 | R310 S318 | R310-K316 PolarHBondContact NH2-O 3.34Å; K316-S318 PolarHBondContact O-N 2.94Å |
| 317 | P | 69.1 | Low | 72.4 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 133.1 | 169.8 | 27.5 | -31.8 | 0 | 0 | 0 | 108.6 | M311 F336 | M311-P317 HydrophobicContact SD-CB 4.44Å; M311-P317 HydrophobicContact SD-CG 4.21Å; P317-F336 HydrophobicContact CB-CE2 4.45Å; P317-F336 HydrophobicContact CB-CZ 4.37Å |
| 318 | S | 65.6 | Low | 72.6 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | trans | -128.6 | 120.5 | 167.8 | 65.9 | 0 | 0 | 0 | 0 | 109 | R310 K316 H320 | R310-S318 PolarHBondContact NH1-OG 2.91Å; R310-S318 PolarHBondContact NH2-OG 3.31Å; K316-S318 PolarHBondContact O-N 2.94Å; S318-H320 PolarHBondContact O-N 3.36Å; S318-H320 PolarHBondContact OG-CD2 2.89Å; S318-H320 PolarHBondContact OG-NE2 3.31Å; S318-H320 VanDerWaalsContact OG-NE2 3.08Å | ||
| 319 | L | 67.9 | Low | 72.6 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | trans | -76 | 100.3 | 169.9 | -82.9 | 150.1 | 0 | 0 | 0 | 107.9 | M307 I332 | M307-L319 HydrophobicContact CE-CB 4.37Å; M307-L319 HydrophobicContact CE-CD2 3.51Å; M307-L319 HydrophobicContact CE-CG 3.74Å; M307-L319 HydrophobicContact SD-CD2 4.25Å; M307-L319 HydrophobicContact SD-CG 4.2Å; L319-I332 HydrophobicContact CD2-CB 4.49Å; L319-I332 HydrophobicContact CD2-CD1 4.47Å; L319-I332 HydrophobicContact CD2-CG2 4.11Å | ||
| 320 | H | 56.6 | Low | 72.8 | Confident | 118 Ų | 118 | 80.4 Ų | 80.4 | 55% | 0.546 | 44% | 0.436 | S | S | . | . | trans | -85.8 | 141.7 | 161.4 | -69 | -74.1 | 0 | 0 | 0 | 108.1 | S318 D322 | S318-H320 PolarHBondContact O-N 3.36Å; S318-H320 PolarHBondContact OG-CD2 2.89Å; S318-H320 PolarHBondContact OG-NE2 3.31Å; S318-H320 VanDerWaalsContact OG-NE2 3.08Å; H320-D322 PolarHBondContact O-N 2.8Å | ||
| 321 | N | 52.2 | Low | 73.5 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 68% | 0.684 | 42% | 0.422 | S | S | * | . | trans | -75.5 | 66.6 | -176.6 | -163.9 | 14 | 0 | 0 | 0 | 110.3 | G323 Q329 | N321-G323 PolarHBondContact O-N 3.33Å; N321-Q329 PolarHBondContact OD1-NE2 3.23Å | ||
| 322 | D | 53.9 | Low | 74 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -82.7 | 45.2 | -175.4 | -78.7 | -15.9 | 0 | 0 | 0 | 112.2 | H320 L324 | H320-D322 PolarHBondContact O-N 2.8Å; D322-L324 VanDerWaalsContact C-N 3.3Å; D322-L324 PolarHBondContact O-N 3.48Å |
| 323 | G | 63.3 | Low | 74.6 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 77% | 0.773 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 74.4 | 15.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N321 | N321-G323 PolarHBondContact O-N 3.33Š|
| 324 | L | 76.4 | Confident | 75.6 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 9% | 0.089 | 41% | 0.407 | C | S | . | . | trans | -71.9 | 142.8 | 172.1 | -68.3 | 178.4 | 0 | 0 | 0 | 111.8 | A300 T303 D322 Q328 Q329 I332 | A300-L324 HydrophobicContact CB-CD2 3.98Å; T303-L324 HydrophobicContact CG2-CD1 3.77Å; D322-L324 VanDerWaalsContact C-N 3.3Å; D322-L324 PolarHBondContact O-N 3.48Å; L324-Q328 HydrophobicContact CB-CB 4.42Å; L324-Q328 HydrophobicContact CD2-CB 4.42Å; L324-Q329 HydrophobicContact CB-CG 3.91Å; L324-Q329 HydrophobicContact CD1-CG 4.33Å; L324-Q329 PolarHBondContact O-NE2 3.35Å; L324-I332 HydrophobicContact CD1-CD1 3.67Å | ||
| 325 | K | 82.1 | Confident | 76.7 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | trans | -65.7 | 151.1 | 169 | -64.1 | 169.5 | 179.9 | 162.4 | 0 | 109.6 | E297 S327 Q328 Q329 | E297-K325 IonicContact OE1-NZ 2.85Å; E297-K325 PolarHBondContact OE1-NZ 2.99Å; K325-S327 PolarHBondContact O-N 2.87Å; K325-Q328 HydrophobicContact CB-CG 4.15Å; K325-Q328 WeakPolarHBondContact O-CB 3.36Å; K325-Q328 PolarHBondContact O-N 3.19Å; K325-Q329 PolarHBondContact O-N 3.49Å; K325-Q329 VanDerWaalsContact O-N 3.13Å | ||
| 326 | E | 83.1 | Confident | 77.5 | Confident | 143 Ų | 143 | 65.9 Ų | 65.9 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.1 | -39.1 | 180 | -170.1 | 179.1 | 174.1 | 0 | 0 | 112.2 | Q328 Q329 Q330 | E326-Q328 VanDerWaalsContact C-N 3.31Å; E326-Q328 PolarHBondContact O-N 3.1Å; E326-Q329 PolarHBondContact O-N 3.03Å; E326-Q330 WeakPolarHBondContact O-CG 3.13Å; E326-Q330 PolarHBondContact O-N 2.9Å |
| 327 | S | 83.8 | Confident | 78.3 | Confident | 49 Ų | 49 | 63 Ų | 63 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 177.7 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | E293 K325 Q330 S331 | E293-S327 WeakPolarHBondContact OE1-CB 3.45Å; E293-S327 PolarHBondContact OE1-OG 3.42Å; K325-S327 PolarHBondContact O-N 2.87Å; S327-Q330 PolarHBondContact O-N 3.47Å; S327-S331 WeakPolarHBondContact O-CB 3.42Å; S327-S331 PolarHBondContact O-N 3.47Å; S327-S331 PolarHBondContact O-OG 3.38Å |
| 328 | Q | 87.4 | Confident | 79 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 175.8 | -64 | 171.1 | -34.7 | 0 | 0 | 111.3 | L294 E297 A300 L324 K325 E326 Q330 S331 I332 | L294-Q328 HydrophobicContact CD2-CB 3.92Å; L294-Q328 HydrophobicContact CD2-CG 4.26Å; E297-Q328 VanDerWaalsContact CB-NE2 3.29Å; E297-Q328 VanDerWaalsContact CG-NE2 3.33Å; A300-Q328 HydrophobicContact CB-CG 4.28Å; L324-Q328 HydrophobicContact CB-CB 4.42Å; L324-Q328 HydrophobicContact CD2-CB 4.42Å; K325-Q328 HydrophobicContact CB-CG 4.15Å; K325-Q328 WeakPolarHBondContact O-CB 3.36Å; K325-Q328 PolarHBondContact O-N 3.19Å; E326-Q328 VanDerWaalsContact C-N 3.31Å; E326-Q328 PolarHBondContact O-N 3.1Å; Q328-Q330 VanDerWaalsContact C-N 3.35Å; Q328-S331 PolarHBondContact O-N 3.25Å; Q328-I332 VanDerWaalsContact O-CG1 3.32Å; Q328-I332 WeakPolarHBondContact O-CG1 3.42Å; Q328-I332 PolarHBondContact O-N 3.27Å |
| 329 | Q | 86.6 | Confident | 79.6 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176 | -63.6 | 179.2 | 10.2 | 0 | 0 | 111.1 | N321 L324 K325 E326 S331 I332 Q333 | N321-Q329 PolarHBondContact OD1-NE2 3.23Å; L324-Q329 HydrophobicContact CB-CG 3.91Å; L324-Q329 HydrophobicContact CD1-CG 4.33Å; L324-Q329 PolarHBondContact O-NE2 3.35Å; K325-Q329 PolarHBondContact O-N 3.49Å; K325-Q329 VanDerWaalsContact O-N 3.13Å; E326-Q329 PolarHBondContact O-N 3.03Å; Q329-S331 VanDerWaalsContact C-N 3.33Å; Q329-S331 PolarHBondContact O-N 2.94Å; Q329-I332 PolarHBondContact O-N 3.09Å; Q329-Q333 WeakPolarHBondContact O-CB 3.49Å; Q329-Q333 PolarHBondContact O-N 3.29Å |
| 330 | Q | 88.9 | Confident | 79.8 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.5 | -69.1 | 172.8 | 5.2 | 0 | 0 | 111.6 | E326 S327 Q328 Q333 A334 | E326-Q330 WeakPolarHBondContact O-CG 3.13Å; E326-Q330 PolarHBondContact O-N 2.9Å; S327-Q330 PolarHBondContact O-N 3.47Å; Q328-Q330 VanDerWaalsContact C-N 3.35Å; Q330-Q333 PolarHBondContact O-N 3.12Å; Q330-A334 WeakPolarHBondContact O-CB 3.37Å; Q330-A334 PolarHBondContact O-N 3.47Å |
| 331 | S | 91.3 | Very high | 79.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.1 | -80.4 | 0 | 0 | 0 | 0 | 113.2 | H290 E293 S327 Q328 Q329 A334 V335 | H290-S331 WeakPolarHBondContact ND1-CA 3.45Å; H290-S331 WeakPolarHBondContact ND1-CB 3.39Å; H290-S331 PolarHBondContact ND1-OG 2.89Å; E293-S331 PolarHBondContact OE2-OG 2.86Å; S327-S331 WeakPolarHBondContact O-CB 3.42Å; S327-S331 PolarHBondContact O-N 3.47Å; S327-S331 PolarHBondContact O-OG 3.38Å; Q328-S331 PolarHBondContact O-N 3.25Å; Q329-S331 VanDerWaalsContact C-N 3.33Å; Q329-S331 PolarHBondContact O-N 2.94Å; S331-A334 PolarHBondContact O-N 3.46Å; S331-V335 WeakPolarHBondContact O-CG2 3Å; S331-V335 PolarHBondContact O-N 2.95Å; S331-V335 VanDerWaalsContact O-N 3.1Å |
| 332 | I | 90.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.9 | -70.5 | 169.4 | 0 | 0 | 0 | 110.5 | L294 T303 L304 M307 L319 L324 Q328 Q329 A334 V335 F336 | L294-I332 HydrophobicContact CD1-CG1 3.93Å; L294-I332 HydrophobicContact CD2-CD1 4.31Å; L294-I332 HydrophobicContact CD2-CG1 3.85Å; T303-I332 HydrophobicContact CG2-CD1 4.22Å; L304-I332 HydrophobicContact CB-CG1 4.44Å; L304-I332 HydrophobicContact CD1-CG1 4.48Å; L304-I332 HydrophobicContact CD1-CG2 4.18Å; M307-I332 HydrophobicContact SD-CG2 3.72Å; L319-I332 HydrophobicContact CD2-CB 4.49Å; L319-I332 HydrophobicContact CD2-CD1 4.47Å; L319-I332 HydrophobicContact CD2-CG2 4.11Å; L324-I332 HydrophobicContact CD1-CD1 3.67Å; Q328-I332 VanDerWaalsContact O-CG1 3.32Å; Q328-I332 WeakPolarHBondContact O-CG1 3.42Å; Q328-I332 PolarHBondContact O-N 3.27Å; Q329-I332 PolarHBondContact O-N 3.09Å; I332-A334 PolarHBondContact O-N 3.24Å; I332-V335 PolarHBondContact O-N 3.4Å; I332-F336 HydrophobicContact CG2-CD2 3.78Å; I332-F336 HydrophobicContact CG2-CE2 3.52Å; I332-F336 WeakPolarHBondContact O-CD2 3.14Å; I332-F336 PolarHBondContact O-N 3.19Å; I332-F336 VanDerWaalsContact O-N 3.15Å |
| 333 | Q | 89.5 | Confident | 79 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 178.8 | -175.8 | 59.8 | 35.4 | 0 | 0 | 111.6 | Q329 Q330 V335 F336 E337 | Q329-Q333 WeakPolarHBondContact O-CB 3.49Å; Q329-Q333 PolarHBondContact O-N 3.29Å; Q330-Q333 PolarHBondContact O-N 3.12Å; Q333-V335 VanDerWaalsContact C-N 3.3Å; Q333-V335 PolarHBondContact O-N 2.87Å; Q333-F336 PolarHBondContact O-N 3.35Å; Q333-E337 WeakPolarHBondContact O-CG 3.32Å; Q333-E337 PolarHBondContact O-N 3.17Å |
| 334 | A | 89.9 | Confident | 78.1 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | H290 Q330 S331 I332 F336 E337 V338 | H290-A334 VanDerWaalsContact CE1-CB 3.42Å; H290-A334 WeakPolarHBondContact CE1-CB 3.44Å; H290-A334 WeakPolarHBondContact NE2-CB 3.42Å; Q330-A334 WeakPolarHBondContact O-CB 3.37Å; Q330-A334 PolarHBondContact O-N 3.47Å; S331-A334 PolarHBondContact O-N 3.46Å; I332-A334 PolarHBondContact O-N 3.24Å; A334-F336 VanDerWaalsContact C-N 3.33Å; A334-E337 PolarHBondContact O-N 3.31Å; A334-V338 PolarHBondContact O-N 2.98Å |
| 335 | V | 91.6 | Very high | 76.6 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 171.7 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L287 H290 L304 S331 I332 Q333 V338 | L287-V335 HydrophobicContact CD2-CG1 4.4Å; L287-V335 HydrophobicContact CD2-CG2 4.33Å; H290-V335 HydrophobicContact CB-CG2 3.91Å; L304-V335 HydrophobicContact CD1-CG1 4.24Å; S331-V335 WeakPolarHBondContact O-CG2 3Å; S331-V335 PolarHBondContact O-N 2.95Å; S331-V335 VanDerWaalsContact O-N 3.1Å; I332-V335 PolarHBondContact O-N 3.4Å; Q333-V335 VanDerWaalsContact C-N 3.3Å; Q333-V335 PolarHBondContact O-N 2.87Å; V335-V338 PolarHBondContact O-N 3.34Å |
| 336 | F | 87.7 | Confident | 75 | Confident | 5 Ų | 5 | 76 Ų | 76 | 2% | 0.022 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.8 | -34.5 | 177 | -75.7 | -61.7 | 0 | 0 | 0 | 113.6 | L304 M307 L308 M311 P317 I332 Q333 A334 V338 L339 E340 | L304-F336 HydrophobicContact CD1-CE2 3.99Å; L304-F336 HydrophobicContact CD1-CZ 4.01Å; M307-F336 HydrophobicContact CB-CE2 3.92Å; M307-F336 HydrophobicContact CB-CZ 3.51Å; M307-F336 HydrophobicContact CG-CE2 4.47Å; M307-F336 HydrophobicContact SD-CE2 3.72Å; M307-F336 HydrophobicContact SD-CZ 4.3Å; L308-F336 HydrophobicContact CD2-CE1 3.78Å; L308-F336 HydrophobicContact CD2-CZ 4.21Å; L308-F336 HydrophobicContact CG-CE1 4.47Å; L308-F336 HydrophobicContact CG-CZ 4.43Å; M311-F336 HydrophobicContact SD-CD1 3.76Å; M311-F336 HydrophobicContact SD-CE1 3.32Å; M311-F336 WeakPolarHBondContact SD-CE1 3.37Å; M311-F336 HydrophobicContact SD-CZ 4.31Å; P317-F336 HydrophobicContact CB-CE2 4.45Å; P317-F336 HydrophobicContact CB-CZ 4.37Å; I332-F336 HydrophobicContact CG2-CD2 3.78Å; I332-F336 HydrophobicContact CG2-CE2 3.52Å; I332-F336 WeakPolarHBondContact O-CD2 3.14Å; I332-F336 PolarHBondContact O-N 3.19Å; I332-F336 VanDerWaalsContact O-N 3.15Å; Q333-F336 PolarHBondContact O-N 3.35Å; A334-F336 VanDerWaalsContact C-N 3.33Å; F336-V338 PolarHBondContact O-N 3.12Å; F336-L339 HydrophobicContact CD1-CD1 3.72Å; F336-L339 HydrophobicContact CE1-CD1 3.98Å; F336-L339 CarbonylContact O-C 3.52Å; F336-L339 WeakPolarHBondContact O-CA 3.46Å; F336-L339 WeakPolarHBondContact O-CB 3.42Å; F336-L339 PolarHBondContact O-N 3.14Å; F336-E340 PolarHBondContact O-N 2.84Å |
| 337 | E | 86.7 | Confident | 73.4 | Confident | 120 Ų | 120 | 78 Ų | 78 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.8 | -32.8 | 173.6 | -73.1 | 173.5 | -172.5 | 0 | 0 | 112.3 | Q333 A334 L339 | Q333-E337 WeakPolarHBondContact O-CG 3.32Å; Q333-E337 PolarHBondContact O-N 3.17Å; A334-E337 PolarHBondContact O-N 3.31Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.24Å |
| 338 | V | 83.4 | Confident | 72.1 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.3 | -28.2 | 174 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | T283 L287 A334 V335 F336 | T283-V338 HydrophobicContact CG2-CB 4.46Å; T283-V338 HydrophobicContact CG2-CG1 3.44Å; T283-V338 VanDerWaalsContact CG2-CG1 3.44Å; T283-V338 HydrophobicContact CG2-CG2 4.12Å; L287-V338 HydrophobicContact CD1-CG1 3.99Å; L287-V338 HydrophobicContact CD2-CB 4.08Å; L287-V338 HydrophobicContact CD2-CG1 4.09Å; L287-V338 HydrophobicContact CD2-CG2 4.05Å; L287-V338 HydrophobicContact CG-CG1 4.21Å; L287-V338 HydrophobicContact CG-CG2 4.33Å; A334-V338 PolarHBondContact O-N 2.98Å; V335-V338 PolarHBondContact O-N 3.34Å; F336-V338 PolarHBondContact O-N 3.12Å |
| 339 | L | 79.1 | Confident | 71.1 | Confident | 21 Ų | 21 | 85.1 Ų | 85.1 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -82.2 | -30.9 | 179.3 | -67.6 | 171.7 | 0 | 0 | 0 | 112.6 | L308 F336 E337 Q341 F353 L356 | L308-L339 HydrophobicContact CD2-CD1 3.83Å; F336-L339 HydrophobicContact CD1-CD1 3.72Å; F336-L339 HydrophobicContact CE1-CD1 3.98Å; F336-L339 CarbonylContact O-C 3.52Å; F336-L339 WeakPolarHBondContact O-CA 3.46Å; F336-L339 WeakPolarHBondContact O-CB 3.42Å; F336-L339 PolarHBondContact O-N 3.14Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.24Å; L339-Q341 PolarHBondContact O-N 3.26Å; L339-Q341 VanDerWaalsContact O-N 3.14Å; L339-F353 HydrophobicContact CD1-CD2 4.04Å; L339-F353 HydrophobicContact CD2-CB 3.88Å; L339-F353 HydrophobicContact CD2-CD2 4.1Å; L339-F353 HydrophobicContact CD2-CG 4.47Å; L339-L356 HydrophobicContact CD1-CD1 4.46Å; L339-L356 HydrophobicContact CD2-CD1 3.5Å; L339-L356 HydrophobicContact CG-CD1 3.99Å |
| 340 | E | 72.3 | Confident | 70.9 | Confident | 122 Ų | 122 | 84.7 Ų | 84.7 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | trans | -82.9 | 78.8 | 179.1 | -68.4 | -174.4 | 170.5 | 0 | 0 | 111.3 | F336 | F336-E340 PolarHBondContact O-N 2.84Š| ||
| 341 | Q | 56.6 | Low | 70.8 | Confident | 147 Ų | 147 | 83 Ų | 83 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | trans | -84.1 | 128.1 | 166.9 | -66.2 | -160.6 | 7.3 | 0 | 0 | 110.8 | L339 G343 | L339-Q341 PolarHBondContact O-N 3.26Å; L339-Q341 VanDerWaalsContact O-N 3.14Å; Q341-G343 PolarHBondContact O-N 2.94Å; Q341-G343 VanDerWaalsContact O-N 3.07Å | ||
| 342 | P | 40.4 | Very low | 70.7 | Confident | 139 Ų | 139 | 84 Ų | 84 | 90% | 0.903 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 106.3 | -179.4 | 26.4 | -31.5 | 0 | 0 | 0 | 110.3 | ||
| 343 | G | 47.7 | Very low | 70.7 | Confident | 78 Ų | 78 | 84.5 Ų | 84.5 | 80% | 0.804 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.6 | 0.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q341 | Q341-G343 PolarHBondContact O-N 2.94Å; Q341-G343 VanDerWaalsContact O-N 3.07Å |
| 344 | A | 45.5 | Very low | 70.7 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | trans | -82 | 122.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 345 | E | 44.3 | Very low | 70.9 | Confident | 184 Ų | 184 | 81.7 Ų | 81.7 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | trans | -56.8 | 137.3 | 172 | -66.4 | 178.2 | 169 | 0 | 0 | 110.9 | Q347 | E345-Q347 PolarHBondContact O-N 2.85Š| ||
| 346 | E | 49.3 | Very low | 71 | Confident | 199 Ų | 199 | 81.7 Ų | 81.7 | 93% | 0.93 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 12.1 | -162.1 | -69.2 | -178.4 | 144.9 | 0 | 0 | 117.6 | ||
| 347 | Q | 49.3 | Very low | 71.2 | Confident | 183 Ų | 183 | 81.7 Ų | 81.7 | 86% | 0.855 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -11.4 | -165.3 | -66.5 | 178.3 | 23 | 0 | 0 | 116.6 | E345 | E345-Q347 PolarHBondContact O-N 2.85Š|
| 348 | T | 55.3 | Low | 71.6 | Confident | 126 Ų | 126 | 76 Ų | 76 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -124.5 | 120.7 | 174.7 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | S350 | T348-S350 PolarHBondContact O-N 3.4Š|
| 349 | Q | 67.3 | Low | 72.2 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | trans | -57.9 | 134.7 | 173.9 | -66.8 | -176.8 | -27.4 | 0 | 0 | 110.2 | C312 F353 | C312-Q349 VanDerWaalsContact CA-NE2 3.28Å; C312-Q349 PolarHBondContact SG-NE2 2.95Å; Q349-F353 HydrophobicContact CB-CD1 4.01Å; Q349-F353 HydrophobicContact CG-CD1 4.18Å; Q349-F353 HydrophobicContact CG-CE1 4.32Å | ||
| 350 | S | 82.4 | Confident | 72.9 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | trans | -65 | 144 | 179.7 | 75.2 | 0 | 0 | 0 | 0 | 110.4 | T348 V352 F353 T354 | T348-S350 PolarHBondContact O-N 3.4Å; S350-V352 PolarHBondContact O-N 2.92Å; S350-V352 VanDerWaalsContact O-N 3.13Å; S350-F353 WeakPolarHBondContact O-CA 3.39Å; S350-F353 VanDerWaalsContact O-CB 3.3Å; S350-F353 WeakPolarHBondContact O-CB 3.43Å; S350-F353 PolarHBondContact O-N 2.69Å; S350-F353 WeakPolarHBondContact OG-CB 3.48Å; S350-F353 PolarHBondContact OG-N 2.65Å; S350-T354 PolarHBondContact O-N 3.03Å; S350-T354 VanDerWaalsContact O-N 3.1Å; S350-T354 PolarHBondContact O-OG1 3.13Å | ||
| 351 | P | 87.1 | Confident | 73.9 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.1 | -31.5 | 175 | -27.8 | 35.3 | 0 | 0 | 0 | 113.2 | Q275 T354 A355 | Q275-P351 HydrophobicContact CG-CB 3.96Å; P351-T354 PolarHBondContact O-N 3.05Å; P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 2.78Å |
| 352 | V | 89.4 | Confident | 75.7 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | L279 S350 A355 L356 | L279-V352 HydrophobicContact CD1-CG1 4.22Å; L279-V352 HydrophobicContact CD2-CG1 4.06Å; L279-V352 HydrophobicContact CD2-CG2 3.87Å; S350-V352 PolarHBondContact O-N 2.92Å; S350-V352 VanDerWaalsContact O-N 3.13Å; V352-A355 PolarHBondContact O-N 3.02Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 WeakPolarHBondContact O-CB 3.49Å; V352-L356 PolarHBondContact O-N 3.04Å |
| 353 | F | 90.3 | Very high | 78.3 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 173.4 | 173.5 | -88 | 0 | 0 | 0 | 111.2 | L308 M311 C312 L339 Q349 S350 A355 L356 H357 | L308-F353 HydrophobicContact CB-CZ 4.48Å; L308-F353 HydrophobicContact CD2-CD2 4.18Å; L308-F353 HydrophobicContact CD2-CE2 3.62Å; L308-F353 HydrophobicContact CD2-CZ 4.31Å; M311-F353 HydrophobicContact CB-CE2 3.74Å; M311-F353 HydrophobicContact CB-CZ 3.77Å; M311-F353 HydrophobicContact CE-CD2 4.23Å; M311-F353 HydrophobicContact CE-CE2 3.94Å; M311-F353 HydrophobicContact CG-CE2 4.48Å; M311-F353 HydrophobicContact SD-CE2 3.98Å; C312-F353 VanDerWaalsContact SG-CE1 3.58Å; L339-F353 HydrophobicContact CD1-CD2 4.04Å; L339-F353 HydrophobicContact CD2-CB 3.88Å; L339-F353 HydrophobicContact CD2-CD2 4.1Å; L339-F353 HydrophobicContact CD2-CG 4.47Å; Q349-F353 HydrophobicContact CB-CD1 4.01Å; Q349-F353 HydrophobicContact CG-CD1 4.18Å; Q349-F353 HydrophobicContact CG-CE1 4.32Å; S350-F353 WeakPolarHBondContact O-CA 3.39Å; S350-F353 VanDerWaalsContact O-CB 3.3Å; S350-F353 WeakPolarHBondContact O-CB 3.43Å; S350-F353 PolarHBondContact O-N 2.69Å; S350-F353 WeakPolarHBondContact OG-CB 3.48Å; S350-F353 PolarHBondContact OG-N 2.65Å; F353-A355 VanDerWaalsContact C-N 3.31Å; F353-A355 PolarHBondContact O-N 2.92Å; F353-L356 PolarHBondContact O-N 3.01Å; F353-H357 WeakPolarHBondContact O-CB 3.46Å; F353-H357 PolarHBondContact O-N 3.21Å |
| 354 | T | 90.4 | Very high | 80.5 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 179.2 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | W42 H272 S350 P351 H357 L358 | W42-T354 HydrophobicContact CH2-CG2 3.76Å; W42-T354 HydrophobicContact CZ2-CG2 4.11Å; H272-T354 WeakPolarHBondContact NE2-CG2 3.44Å; S350-T354 PolarHBondContact O-N 3.03Å; S350-T354 VanDerWaalsContact O-N 3.1Å; S350-T354 PolarHBondContact O-OG1 3.13Å; P351-T354 PolarHBondContact O-N 3.05Å; T354-H357 PolarHBondContact O-N 3.44Å; T354-L358 PolarHBondContact O-N 2.88Å |
| 355 | A | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H272 Q275 L276 P351 V352 F353 L358 V359 | H272-A355 HydrophobicContact CB-CB 4.15Å; H272-A355 WeakPolarHBondContact O-CB 3.48Å; Q275-A355 HydrophobicContact CB-CB 4.06Å; L276-A355 HydrophobicContact CD2-CB 3.83Å; L276-A355 HydrophobicContact CG-CB 3.93Å; P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 2.78Å; V352-A355 PolarHBondContact O-N 3.02Å; F353-A355 VanDerWaalsContact C-N 3.31Å; F353-A355 PolarHBondContact O-N 2.92Å; A355-L358 VanDerWaalsContact O-CB 3.27Å; A355-L358 WeakPolarHBondContact O-CB 3.39Å; A355-L358 PolarHBondContact O-N 3.49Å; A355-V359 WeakPolarHBondContact O-CG2 3.31Å; A355-V359 PolarHBondContact O-N 3.49Å; A355-V359 VanDerWaalsContact O-N 3.16Å |
| 356 | L | 93.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 174 | -81.6 | 172.3 | 0 | 0 | 0 | 112.1 | L276 L287 I291 L339 V352 F353 L358 V359 V360 | L276-L356 HydrophobicContact CD2-CD2 4.26Å; L276-L356 HydrophobicContact CD2-CG 4.32Å; L287-L356 HydrophobicContact CD1-CD1 4.32Å; L287-L356 HydrophobicContact CD1-CD2 4.19Å; L287-L356 HydrophobicContact CD2-CD1 4.1Å; L287-L356 HydrophobicContact CD2-CD2 4.16Å; I291-L356 HydrophobicContact CD1-CD2 4.1Å; L339-L356 HydrophobicContact CD1-CD1 4.46Å; L339-L356 HydrophobicContact CD2-CD1 3.5Å; L339-L356 HydrophobicContact CG-CD1 3.99Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 WeakPolarHBondContact O-CB 3.49Å; V352-L356 PolarHBondContact O-N 3.04Å; F353-L356 PolarHBondContact O-N 3.01Å; L356-L358 PolarHBondContact O-N 3.47Å; L356-V359 PolarHBondContact O-N 3.4Å; L356-V359 VanDerWaalsContact O-N 3.14Å; L356-V360 WeakPolarHBondContact O-CG2 3.45Å; L356-V360 PolarHBondContact O-N 2.96Å |
| 357 | H | 92.9 | Very high | 86.6 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -40.1 | 171.4 | -178.9 | -85.8 | 0 | 0 | 0 | 111 | S41 W42 Q305 D309 F353 T354 S361 | S41-H357 VanDerWaalsContact CB-CE1 3.41Å; S41-H357 WeakPolarHBondContact CB-CE1 3.31Å; W42-H357 AromaticContact CD1-CE1 3.91Å; W42-H357 AromaticContact CD1-ND1 3.99Å; W42-H357 AromaticContact CE2-ND1 3.61Å; W42-H357 AromaticContact CZ2-ND1 3.81Å; W42-H357 AromaticContact NE1-CE1 3.36Å; W42-H357 PolarHBondContact NE1-CE1 2.9Å; W42-H357 AromaticContact NE1-ND1 3.01Å; W42-H357 PolarHBondContact NE1-ND1 3.02Å; Q305-H357 PolarHBondContact NE2-NE2 3.2Å; D309-H357 IonicContact OD1-NE2 3.35Å; D309-H357 PolarHBondContact OD1-NE2 3.28Å; D309-H357 VanDerWaalsContact OD1-NE2 3.15Å; F353-H357 WeakPolarHBondContact O-CB 3.46Å; F353-H357 PolarHBondContact O-N 3.21Å; T354-H357 PolarHBondContact O-N 3.44Å; H357-S361 PolarHBondContact CE1-OG 2.97Å; H357-S361 WeakPolarHBondContact O-CB 3.5Å; H357-S361 PolarHBondContact O-N 3.05Å; H357-S361 PolarHBondContact O-OG 3.04Å |
| 358 | L | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 172.9 | -178 | 76.7 | 0 | 0 | 0 | 112.3 | W42 W44 L269 H272 F273 T354 A355 L356 A362 I449 | W42-L358 HydrophobicContact CD2-CD1 3.75Å; W42-L358 HydrophobicContact CE3-CD1 3.89Å; W42-L358 HydrophobicContact CG-CD1 4.4Å; W42-L358 HydrophobicContact CH2-CB 4.19Å; W42-L358 HydrophobicContact CH2-CD1 3.87Å; W42-L358 HydrophobicContact CZ2-CB 3.63Å; W42-L358 HydrophobicContact CZ2-CD1 3.73Å; W42-L358 HydrophobicContact CZ2-CG 4.33Å; W42-L358 HydrophobicContact CZ3-CD1 3.95Å; W44-L358 HydrophobicContact CH2-CD1 3.29Å; W44-L358 HydrophobicContact CZ2-CD1 3.29Å; W44-L358 HydrophobicContact CZ2-CG 4.5Å; L269-L358 HydrophobicContact CB-CD2 4.46Å; L269-L358 HydrophobicContact CD1-CD1 4.23Å; L269-L358 HydrophobicContact CD2-CD1 3.98Å; H272-L358 HydrophobicContact CB-CD2 3.58Å; F273-L358 HydrophobicContact CD1-CD2 4.42Å; F273-L358 HydrophobicContact CE1-CD2 3.92Å; F273-L358 HydrophobicContact CZ-CD2 4.41Å; T354-L358 PolarHBondContact O-N 2.88Å; A355-L358 VanDerWaalsContact O-CB 3.27Å; A355-L358 WeakPolarHBondContact O-CB 3.39Å; A355-L358 PolarHBondContact O-N 3.49Å; L356-L358 PolarHBondContact O-N 3.47Å; L358-A362 WeakPolarHBondContact O-CB 3.41Å; L358-A362 PolarHBondContact O-N 3.32Å; L358-I449 HydrophobicContact CD1-CG2 4.3Å; L358-I449 HydrophobicContact CD2-CG2 4.44Å; L358-I449 HydrophobicContact CG-CG2 4.16Å |
| 359 | V | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -54.1 | -178.6 | -173 | 0 | 0 | 0 | 0 | 110.7 | L276 I291 A355 L356 S361 A362 L363 | L276-V359 HydrophobicContact CD1-CG2 3.5Å; L276-V359 VanDerWaalsContact CD1-CG2 3.5Å; L276-V359 HydrophobicContact CD2-CG2 4.37Å; I291-V359 HydrophobicContact CD1-CG1 4.49Å; A355-V359 WeakPolarHBondContact O-CG2 3.31Å; A355-V359 PolarHBondContact O-N 3.49Å; A355-V359 VanDerWaalsContact O-N 3.16Å; L356-V359 PolarHBondContact O-N 3.4Å; L356-V359 VanDerWaalsContact O-N 3.14Å; V359-S361 VanDerWaalsContact C-N 3.3Å; V359-S361 PolarHBondContact O-N 2.66Å; V359-A362 PolarHBondContact O-N 3.45Å; V359-A362 VanDerWaalsContact O-N 3.14Å; V359-L363 HydrophobicContact CG1-CD1 4.03Å; V359-L363 HydrophobicContact CG1-CG 4.48Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 2.87Å |
| 360 | V | 95 | Very high | 90.1 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | -175.3 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | I301 L304 Q305 L308 L356 A362 L363 E364 | I301-V360 HydrophobicContact CG2-CG1 4.36Å; L304-V360 HydrophobicContact CB-CG1 4.29Å; L304-V360 HydrophobicContact CD2-CG1 4.11Å; L304-V360 HydrophobicContact CD2-CG2 3.61Å; L304-V360 HydrophobicContact CG-CG1 4.01Å; L304-V360 HydrophobicContact CG-CG2 4.13Å; Q305-V360 HydrophobicContact CB-CG1 3.81Å; L308-V360 HydrophobicContact CD1-CB 3.81Å; L308-V360 HydrophobicContact CD1-CG1 4.05Å; L308-V360 HydrophobicContact CD1-CG2 3.76Å; L356-V360 WeakPolarHBondContact O-CG2 3.45Å; L356-V360 PolarHBondContact O-N 2.96Å; V360-A362 VanDerWaalsContact C-N 3.35Å; V360-A362 PolarHBondContact O-N 3.36Å; V360-L363 PolarHBondContact O-N 3.34Å; V360-E364 WeakPolarHBondContact O-CB 3.43Å; V360-E364 PolarHBondContact O-N 3.19Å |
| 361 | S | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 174.9 | -71.6 | 0 | 0 | 0 | 0 | 113.3 | W42 Q45 Q305 H357 V359 E365 | W42-S361 VanDerWaalsContact CD1-CB 3.43Å; W42-S361 PolarHBondContact NE1-OG 3.18Å; Q45-S361 PolarHBondContact NE2-OG 3.36Å; Q305-S361 PolarHBondContact NE2-OG 3.4Å; Q305-S361 VanDerWaalsContact OE1-CA 3.27Å; Q305-S361 VanDerWaalsContact OE1-N 3.08Å; Q305-S361 PolarHBondContact OE1-OG 3.16Å; H357-S361 PolarHBondContact CE1-OG 2.97Å; H357-S361 WeakPolarHBondContact O-CB 3.5Å; H357-S361 PolarHBondContact O-N 3.05Å; H357-S361 PolarHBondContact O-OG 3.04Å; V359-S361 VanDerWaalsContact C-N 3.3Å; V359-S361 PolarHBondContact O-N 2.66Å; S361-E365 WeakPolarHBondContact O-CG 3.22Å; S361-E365 PolarHBondContact O-N 2.91Å |
| 362 | A | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L358 V359 V360 E365 L366 I446 I449 A450 | L358-A362 WeakPolarHBondContact O-CB 3.41Å; L358-A362 PolarHBondContact O-N 3.32Å; V359-A362 PolarHBondContact O-N 3.45Å; V359-A362 VanDerWaalsContact O-N 3.14Å; V360-A362 VanDerWaalsContact C-N 3.35Å; V360-A362 PolarHBondContact O-N 3.36Å; A362-E365 PolarHBondContact O-N 3Å; A362-L366 PolarHBondContact O-N 3.12Å; A362-I446 HydrophobicContact CB-CG2 4.47Å; A362-I446 WeakPolarHBondContact O-CG2 3.43Å; A362-I449 HydrophobicContact CB-CB 4.2Å; A362-I449 HydrophobicContact CB-CG2 3.72Å; A362-A450 HydrophobicContact CB-CB 4.19Å |
| 363 | L | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 176.9 | -67.4 | 173.7 | 0 | 0 | 0 | 112.1 | I291 M295 I301 V359 V360 E365 L366 L371 L374 A450 L454 | I291-L363 HydrophobicContact CG2-CD1 3.48Å; I291-L363 VanDerWaalsContact CG2-CD1 3.48Å; M295-L363 HydrophobicContact CE-CD2 3.9Å; M295-L363 HydrophobicContact CG-CD1 4.05Å; M295-L363 HydrophobicContact CG-CD2 4.43Å; M295-L363 HydrophobicContact SD-CD1 3.93Å; M295-L363 HydrophobicContact SD-CD2 4Å; I301-L363 HydrophobicContact CD1-CD1 4.32Å; I301-L363 HydrophobicContact CG2-CB 4.02Å; V359-L363 HydrophobicContact CG1-CD1 4.03Å; V359-L363 HydrophobicContact CG1-CG 4.48Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 2.87Å; V360-L363 PolarHBondContact O-N 3.34Å; L363-E365 PolarHBondContact O-N 3.35Å; L363-L366 HydrophobicContact CD2-CD1 4.17Å; L363-L366 WeakPolarHBondContact O-CB 3.35Å; L363-L366 PolarHBondContact O-N 2.89Å; L363-L366 VanDerWaalsContact O-N 3.13Å; L363-L371 HydrophobicContact CB-CD2 3.94Å; L363-L371 HydrophobicContact CD2-CD2 3.9Å; L363-L371 HydrophobicContact CG-CD2 4.49Å; L363-L371 WeakPolarHBondContact O-CD2 3.04Å; L363-L374 HydrophobicContact CD2-CD2 4.28Å; L363-A450 HydrophobicContact CD2-CB 4.08Å; L363-L454 HydrophobicContact CD2-CD1 4.29Å |
| 364 | E | 92.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 14.6 Ų | 14.6 | 23% | 0.234 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.6 | -28 | -179.9 | -171.8 | -97.9 | 173.9 | 0 | 0 | 113.3 | I301 Q305 V360 | I301-E364 HydrophobicContact CG2-CB 3.93Å; Q305-E364 HydrophobicContact CB-CB 4.36Å; Q305-E364 HydrophobicContact CB-CG 4.24Å; Q305-E364 HydrophobicContact CG-CB 4.39Å; Q305-E364 HydrophobicContact CG-CG 4.26Å; V360-E364 WeakPolarHBondContact O-CB 3.43Å; V360-E364 PolarHBondContact O-N 3.19Å |
| 365 | E | 90.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 6% | 0.056 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10.4 | 177.2 | -72.1 | -69.8 | 171.3 | 0 | 0 | 114 | Q45 K46 S361 A362 L363 Y443 I446 | Q45-E365 WeakPolarHBondContact CA-OE1 3.46Å; Q45-E365 HydrophobicContact CG-CG 4.11Å; K46-E365 WeakPolarHBondContact CB-OE1 3.3Å; K46-E365 WeakPolarHBondContact CD-OE2 3.36Å; K46-E365 WeakPolarHBondContact CG-OE2 3.38Å; K46-E365 PolarHBondContact N-OE1 2.73Å; S361-E365 WeakPolarHBondContact O-CG 3.22Å; S361-E365 PolarHBondContact O-N 2.91Å; A362-E365 PolarHBondContact O-N 3Å; L363-E365 PolarHBondContact O-N 3.35Å; E365-Y443 WeakPolarHBondContact O-CE1 3.22Å; E365-I446 HydrophobicContact CB-CD1 4.02Å; E365-I446 HydrophobicContact CB-CG2 3.99Å |
| 366 | L | 90.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -67.8 | 154.8 | 174 | -72.4 | 175.9 | 0 | 0 | 0 | 110.8 | A362 L363 D368 L371 L374 I446 L447 A450 | A362-L366 PolarHBondContact O-N 3.12Å; L363-L366 HydrophobicContact CD2-CD1 4.17Å; L363-L366 WeakPolarHBondContact O-CB 3.35Å; L363-L366 PolarHBondContact O-N 2.89Å; L363-L366 VanDerWaalsContact O-N 3.13Å; L366-D368 PolarHBondContact O-N 3.1Å; L366-L371 HydrophobicContact CB-CD2 4.43Å; L366-L371 HydrophobicContact CB-CG 4.39Å; L366-L371 HydrophobicContact CD1-CD2 4.23Å; L366-L374 HydrophobicContact CD1-CD2 3.9Å; L366-I446 HydrophobicContact CD2-CG2 3.84Å; L366-I446 HydrophobicContact CG-CG2 4.14Å; L366-L447 HydrophobicContact CD2-CB 4.22Å; L366-L447 HydrophobicContact CD2-CD1 4.31Å; L366-A450 HydrophobicContact CD1-CB 3.95Å |
| 367 | P | 85.4 | Confident | 90 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | trans | -55.8 | 137.4 | 170.8 | -23.1 | 34.1 | 0 | 0 | 0 | 111.7 | D369 C370 Y443 | P367-D369 WeakPolarHBondContact CB-OD1 3.24Å; P367-D369 PolarHBondContact O-N 2.78Å; P367-D369 VanDerWaalsContact O-N 3.13Å; P367-C370 HydrophobicContact CB-CB 4.37Å; P367-C370 VanDerWaalsContact O-CB 3.29Å; P367-C370 WeakPolarHBondContact O-CB 3.47Å; P367-C370 PolarHBondContact O-N 3.39Å; P367-Y443 HydrophobicContact CG-CD1 4.27Å; P367-Y443 HydrophobicContact CG-CE1 4.09Å | ||
| 368 | D | 81.1 | Confident | 89.8 | Confident | 65 Ų | 65 | 17.2 Ų | 17.2 | 35% | 0.348 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.3 | -174 | -58.9 | -12.6 | 0 | 0 | 0 | 112.2 | K7 P298 L366 P372 | K7-D368 VanDerWaalsContact NZ-CG 3.31Å; K7-D368 IonicContact NZ-OD1 3.06Å; K7-D368 PolarHBondContact NZ-OD1 2.95Å; K7-D368 IonicContact NZ-OD2 3.37Å; K7-D368 PolarHBondContact NZ-OD2 2.96Å; P298-D368 HydrophobicContact CB-CB 4.21Å; P298-D368 HydrophobicContact CG-CB 3.99Å; P298-D368 VanDerWaalsContact CG-O 3.29Å; P298-D368 WeakPolarHBondContact CG-O 3.49Å; L366-D368 PolarHBondContact O-N 3.1Å; D368-P372 VanDerWaalsContact O-CD 3.25Å; D368-P372 WeakPolarHBondContact O-CD 3.42Å |
| 369 | D | 79.2 | Confident | 89.5 | Confident | 60 Ų | 60 | 20.2 Ų | 20.2 | 32% | 0.321 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -24.7 | 175.4 | 59.3 | -44.4 | 0 | 0 | 0 | 113.6 | P367 S420 | P367-D369 WeakPolarHBondContact CB-OD1 3.24Å; P367-D369 PolarHBondContact O-N 2.78Å; P367-D369 VanDerWaalsContact O-N 3.13Å; D369-S420 PolarHBondContact OD2-OG 3.33Å |
| 370 | C | 86.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76 | -34.9 | 179 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | P367 V373 L374 S420 | P367-C370 HydrophobicContact CB-CB 4.37Å; P367-C370 VanDerWaalsContact O-CB 3.29Å; P367-C370 WeakPolarHBondContact O-CB 3.47Å; P367-C370 PolarHBondContact O-N 3.39Å; C370-V373 PolarHBondContact O-N 3.03Å; C370-L374 WeakPolarHBondContact O-CB 3.23Å; C370-L374 PolarHBondContact O-N 3.41Å; C370-S420 WeakPolarHBondContact SG-CB 3.25Å |
| 371 | L | 88.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | -171.1 | -80.6 | 173.6 | 0 | 0 | 0 | 113.1 | M295 P298 L363 L366 V373 L374 S375 | M295-L371 HydrophobicContact CE-CD2 4.37Å; M295-L371 HydrophobicContact CG-CD2 4.22Å; M295-L371 CarbonylContact O-C 3.42Å; M295-L371 VanDerWaalsContact O-C 3.27Å; P298-L371 HydrophobicContact CB-CD1 4.04Å; P298-L371 HydrophobicContact CG-CB 4.47Å; P298-L371 HydrophobicContact CG-CD1 4.26Å; L363-L371 HydrophobicContact CB-CD2 3.94Å; L363-L371 HydrophobicContact CD2-CD2 3.9Å; L363-L371 HydrophobicContact CG-CD2 4.49Å; L363-L371 WeakPolarHBondContact O-CD2 3.04Å; L366-L371 HydrophobicContact CB-CD2 4.43Å; L366-L371 HydrophobicContact CB-CG 4.39Å; L366-L371 HydrophobicContact CD1-CD2 4.23Å; L371-V373 VanDerWaalsContact C-N 3.34Å; L371-V373 PolarHBondContact O-N 3.34Å; L371-L374 PolarHBondContact O-N 3.3Å; L371-S375 PolarHBondContact O-N 3.12Å |
| 372 | P | 88.5 | Confident | 88.7 | Confident | 45 Ų | 45 | 26.5 Ų | 26.5 | 29% | 0.292 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.3 | -23.1 | 34.5 | 0 | 0 | 0 | 112.4 | D368 S375 V376 | D368-P372 VanDerWaalsContact O-CD 3.25Å; D368-P372 WeakPolarHBondContact O-CD 3.42Å; P372-S375 WeakPolarHBondContact O-CB 3.34Å; P372-S375 PolarHBondContact O-N 3.36Å; P372-S375 PolarHBondContact O-OG 2.97Å; P372-V376 PolarHBondContact O-N 3.46Å |
| 373 | V | 88.7 | Confident | 88.6 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 179.5 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | M86 C370 L371 S375 V376 C377 R413 V417 | M86-V373 HydrophobicContact CE-CG2 4.35Å; M86-V373 HydrophobicContact SD-CG2 4.24Å; C370-V373 PolarHBondContact O-N 3.03Å; L371-V373 VanDerWaalsContact C-N 3.34Å; L371-V373 PolarHBondContact O-N 3.34Å; V373-S375 VanDerWaalsContact C-N 3.28Å; V373-S375 PolarHBondContact O-N 2.83Å; V373-V376 PolarHBondContact O-N 2.85Å; V373-C377 PolarHBondContact O-SG 2.86Å; V373-R413 HydrophobicContact CG1-CB 3.77Å; V373-R413 HydrophobicContact CG1-CG 4.08Å; V373-V417 HydrophobicContact CB-CG2 3.88Å; V373-V417 HydrophobicContact CG1-CG2 3.66Å |
| 374 | L | 91.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | 175.5 | -175.5 | 62.2 | 0 | 0 | 0 | 111.4 | M295 L363 L366 C370 L371 V376 C377 C378 L386 V417 L454 | M295-L374 HydrophobicContact CE-CB 3.84Å; M295-L374 HydrophobicContact CE-CD2 3.76Å; M295-L374 HydrophobicContact CE-CG 3.66Å; L363-L374 HydrophobicContact CD2-CD2 4.28Å; L366-L374 HydrophobicContact CD1-CD2 3.9Å; C370-L374 WeakPolarHBondContact O-CB 3.23Å; C370-L374 PolarHBondContact O-N 3.41Å; L371-L374 PolarHBondContact O-N 3.3Å; L374-V376 VanDerWaalsContact C-N 3.26Å; L374-V376 PolarHBondContact O-N 2.89Å; L374-C377 WeakPolarHBondContact O-CA 3.44Å; L374-C377 WeakPolarHBondContact O-CB 3.49Å; L374-C377 PolarHBondContact O-N 3.11Å; L374-C378 PolarHBondContact O-N 2.91Å; L374-C378 PolarHBondContact O-SG 3.45Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; L374-L386 HydrophobicContact CD1-CD1 4.28Å; L374-V417 HydrophobicContact CB-CG2 4.39Å; L374-L454 HydrophobicContact CD2-CD1 4.06Å; L374-L454 HydrophobicContact CG-CD1 4.33Å |
| 375 | S | 91 | Very high | 88.2 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -36.5 | 178 | 82.7 | 0 | 0 | 0 | 0 | 112.5 | T292 L371 P372 V373 C377 C378 | T292-S375 WeakPolarHBondContact CG2-O 3.39Å; L371-S375 PolarHBondContact O-N 3.12Å; P372-S375 WeakPolarHBondContact O-CB 3.34Å; P372-S375 PolarHBondContact O-N 3.36Å; P372-S375 PolarHBondContact O-OG 2.97Å; V373-S375 VanDerWaalsContact C-N 3.28Å; V373-S375 PolarHBondContact O-N 2.83Å; S375-C377 PolarHBondContact O-N 3.34Å; S375-C378 WeakPolarHBondContact O-CB 3.24Å; S375-C378 PolarHBondContact O-N 3.47Å |
| 376 | V | 88.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 30.1 Ų | 30.1 | 44% | 0.436 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.3 | -25.7 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | P372 V373 L374 C378 | P372-V376 PolarHBondContact O-N 3.46Å; V373-V376 PolarHBondContact O-N 2.85Å; L374-V376 VanDerWaalsContact C-N 3.26Å; L374-V376 PolarHBondContact O-N 2.89Å; V376-C378 VanDerWaalsContact C-N 3.3Å; V376-C378 PolarHBondContact O-N 3.27Å |
| 377 | C | 87.7 | Confident | 88.2 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.8 | 178.7 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | V373 L374 S375 N379 T382 L386 | V373-C377 PolarHBondContact O-SG 2.86Å; L374-C377 WeakPolarHBondContact O-CA 3.44Å; L374-C377 WeakPolarHBondContact O-CB 3.49Å; L374-C377 PolarHBondContact O-N 3.11Å; S375-C377 PolarHBondContact O-N 3.34Å; C377-N379 PolarHBondContact O-N 3.23Å; C377-T382 HydrophobicContact CB-CG2 3.97Å; C377-T382 WeakPolarHBondContact O-CB 3.33Å; C377-L386 HydrophobicContact CB-CD1 4.13Å |
| 378 | C | 88.6 | Confident | 88.4 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 9% | 0.088 | 20% | 0.196 | C | C | . | . | trans | -76.5 | 19.9 | -174.4 | -73 | 0 | 0 | 0 | 0 | 115.4 | L288 T292 L374 S375 V376 L383 | L288-C378 HydrophobicContact CD1-CB 4.5Å; T292-C378 HydrophobicContact CG2-CB 3.73Å; T292-C378 WeakPolarHBondContact OG1-CB 3.19Å; L374-C378 PolarHBondContact O-N 2.91Å; L374-C378 PolarHBondContact O-SG 3.45Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; S375-C378 WeakPolarHBondContact O-CB 3.24Å; S375-C378 PolarHBondContact O-N 3.47Å; V376-C378 VanDerWaalsContact C-N 3.3Å; V376-C378 PolarHBondContact O-N 3.27Å; C378-L383 HydrophobicContact CB-CD1 4.31Å; C378-L383 WeakPolarHBondContact O-CD1 3.3Å | ||
| 379 | N | 88.6 | Confident | 88.7 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -78.9 | 151.8 | 170.5 | 77 | 74.1 | 0 | 0 | 0 | 110.5 | C377 A381 T382 L383 | C377-N379 PolarHBondContact O-N 3.23Å; N379-A381 VanDerWaalsContact C-N 3.34Å; N379-A381 PolarHBondContact O-N 3.13Å; N379-A381 PolarHBondContact OD1-N 3.39Å; N379-T382 WeakPolarHBondContact ND2-CB 3.3Å; N379-T382 PolarHBondContact ND2-OG1 3.03Å; N379-T382 PolarHBondContact O-N 3.04Å; N379-T382 PolarHBondContact OD1-N 3.38Å; N379-T382 PolarHBondContact OD1-OG1 3.01Å; N379-L383 WeakPolarHBondContact O-CB 3.35Å; N379-L383 WeakPolarHBondContact O-CG 3.35Å; N379-L383 PolarHBondContact O-N 3.37Å |
| 380 | P | 87.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 28.2 Ų | 28.2 | 41% | 0.409 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.3 | -38.9 | -172.5 | -27.8 | 35.5 | 0 | 0 | 0 | 115 | Q384 A458 | P380-Q384 WeakPolarHBondContact O-CB 3.36Å; P380-Q384 PolarHBondContact O-N 2.94Å; P380-A458 HydrophobicContact CB-CB 4.45Å |
| 381 | A | 88 | Confident | 89 | Confident | 66 Ų | 66 | 30.4 Ų | 30.4 | 55% | 0.545 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.8 | -45.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N379 Q384 A385 | N379-A381 VanDerWaalsContact C-N 3.34Å; N379-A381 PolarHBondContact O-N 3.13Å; N379-A381 PolarHBondContact OD1-N 3.39Å; A381-Q384 PolarHBondContact O-N 3.3Å; A381-A385 PolarHBondContact O-N 2.91Å; A381-A385 VanDerWaalsContact O-N 3.07Å |
| 382 | T | 90.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | C377 N379 Q384 A385 L386 L406 D410 | C377-T382 HydrophobicContact CB-CG2 3.97Å; C377-T382 WeakPolarHBondContact O-CB 3.33Å; N379-T382 WeakPolarHBondContact ND2-CB 3.3Å; N379-T382 PolarHBondContact ND2-OG1 3.03Å; N379-T382 PolarHBondContact O-N 3.04Å; N379-T382 PolarHBondContact OD1-N 3.38Å; N379-T382 PolarHBondContact OD1-OG1 3.01Å; T382-Q384 VanDerWaalsContact C-N 3.29Å; T382-Q384 PolarHBondContact O-N 3.03Å; T382-A385 PolarHBondContact O-N 2.84Å; T382-A385 VanDerWaalsContact O-N 3.13Å; T382-L386 HydrophobicContact CG2-CD1 4.32Å; T382-L386 HydrophobicContact CG2-CG 4.37Å; T382-L386 WeakPolarHBondContact O-CB 3.38Å; T382-L386 VanDerWaalsContact O-CG 3.26Å; T382-L386 WeakPolarHBondContact O-CG 3.4Å; T382-L386 PolarHBondContact O-N 2.8Å; T382-L406 HydrophobicContact CG2-CD2 3.97Å; T382-D410 HydrophobicContact CG2-CB 4.19Å; T382-D410 PolarHBondContact OG1-OD2 3.25Å |
| 383 | L | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 175.1 | -75.5 | 174.3 | 0 | 0 | 0 | 112.8 | L288 C378 N379 L386 E387 L454 A455 A458 | L288-L383 HydrophobicContact CD1-CD1 4.14Å; L288-L383 HydrophobicContact CD2-CD1 4.24Å; C378-L383 HydrophobicContact CB-CD1 4.31Å; C378-L383 WeakPolarHBondContact O-CD1 3.3Å; N379-L383 WeakPolarHBondContact O-CB 3.35Å; N379-L383 WeakPolarHBondContact O-CG 3.35Å; N379-L383 PolarHBondContact O-N 3.37Å; L383-L386 HydrophobicContact CD2-CD1 4.36Å; L383-L386 PolarHBondContact O-N 3.13Å; L383-E387 WeakPolarHBondContact O-CB 3.36Å; L383-E387 PolarHBondContact O-N 2.85Å; L383-L454 HydrophobicContact CD1-CB 4.27Å; L383-L454 HydrophobicContact CD2-CB 3.82Å; L383-A455 HydrophobicContact CB-CB 4.47Å; L383-A458 HydrophobicContact CB-CB 4.41Å; L383-A458 HydrophobicContact CD1-CB 3.67Å |
| 384 | Q | 89.4 | Confident | 87.3 | Confident | 129 Ų | 129 | 30.5 Ų | 30.5 | 60% | 0.603 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.5 | -42.3 | 174.7 | -172.6 | 177.4 | 25.4 | 0 | 0 | 111.8 | P380 A381 T382 E387 L388 | P380-Q384 WeakPolarHBondContact O-CB 3.36Å; P380-Q384 PolarHBondContact O-N 2.94Å; A381-Q384 PolarHBondContact O-N 3.3Å; T382-Q384 VanDerWaalsContact C-N 3.29Å; T382-Q384 PolarHBondContact O-N 3.03Å; Q384-E387 PolarHBondContact O-N 3.4Å; Q384-L388 WeakPolarHBondContact O-CG 3.34Å; Q384-L388 PolarHBondContact O-N 3.39Å; Q384-L388 VanDerWaalsContact O-N 3.12Å |
| 385 | A | 90.5 | Very high | 86.2 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A381 T382 L388 L389 A405 L406 | A381-A385 PolarHBondContact O-N 2.91Å; A381-A385 VanDerWaalsContact O-N 3.07Å; T382-A385 PolarHBondContact O-N 2.84Å; T382-A385 VanDerWaalsContact O-N 3.13Å; A385-L388 PolarHBondContact O-N 3.36Å; A385-L389 WeakPolarHBondContact O-CG 3.48Å; A385-L389 PolarHBondContact O-N 3.09Å; A385-A405 HydrophobicContact CB-CB 4.49Å; A385-L406 HydrophobicContact CB-CD2 3.66Å; A385-L406 HydrophobicContact CB-CG 4.04Å |
| 386 | L | 91.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.3 | -68.7 | 179.9 | 0 | 0 | 0 | 112.3 | L374 C377 T382 L383 L388 L389 V390 T414 F418 I451 | L374-L386 HydrophobicContact CD1-CD1 4.28Å; C377-L386 HydrophobicContact CB-CD1 4.13Å; T382-L386 HydrophobicContact CG2-CD1 4.32Å; T382-L386 HydrophobicContact CG2-CG 4.37Å; T382-L386 WeakPolarHBondContact O-CB 3.38Å; T382-L386 VanDerWaalsContact O-CG 3.26Å; T382-L386 WeakPolarHBondContact O-CG 3.4Å; T382-L386 PolarHBondContact O-N 2.8Å; L383-L386 HydrophobicContact CD2-CD1 4.36Å; L383-L386 PolarHBondContact O-N 3.13Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 3.48Å; L386-L389 HydrophobicContact CD2-CD1 4.26Å; L386-L389 WeakPolarHBondContact O-CB 3.42Å; L386-L389 PolarHBondContact O-N 2.99Å; L386-V390 WeakPolarHBondContact O-CG2 3.44Å; L386-V390 PolarHBondContact O-N 3.13Å; L386-T414 HydrophobicContact CD2-CG2 3.26Å; L386-F418 HydrophobicContact CD2-CE1 4Å; L386-F418 HydrophobicContact CD2-CZ 4.25Å; L386-I451 HydrophobicContact CB-CD1 4.35Å; L386-I451 HydrophobicContact CB-CG2 3.64Å |
| 387 | E | 89.9 | Confident | 83.1 | Confident | 52 Ų | 52 | 37.2 Ų | 37.2 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.8 | -174.2 | -178 | -170.3 | 0 | 0 | 111.2 | L383 Q384 L389 V390 Q391 A455 | L383-E387 WeakPolarHBondContact O-CB 3.36Å; L383-E387 PolarHBondContact O-N 2.85Å; Q384-E387 PolarHBondContact O-N 3.4Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 3.27Å; E387-V390 WeakPolarHBondContact O-CB 3.43Å; E387-V390 PolarHBondContact O-N 2.89Å; E387-Q391 WeakPolarHBondContact O-CG 3.39Å; E387-Q391 PolarHBondContact O-N 3.35Å; E387-A455 HydrophobicContact CB-CB 3.93Å; E387-A455 HydrophobicContact CG-CB 4.27Å |
| 388 | L | 88.6 | Confident | 81.5 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 175.4 | -69.5 | 171.4 | 0 | 0 | 0 | 111.4 | Q384 A385 L386 V390 Q391 C392 L401 | Q384-L388 WeakPolarHBondContact O-CG 3.34Å; Q384-L388 PolarHBondContact O-N 3.39Å; Q384-L388 VanDerWaalsContact O-N 3.12Å; A385-L388 PolarHBondContact O-N 3.36Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 3.48Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.87Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 3.42Å; L388-C392 PolarHBondContact O-N 3.06Å; L388-C392 PolarHBondContact O-SG 3.07Å; L388-L401 HydrophobicContact CB-CD1 3.59Å; L388-L401 HydrophobicContact CB-CD2 3.76Å; L388-L401 HydrophobicContact CB-CG 3.96Å; L388-L401 HydrophobicContact CD1-CD2 3.74Å; L388-L401 HydrophobicContact CG-CD2 4.4Å |
| 389 | L | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.9 | -73.8 | 174.6 | 0 | 0 | 0 | 111.5 | A385 L386 E387 Q391 C392 A393 L401 L406 T414 F418 L425 L432 V434 | A385-L389 WeakPolarHBondContact O-CG 3.48Å; A385-L389 PolarHBondContact O-N 3.09Å; L386-L389 HydrophobicContact CD2-CD1 4.26Å; L386-L389 WeakPolarHBondContact O-CB 3.42Å; L386-L389 PolarHBondContact O-N 2.99Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 3.27Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; L389-C392 WeakPolarHBondContact O-CB 3.46Å; L389-C392 PolarHBondContact O-N 3.03Å; L389-A393 WeakPolarHBondContact O-CB 3.35Å; L389-A393 PolarHBondContact O-N 3.04Å; L389-L401 HydrophobicContact CB-CD1 4.13Å; L389-L401 HydrophobicContact CD2-CB 4.45Å; L389-L401 HydrophobicContact CD2-CD1 3.31Å; L389-L401 HydrophobicContact CG-CD1 3.46Å; L389-L401 VanDerWaalsContact CG-CD1 3.46Å; L389-L401 VanDerWaalsContact N-CD1 3.33Å; L389-L406 HydrophobicContact CD1-CD1 3.71Å; L389-T414 HydrophobicContact CD1-CG2 4.11Å; L389-F418 HydrophobicContact CB-CE2 4.13Å; L389-F418 HydrophobicContact CB-CZ 4.05Å; L389-F418 HydrophobicContact CD1-CE2 4.22Å; L389-F418 HydrophobicContact CD1-CZ 4.09Å; L389-L425 HydrophobicContact CD1-CD1 4.15Å; L389-L425 HydrophobicContact CD2-CD1 3.94Å; L389-L432 HydrophobicContact CD2-CB 3.87Å; L389-L432 HydrophobicContact CD2-CD1 4.13Å; L389-V434 HydrophobicContact CB-CG2 3.95Å; L389-V434 HydrophobicContact CD2-CG2 3.39Å; L389-V434 HydrophobicContact CG-CG2 4.17Å |
| 390 | V | 87.1 | Confident | 78.8 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 174.3 | 165 | 0 | 0 | 0 | 0 | 111.6 | L266 L386 E387 L388 C392 A393 S394 C448 I451 | L266-V390 HydrophobicContact CD1-CG1 4.33Å; L386-V390 WeakPolarHBondContact O-CG2 3.44Å; L386-V390 PolarHBondContact O-N 3.13Å; E387-V390 WeakPolarHBondContact O-CB 3.43Å; E387-V390 PolarHBondContact O-N 2.89Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.87Å; V390-C392 VanDerWaalsContact C-N 3.32Å; V390-C392 PolarHBondContact O-N 3.34Å; V390-A393 PolarHBondContact O-N 3.3Å; V390-S394 WeakPolarHBondContact O-CB 3.45Å; V390-S394 PolarHBondContact O-N 2.79Å; V390-S394 PolarHBondContact O-OG 3.24Å; V390-C448 HydrophobicContact CG1-CB 3.62Å; V390-C448 HydrophobicContact CG2-CB 4.37Å; V390-I451 HydrophobicContact CG2-CB 3.99Å; V390-I451 HydrophobicContact CG2-CD1 3.78Å; V390-I451 HydrophobicContact CG2-CG1 4.49Å; V390-I451 HydrophobicContact CG2-CG2 3.83Å |
| 391 | Q | 83.9 | Confident | 78.3 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 174.9 | -71.8 | 175.3 | 9.5 | 0 | 0 | 111.9 | E387 L388 L389 S394 G395 S396 R397 | E387-Q391 WeakPolarHBondContact O-CG 3.39Å; E387-Q391 PolarHBondContact O-N 3.35Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 3.42Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; Q391-S394 WeakPolarHBondContact CA-OG 3.2Å; Q391-S394 PolarHBondContact O-OG 3.09Å; Q391-S394 VanDerWaalsContact O-OG 3.08Å; Q391-G395 PolarHBondContact O-N 3.26Å; Q391-S396 WeakPolarHBondContact CA-OG 3.22Å; Q391-S396 VanDerWaalsContact CB-OG 3.32Å; Q391-S396 WeakPolarHBondContact CB-OG 3.38Å; Q391-S396 PolarHBondContact O-N 3.49Å; Q391-S396 VanDerWaalsContact O-N 3.15Å; Q391-S396 PolarHBondContact O-OG 3.39Å; Q391-R397 HydrophobicContact CB-CB 4.49Å |
| 392 | C | 80.9 | Confident | 77.7 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | L388 L389 V390 S394 G395 T399 | L388-C392 PolarHBondContact O-N 3.06Å; L388-C392 PolarHBondContact O-SG 3.07Å; L389-C392 WeakPolarHBondContact O-CB 3.46Å; L389-C392 PolarHBondContact O-N 3.03Å; V390-C392 VanDerWaalsContact C-N 3.32Å; V390-C392 PolarHBondContact O-N 3.34Å; C392-S394 VanDerWaalsContact C-N 3.27Å; C392-S394 PolarHBondContact O-N 2.93Å; C392-G395 PolarHBondContact O-N 3.03Å; C392-G395 VanDerWaalsContact O-N 3.13Å; C392-T399 PolarHBondContact SG-O 2.96Å |
| 393 | A | 77.6 | Confident | 76.7 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -32.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L389 V390 G395 V434 I436 | L389-A393 WeakPolarHBondContact O-CB 3.35Å; L389-A393 PolarHBondContact O-N 3.04Å; V390-A393 PolarHBondContact O-N 3.3Å; A393-G395 VanDerWaalsContact C-N 3.32Å; A393-V434 HydrophobicContact CB-CB 4.07Å; A393-V434 HydrophobicContact CB-CG1 3.58Å; A393-I436 HydrophobicContact CB-CD1 4.24Å; A393-I436 HydrophobicContact CB-CG1 4.22Å; A393-I436 WeakPolarHBondContact O-CD1 3.2Å |
| 394 | S | 72.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.5 | 178.3 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | Q263 V390 Q391 C392 S396 | Q263-S394 WeakPolarHBondContact CB-O 3.31Å; V390-S394 WeakPolarHBondContact O-CB 3.45Å; V390-S394 PolarHBondContact O-N 2.79Å; V390-S394 PolarHBondContact O-OG 3.24Å; Q391-S394 WeakPolarHBondContact CA-OG 3.2Å; Q391-S394 PolarHBondContact O-OG 3.09Å; Q391-S394 VanDerWaalsContact O-OG 3.08Å; C392-S394 VanDerWaalsContact C-N 3.27Å; C392-S394 PolarHBondContact O-N 2.93Å; S394-S396 PolarHBondContact O-N 3.3Å; S394-S396 PolarHBondContact OG-OG 3.34Å |
| 395 | G | 67.6 | Low | 75.1 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 9.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q391 C392 A393 R397 | Q391-G395 PolarHBondContact O-N 3.26Å; C392-G395 PolarHBondContact O-N 3.03Å; C392-G395 VanDerWaalsContact O-N 3.13Å; A393-G395 VanDerWaalsContact C-N 3.32Å; G395-R397 VanDerWaalsContact C-N 3.26Å; G395-R397 PolarHBondContact O-N 3.42Å |
| 396 | S | 57 | Low | 74.7 | Confident | 52 Ų | 52 | 49 Ų | 49 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.6 | -17.4 | 177.8 | 67 | 0 | 0 | 0 | 0 | 113.8 | Q391 S394 | Q391-S396 WeakPolarHBondContact CA-OG 3.22Å; Q391-S396 VanDerWaalsContact CB-OG 3.32Å; Q391-S396 WeakPolarHBondContact CB-OG 3.38Å; Q391-S396 PolarHBondContact O-N 3.49Å; Q391-S396 VanDerWaalsContact O-N 3.15Å; Q391-S396 PolarHBondContact O-OG 3.39Å; S394-S396 PolarHBondContact O-N 3.3Å; S394-S396 PolarHBondContact OG-OG 3.34Å |
| 397 | R | 57.3 | Low | 74.2 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | trans | -148.4 | 133.3 | -179 | -148.8 | 173.7 | 168.9 | -166.8 | -4.7 | 110.5 | Q391 G395 T399 | Q391-R397 HydrophobicContact CB-CB 4.49Å; G395-R397 VanDerWaalsContact C-N 3.26Å; G395-R397 PolarHBondContact O-N 3.42Å; R397-T399 WeakPolarHBondContact CD-OG1 3.5Å; R397-T399 HydrophobicContact CG-CG2 3.84Å; R397-T399 WeakPolarHBondContact CG-OG1 3.26Å; R397-T399 VanDerWaalsContact NE-CG2 3.26Å; R397-T399 PolarHBondContact NE-OG1 3.3Å; R397-T399 PolarHBondContact O-N 2.96Å | ||
| 398 | E | 55.1 | Low | 73.7 | Confident | 201 Ų | 201 | 55 Ų | 55 | 94% | 0.939 | 32% | 0.324 | S | S | * | . | trans | -77.4 | 5 | 171.5 | -70.1 | -176.6 | 164.2 | 0 | 0 | 112.9 | T400 | E398-T400 PolarHBondContact O-N 3.31Š| ||
| 399 | T | 56 | Low | 73.3 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 118.2 | -172 | 48.6 | 0 | 0 | 0 | 0 | 112 | C392 R397 | C392-T399 PolarHBondContact SG-O 2.96Å; R397-T399 WeakPolarHBondContact CD-OG1 3.5Å; R397-T399 HydrophobicContact CG-CG2 3.84Å; R397-T399 WeakPolarHBondContact CG-OG1 3.26Å; R397-T399 VanDerWaalsContact NE-CG2 3.26Å; R397-T399 PolarHBondContact NE-OG1 3.3Å; R397-T399 PolarHBondContact O-N 2.96Å |
| 400 | T | 64.8 | Low | 73.1 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 126.4 | 164.3 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | E398 V431 | E398-T400 PolarHBondContact O-N 3.31Å; T400-V431 VanDerWaalsContact CB-CG1 3.49Å; T400-V431 HydrophobicContact CG2-CG1 3.62Å; T400-V431 HydrophobicContact CG2-CG2 4.34Å |
| 401 | L | 77.3 | Confident | 73.1 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.4 | 172 | -93.9 | 158.3 | 0 | 0 | 0 | 110.6 | L388 L389 A405 V431 L432 | L388-L401 HydrophobicContact CB-CD1 3.59Å; L388-L401 HydrophobicContact CB-CD2 3.76Å; L388-L401 HydrophobicContact CB-CG 3.96Å; L388-L401 HydrophobicContact CD1-CD2 3.74Å; L388-L401 HydrophobicContact CG-CD2 4.4Å; L389-L401 HydrophobicContact CB-CD1 4.13Å; L389-L401 HydrophobicContact CD2-CB 4.45Å; L389-L401 HydrophobicContact CD2-CD1 3.31Å; L389-L401 HydrophobicContact CG-CD1 3.46Å; L389-L401 VanDerWaalsContact CG-CD1 3.46Å; L389-L401 VanDerWaalsContact N-CD1 3.33Å; L401-A405 HydrophobicContact CD2-CB 4.09Å; L401-V431 CarbonylContact O-C 3.59Å; L401-V431 WeakPolarHBondContact O-CA 3.48Å; L401-L432 HydrophobicContact CB-CB 4.14Å; L401-L432 HydrophobicContact CB-CD1 4.47Å; L401-L432 PolarHBondContact O-N 2.99Å |
| 402 | S | 75.6 | Confident | 73.2 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139.5 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | T404 A405 D430 | S402-T404 PolarHBondContact O-N 3.39Å; S402-T404 PolarHBondContact OG-N 3.28Å; S402-T404 PolarHBondContact OG-OG1 2.78Å; S402-A405 WeakPolarHBondContact O-CB 3.42Å; S402-A405 PolarHBondContact O-N 2.84Å; S402-D430 CarbonylContact C-O 3.56Å; S402-D430 VanDerWaalsContact CA-O 3.31Å; S402-D430 WeakPolarHBondContact CA-O 3.23Å |
| 403 | S | 68.4 | Low | 73.5 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.8 | -26.6 | 172.9 | 62 | 0 | 0 | 0 | 0 | 112.7 | A405 D430 | S403-A405 VanDerWaalsContact C-N 3.25Å; S403-A405 PolarHBondContact O-N 3.42Å; S403-D430 PolarHBondContact N-O 2.76Å; S403-D430 WeakPolarHBondContact OG-CA 3.45Å |
| 404 | T | 70.7 | Confident | 74 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 71% | 0.712 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -74.4 | -9.6 | 176.6 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | S402 L406 | S402-T404 PolarHBondContact O-N 3.39Å; S402-T404 PolarHBondContact OG-N 3.28Å; S402-T404 PolarHBondContact OG-OG1 2.78Å; T404-L406 PolarHBondContact O-N 2.78Å |
| 405 | A | 76.7 | Confident | 74.8 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -72 | -20.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A385 L401 S402 S403 | A385-A405 HydrophobicContact CB-CB 4.49Å; L401-A405 HydrophobicContact CD2-CB 4.09Å; S402-A405 WeakPolarHBondContact O-CB 3.42Å; S402-A405 PolarHBondContact O-N 2.84Å; S403-A405 VanDerWaalsContact C-N 3.25Å; S403-A405 PolarHBondContact O-N 3.42Å |
| 406 | L | 81.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -121.3 | 116 | 172.8 | -73 | 175.1 | 0 | 0 | 0 | 109 | T382 A385 L389 T404 D410 T414 L432 | T382-L406 HydrophobicContact CG2-CD2 3.97Å; A385-L406 HydrophobicContact CB-CD2 3.66Å; A385-L406 HydrophobicContact CB-CG 4.04Å; L389-L406 HydrophobicContact CD1-CD1 3.71Å; T404-L406 PolarHBondContact O-N 2.78Å; L406-D410 HydrophobicContact CD2-CB 4.27Å; L406-T414 HydrophobicContact CD1-CG2 4.26Å; L406-L432 HydrophobicContact CB-CD1 4.44Å; L406-L432 HydrophobicContact CD1-CD1 3.87Å; L406-L432 HydrophobicContact CG-CD1 4.24Å |
| 407 | P | 81.6 | Confident | 77.2 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | trans | -51.7 | 153.5 | 167.5 | -24.3 | 33.5 | 0 | 0 | 0 | 111.2 | D409 D410 Y411 | P407-D409 VanDerWaalsContact C-N 3.31Å; P407-D409 PolarHBondContact O-N 3.02Å; P407-D410 CarbonylContact O-C 3.56Å; P407-D410 WeakPolarHBondContact O-CA 3.29Å; P407-D410 PolarHBondContact O-N 3.26Å; P407-Y411 PolarHBondContact O-N 3.35Å | ||
| 408 | D | 80.1 | Confident | 78.8 | Confident | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.7 | -44.4 | -174.5 | -71.7 | -28.2 | 0 | 0 | 0 | 113 | D410 Y411 E412 R427 | D408-D410 VanDerWaalsContact C-N 3.27Å; D408-D410 PolarHBondContact O-N 3.26Å; D408-Y411 PolarHBondContact O-N 3.19Å; D408-E412 WeakPolarHBondContact O-CG 3.45Å; D408-E412 PolarHBondContact O-N 2.84Å; D408-R427 IonicContact OD1-CZ 3.15Å; D408-R427 IonicContact OD1-NH1 2.69Å; D408-R427 PolarHBondContact OD1-NH1 2.65Å; D408-R427 IonicContact OD1-NH2 2.7Å; D408-R427 PolarHBondContact OD1-NH2 2.78Å |
| 409 | D | 80.1 | Confident | 80.3 | Confident | 100 Ų | 100 | 47.8 Ų | 47.8 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58 | -37.9 | 175.1 | -71.3 | 1.7 | 0 | 0 | 0 | 112.9 | P407 R413 | P407-D409 VanDerWaalsContact C-N 3.31Å; P407-D409 PolarHBondContact O-N 3.02Å; D409-R413 VanDerWaalsContact O-CG 3.3Å; D409-R413 WeakPolarHBondContact O-CG 3.44Å; D409-R413 PolarHBondContact O-N 2.84Å |
| 410 | D | 84.1 | Confident | 81.7 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.4 | -31.2 | 179.8 | -75 | -9.5 | 0 | 0 | 0 | 111.8 | T382 L406 P407 D408 R413 T414 | T382-D410 HydrophobicContact CG2-CB 4.19Å; T382-D410 PolarHBondContact OG1-OD2 3.25Å; L406-D410 HydrophobicContact CD2-CB 4.27Å; P407-D410 CarbonylContact O-C 3.56Å; P407-D410 WeakPolarHBondContact O-CA 3.29Å; P407-D410 PolarHBondContact O-N 3.26Å; D408-D410 VanDerWaalsContact C-N 3.27Å; D408-D410 PolarHBondContact O-N 3.26Å; D410-R413 IonicContact OD1-NH1 2.72Å; D410-R413 PolarHBondContact OD1-NH1 3.21Å; D410-T414 WeakPolarHBondContact O-CB 3.44Å; D410-T414 PolarHBondContact O-N 2.8Å; D410-T414 PolarHBondContact O-OG1 2.82Å |
| 411 | Y | 86.9 | Confident | 82.8 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 172.6 | 175.5 | -85.8 | 0 | 0 | 0 | 110.4 | P407 D408 R413 T414 E415 L425 R427 L432 | P407-Y411 PolarHBondContact O-N 3.35Å; D408-Y411 PolarHBondContact O-N 3.19Å; Y411-R413 VanDerWaalsContact C-N 3.34Å; Y411-R413 PolarHBondContact O-N 2.78Å; Y411-T414 PolarHBondContact O-N 2.93Å; Y411-E415 HydrophobicContact CE1-CB 4.25Å; Y411-E415 VanDerWaalsContact O-CB 3.31Å; Y411-E415 WeakPolarHBondContact O-CB 3.34Å; Y411-E415 PolarHBondContact O-N 2.85Å; Y411-E415 PolarHBondContact OH-OE1 2.95Å; Y411-L425 HydrophobicContact CD2-CD2 3.83Å; Y411-L425 HydrophobicContact CD2-CG 4.42Å; Y411-L425 HydrophobicContact CE2-CD1 4.48Å; Y411-L425 HydrophobicContact CE2-CD2 3.59Å; Y411-L425 HydrophobicContact CE2-CG 3.71Å; Y411-R427 VanDerWaalsContact CB-NH2 3.35Å; Y411-R427 HydrophobicContact CE2-CB 3.89Å; Y411-R427 PolarHBondContact OH-N 2.71Å; Y411-L432 HydrophobicContact CD2-CD2 3.73Å; Y411-L432 HydrophobicContact CE2-CD2 3.57Å |
| 412 | E | 85.9 | Confident | 83.3 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -42.1 | -179.1 | -66.2 | -175.6 | 169.2 | 0 | 0 | 111.4 | L99 D408 H416 | L99-E412 HydrophobicContact CD1-CB 3.61Å; L99-E412 HydrophobicContact CD2-CB 3.93Å; L99-E412 WeakPolarHBondContact CD2-OE2 3.18Å; L99-E412 HydrophobicContact CG-CB 3.85Å; L99-E412 WeakPolarHBondContact CG-OE2 3.36Å; D408-E412 WeakPolarHBondContact O-CG 3.45Å; D408-E412 PolarHBondContact O-N 2.84Å; E412-H416 PolarHBondContact O-N 2.84Å; E412-H416 VanDerWaalsContact O-N 3.09Å |
| 413 | R | 87.3 | Confident | 83.8 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.5 | -69.6 | 173.5 | -165.8 | 129.9 | 7.5 | 112 | L99 V373 D409 D410 Y411 H416 V417 | L99-R413 HydrophobicContact CD1-CG 4.44Å; V373-R413 HydrophobicContact CG1-CB 3.77Å; V373-R413 HydrophobicContact CG1-CG 4.08Å; D409-R413 VanDerWaalsContact O-CG 3.3Å; D409-R413 WeakPolarHBondContact O-CG 3.44Å; D409-R413 PolarHBondContact O-N 2.84Å; D410-R413 IonicContact OD1-NH1 2.72Å; D410-R413 PolarHBondContact OD1-NH1 3.21Å; Y411-R413 VanDerWaalsContact C-N 3.34Å; Y411-R413 PolarHBondContact O-N 2.78Å; R413-H416 PolarHBondContact O-N 3.17Å; R413-V417 WeakPolarHBondContact O-CG2 3.36Å; R413-V417 PolarHBondContact O-N 3.28Å |
| 414 | T | 88.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 179.2 | -59.4 | 0 | 0 | 0 | 0 | 111 | L386 L389 L406 D410 Y411 H416 V417 F418 L425 | L386-T414 HydrophobicContact CD2-CG2 3.26Å; L389-T414 HydrophobicContact CD1-CG2 4.11Å; L406-T414 HydrophobicContact CD1-CG2 4.26Å; D410-T414 WeakPolarHBondContact O-CB 3.44Å; D410-T414 PolarHBondContact O-N 2.8Å; D410-T414 PolarHBondContact O-OG1 2.82Å; Y411-T414 PolarHBondContact O-N 2.93Å; T414-H416 VanDerWaalsContact C-N 3.28Å; T414-H416 PolarHBondContact O-N 2.77Å; T414-V417 PolarHBondContact O-N 3.01Å; T414-F418 HydrophobicContact CG2-CD1 3.68Å; T414-F418 HydrophobicContact CG2-CE1 3.52Å; T414-F418 HydrophobicContact CG2-CE2 4.44Å; T414-F418 HydrophobicContact CG2-CG 4.24Å; T414-F418 HydrophobicContact CG2-CZ 3.94Å; T414-F418 VanDerWaalsContact O-CB 3.31Å; T414-F418 WeakPolarHBondContact O-CB 3.36Å; T414-F418 WeakPolarHBondContact O-CD1 3.44Å; T414-F418 WeakPolarHBondContact O-CG 3.38Å; T414-F418 PolarHBondContact O-N 3.4Å; T414-L425 HydrophobicContact CG2-CD2 3.73Å |
| 415 | E | 88.3 | Confident | 85.5 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 177.8 | -174.5 | 176.3 | -115.7 | 0 | 0 | 110.8 | Y411 F418 A419 L425 | Y411-E415 HydrophobicContact CE1-CB 4.25Å; Y411-E415 VanDerWaalsContact O-CB 3.31Å; Y411-E415 WeakPolarHBondContact O-CB 3.34Å; Y411-E415 PolarHBondContact O-N 2.85Å; Y411-E415 PolarHBondContact OH-OE1 2.95Å; E415-F418 PolarHBondContact O-N 3.42Å; E415-A419 VanDerWaalsContact O-CB 3.22Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 3.37Å; E415-L425 HydrophobicContact CB-CB 4.49Å; E415-L425 HydrophobicContact CB-CD2 4.28Å; E415-L425 HydrophobicContact CG-CB 4.49Å |
| 416 | H | 86 | Confident | 85.9 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -52 | 174.7 | -177.7 | 71.2 | 0 | 0 | 0 | 112.5 | E412 R413 T414 F418 A419 S420 | E412-H416 PolarHBondContact O-N 2.84Å; E412-H416 VanDerWaalsContact O-N 3.09Å; R413-H416 PolarHBondContact O-N 3.17Å; T414-H416 VanDerWaalsContact C-N 3.28Å; T414-H416 PolarHBondContact O-N 2.77Å; H416-F418 VanDerWaalsContact C-N 3.3Å; H416-F418 PolarHBondContact O-N 3.2Å; H416-A419 PolarHBondContact O-N 2.97Å; H416-S420 PolarHBondContact O-N 3Å; H416-S420 PolarHBondContact O-OG 2.79Å |
| 417 | V | 89.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | V373 L374 R413 T414 C421 L447 | V373-V417 HydrophobicContact CB-CG2 3.88Å; V373-V417 HydrophobicContact CG1-CG2 3.66Å; L374-V417 HydrophobicContact CB-CG2 4.39Å; R413-V417 WeakPolarHBondContact O-CG2 3.36Å; R413-V417 PolarHBondContact O-N 3.28Å; T414-V417 PolarHBondContact O-N 3.01Å; V417-C421 PolarHBondContact O-N 2.69Å; V417-C421 PolarHBondContact O-SG 2.65Å; V417-C421 VanDerWaalsContact O-SG 3.35Å; V417-L447 HydrophobicContact CG1-CD1 3.66Å |
| 418 | F | 90.4 | Very high | 86 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -47.2 | 179.8 | -83 | 38.7 | 0 | 0 | 0 | 110.2 | L386 L389 T414 E415 H416 S420 C421 N422 V423 L425 V434 L447 I451 | L386-F418 HydrophobicContact CD2-CE1 4Å; L386-F418 HydrophobicContact CD2-CZ 4.25Å; L389-F418 HydrophobicContact CB-CE2 4.13Å; L389-F418 HydrophobicContact CB-CZ 4.05Å; L389-F418 HydrophobicContact CD1-CE2 4.22Å; L389-F418 HydrophobicContact CD1-CZ 4.09Å; T414-F418 HydrophobicContact CG2-CD1 3.68Å; T414-F418 HydrophobicContact CG2-CE1 3.52Å; T414-F418 HydrophobicContact CG2-CE2 4.44Å; T414-F418 HydrophobicContact CG2-CG 4.24Å; T414-F418 HydrophobicContact CG2-CZ 3.94Å; T414-F418 VanDerWaalsContact O-CB 3.31Å; T414-F418 WeakPolarHBondContact O-CB 3.36Å; T414-F418 WeakPolarHBondContact O-CD1 3.44Å; T414-F418 WeakPolarHBondContact O-CG 3.38Å; T414-F418 PolarHBondContact O-N 3.4Å; E415-F418 PolarHBondContact O-N 3.42Å; H416-F418 VanDerWaalsContact C-N 3.3Å; H416-F418 PolarHBondContact O-N 3.2Å; F418-S420 VanDerWaalsContact C-N 3.34Å; F418-S420 PolarHBondContact O-N 3.09Å; F418-C421 CarbonylContact O-C 3.57Å; F418-C421 WeakPolarHBondContact O-CA 3.29Å; F418-C421 PolarHBondContact O-N 2.81Å; F418-N422 PolarHBondContact O-N 2.88Å; F418-V423 CarbonylContact C-O 3.54Å; F418-V423 HydrophobicContact CB-CB 3.97Å; F418-V423 HydrophobicContact CB-CG1 4.24Å; F418-V423 WeakPolarHBondContact CB-O 3.15Å; F418-V423 HydrophobicContact CD2-CB 4.11Å; F418-V423 HydrophobicContact CD2-CG1 3.5Å; F418-V423 HydrophobicContact CE2-CG1 4.17Å; F418-V423 HydrophobicContact CG-CB 4.26Å; F418-V423 HydrophobicContact CG-CG1 4.15Å; F418-V423 CarbonylContact O-C 3.59Å; F418-V423 WeakPolarHBondContact O-CA 3.47Å; F418-V423 WeakPolarHBondContact O-CB 3.26Å; F418-V423 PolarHBondContact O-N 3.3Å; F418-L425 HydrophobicContact CD2-CB 4.13Å; F418-V434 HydrophobicContact CD2-CG1 4.01Å; F418-V434 HydrophobicContact CE2-CG1 3.85Å; F418-V434 HydrophobicContact CE2-CG2 4.13Å; F418-L447 HydrophobicContact CD1-CD2 3.75Å; F418-L447 HydrophobicContact CE1-CD2 4.05Å; F418-L447 HydrophobicContact CG-CD2 4.2Å; F418-I451 HydrophobicContact CE1-CD1 3.74Å; F418-I451 HydrophobicContact CZ-CD1 4.14Å |
| 419 | A | 87.3 | Confident | 85.9 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 40% | 0.397 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -43.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | E415 H416 C421 N422 V423 | E415-A419 VanDerWaalsContact O-CB 3.22Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 3.37Å; H416-A419 PolarHBondContact O-N 2.97Å; A419-C421 PolarHBondContact O-N 3.14Å; A419-N422 PolarHBondContact O-N 3.31Å; A419-N422 VanDerWaalsContact O-N 3.17Å; A419-V423 WeakPolarHBondContact CA-O 3.46Å; A419-V423 PolarHBondContact N-O 2.62Å; A419-V423 VanDerWaalsContact N-O 3.13Å |
| 420 | S | 85 | Confident | 85.9 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -18.1 | 176.3 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | D369 C370 H416 F418 | D369-S420 PolarHBondContact OD2-OG 3.33Å; C370-S420 WeakPolarHBondContact SG-CB 3.25Å; H416-S420 PolarHBondContact O-N 3Å; H416-S420 PolarHBondContact O-OG 2.79Å; F418-S420 VanDerWaalsContact C-N 3.34Å; F418-S420 PolarHBondContact O-N 3.09Å |
| 421 | C | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 19.3 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | V417 F418 A419 V423 P444 L447 | V417-C421 PolarHBondContact O-N 2.69Å; V417-C421 PolarHBondContact O-SG 2.65Å; V417-C421 VanDerWaalsContact O-SG 3.35Å; F418-C421 CarbonylContact O-C 3.57Å; F418-C421 WeakPolarHBondContact O-CA 3.29Å; F418-C421 PolarHBondContact O-N 2.81Å; A419-C421 PolarHBondContact O-N 3.14Å; C421-V423 VanDerWaalsContact C-N 3.27Å; C421-V423 PolarHBondContact O-N 3.45Å; C421-P444 VanDerWaalsContact O-CD 3.29Å; C421-P444 WeakPolarHBondContact O-CD 3.37Å; C421-P444 WeakPolarHBondContact O-CG 3.31Å; C421-L447 HydrophobicContact CB-CB 3.98Å; C421-L447 HydrophobicContact CB-CD2 3.68Å; C421-L447 HydrophobicContact CB-CG 4.34Å |
| 422 | N | 86.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 33.2 | -178.2 | -62.6 | -15.9 | 0 | 0 | 0 | 114 | F418 A419 K437 E439 P444 | F418-N422 PolarHBondContact O-N 2.88Å; A419-N422 PolarHBondContact O-N 3.31Å; A419-N422 VanDerWaalsContact O-N 3.17Å; N422-K437 HydrophobicContact CB-CB 4.46Å; N422-K437 WeakPolarHBondContact O-CB 3.33Å; N422-K437 PolarHBondContact O-N 2.87Å; N422-E439 VanDerWaalsContact CG-OE2 3.31Å; N422-E439 PolarHBondContact ND2-OE2 3.21Å; N422-E439 VanDerWaalsContact ND2-OE2 3.09Å; N422-E439 PolarHBondContact OD1-OE2 3.4Å; N422-P444 HydrophobicContact CB-CG 4.26Å |
| 423 | V | 87.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.4 | 172.6 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | F418 A419 C421 V434 I436 P444 L447 | F418-V423 CarbonylContact C-O 3.54Å; F418-V423 HydrophobicContact CB-CB 3.97Å; F418-V423 HydrophobicContact CB-CG1 4.24Å; F418-V423 WeakPolarHBondContact CB-O 3.15Å; F418-V423 HydrophobicContact CD2-CB 4.11Å; F418-V423 HydrophobicContact CD2-CG1 3.5Å; F418-V423 HydrophobicContact CE2-CG1 4.17Å; F418-V423 HydrophobicContact CG-CB 4.26Å; F418-V423 HydrophobicContact CG-CG1 4.15Å; F418-V423 CarbonylContact O-C 3.59Å; F418-V423 WeakPolarHBondContact O-CA 3.47Å; F418-V423 WeakPolarHBondContact O-CB 3.26Å; F418-V423 PolarHBondContact O-N 3.3Å; A419-V423 WeakPolarHBondContact CA-O 3.46Å; A419-V423 PolarHBondContact N-O 2.62Å; A419-V423 VanDerWaalsContact N-O 3.13Å; C421-V423 VanDerWaalsContact C-N 3.27Å; C421-V423 PolarHBondContact O-N 3.45Å; V423-V434 HydrophobicContact CG1-CG1 3.24Å; V423-I436 HydrophobicContact CG2-CG1 4.42Å; V423-P444 HydrophobicContact CG2-CB 3.87Å; V423-P444 HydrophobicContact CG2-CG 4.26Å; V423-L447 HydrophobicContact CG2-CD2 4.28Å |
| 424 | S | 86 | Confident | 85.5 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.1 | 170.3 | 38.3 | 0 | 0 | 0 | 0 | 110.4 | V434 E435 | S424-V434 WeakPolarHBondContact O-CA 3.09Å; S424-E435 PolarHBondContact N-O 2.81Å; S424-E435 PolarHBondContact O-N 3.31Å; S424-E435 PolarHBondContact OG-O 3.34Å; S424-E435 VanDerWaalsContact OG-O 3.09Å |
| 425 | L | 88.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.7 | 163.8 | -178.7 | 64.2 | 0 | 0 | 0 | 107.9 | L389 Y411 T414 E415 F418 L432 R433 V434 | L389-L425 HydrophobicContact CD1-CD1 4.15Å; L389-L425 HydrophobicContact CD2-CD1 3.94Å; Y411-L425 HydrophobicContact CD2-CD2 3.83Å; Y411-L425 HydrophobicContact CD2-CG 4.42Å; Y411-L425 HydrophobicContact CE2-CD1 4.48Å; Y411-L425 HydrophobicContact CE2-CD2 3.59Å; Y411-L425 HydrophobicContact CE2-CG 3.71Å; T414-L425 HydrophobicContact CG2-CD2 3.73Å; E415-L425 HydrophobicContact CB-CB 4.49Å; E415-L425 HydrophobicContact CB-CD2 4.28Å; E415-L425 HydrophobicContact CG-CB 4.49Å; F418-L425 HydrophobicContact CD2-CB 4.13Å; L425-L432 HydrophobicContact CD1-CB 4.3Å; L425-R433 CarbonylContact C-O 3.49Å; L425-R433 WeakPolarHBondContact CA-O 2.99Å; L425-V434 HydrophobicContact CD1-CG2 3.85Å |
| 426 | R | 85.6 | Confident | 84.9 | Confident | 144 Ų | 144 | 52.2 Ų | 52.2 | 54% | 0.543 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.4 | 173.5 | -63.7 | -173.9 | -172.1 | 170.4 | 8.9 | 110.1 | L432 R433 | R426-L432 WeakPolarHBondContact O-CA 3.44Å; R426-R433 PolarHBondContact N-O 2.83Å; R426-R433 PolarHBondContact O-N 3.01Å |
| 427 | R | 84 | Confident | 84.5 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.3 | 171.3 | -170.5 | -179.7 | -76.3 | 177.8 | -12.4 | 109.2 | D408 Y411 L432 | D408-R427 IonicContact OD1-CZ 3.15Å; D408-R427 IonicContact OD1-NH1 2.69Å; D408-R427 PolarHBondContact OD1-NH1 2.65Å; D408-R427 IonicContact OD1-NH2 2.7Å; D408-R427 PolarHBondContact OD1-NH2 2.78Å; Y411-R427 VanDerWaalsContact CB-NH2 3.35Å; Y411-R427 HydrophobicContact CE2-CB 3.89Å; Y411-R427 PolarHBondContact OH-N 2.71Å; R427-L432 HydrophobicContact CB-CD2 4.18Å; R427-L432 HydrophobicContact CG-CD2 4.17Å |
| 428 | D | 80.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 90.7 | 175.5 | -75.6 | -12.4 | 0 | 0 | 0 | 108.7 | D430 V431 R433 | D428-D430 PolarHBondContact O-N 2.76Å; D428-V431 PolarHBondContact N-O 2.85Å; D428-V431 PolarHBondContact O-N 3.26Å; D428-R433 WeakPolarHBondContact OD2-CD 3.06Å; D428-R433 IonicContact OD2-CZ 3.14Å; D428-R433 IonicContact OD2-NE 2.67Å; D428-R433 PolarHBondContact OD2-NE 3.05Å; D428-R433 IonicContact OD2-NH1 3.21Å |
| 429 | S | 78.5 | Confident | 81.8 | Confident | 108 Ų | 108 | 66 Ų | 66 | 76% | 0.755 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -107.2 | -175 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 430 | D | 79.3 | Confident | 80.4 | Confident | 122 Ų | 122 | 72 Ų | 72 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.4 | -178.1 | -65.8 | -27.2 | 0 | 0 | 0 | 113.2 | S402 S403 D428 | S402-D430 CarbonylContact C-O 3.56Å; S402-D430 VanDerWaalsContact CA-O 3.31Å; S402-D430 WeakPolarHBondContact CA-O 3.23Å; S403-D430 PolarHBondContact N-O 2.76Å; S403-D430 WeakPolarHBondContact OG-CA 3.45Å; D428-D430 PolarHBondContact O-N 2.76Å |
| 431 | V | 82.6 | Confident | 79.7 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134 | -174.1 | 174 | 0 | 0 | 0 | 0 | 111.8 | T400 L401 D428 R433 | T400-V431 VanDerWaalsContact CB-CG1 3.49Å; T400-V431 HydrophobicContact CG2-CG1 3.62Å; T400-V431 HydrophobicContact CG2-CG2 4.34Å; L401-V431 CarbonylContact O-C 3.59Å; L401-V431 WeakPolarHBondContact O-CA 3.48Å; D428-V431 PolarHBondContact N-O 2.85Å; D428-V431 PolarHBondContact O-N 3.26Å; V431-R433 HydrophobicContact CG1-CG 4.18Å |
| 432 | L | 84.4 | Confident | 79.4 | Confident | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.8 | 166.1 | -60.6 | 179.6 | 0 | 0 | 0 | 110.1 | L389 L401 L406 Y411 L425 R426 R427 | L389-L432 HydrophobicContact CD2-CB 3.87Å; L389-L432 HydrophobicContact CD2-CD1 4.13Å; L401-L432 HydrophobicContact CB-CB 4.14Å; L401-L432 HydrophobicContact CB-CD1 4.47Å; L401-L432 PolarHBondContact O-N 2.99Å; L406-L432 HydrophobicContact CB-CD1 4.44Å; L406-L432 HydrophobicContact CD1-CD1 3.87Å; L406-L432 HydrophobicContact CG-CD1 4.24Å; Y411-L432 HydrophobicContact CD2-CD2 3.73Å; Y411-L432 HydrophobicContact CE2-CD2 3.57Å; L425-L432 HydrophobicContact CD1-CB 4.3Å; R426-L432 WeakPolarHBondContact O-CA 3.44Å; R427-L432 HydrophobicContact CB-CD2 4.18Å; R427-L432 HydrophobicContact CG-CD2 4.17Å |
| 433 | R | 82.3 | Confident | 79.5 | Confident | 152 Ų | 152 | 77.4 Ų | 77.4 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.5 | 174.3 | -63.1 | -162.2 | -174.8 | -172.2 | 0.9 | 110.4 | L425 R426 D428 V431 | L425-R433 CarbonylContact C-O 3.49Å; L425-R433 WeakPolarHBondContact CA-O 2.99Å; R426-R433 PolarHBondContact N-O 2.83Å; R426-R433 PolarHBondContact O-N 3.01Å; D428-R433 WeakPolarHBondContact OD2-CD 3.06Å; D428-R433 IonicContact OD2-CZ 3.14Å; D428-R433 IonicContact OD2-NE 2.67Å; D428-R433 PolarHBondContact OD2-NE 3.05Å; D428-R433 IonicContact OD2-NH1 3.21Å; V431-R433 HydrophobicContact CG1-CG 4.18Å |
| 434 | V | 86.1 | Confident | 79.6 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.4 | 176.9 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | L389 A393 F418 V423 S424 L425 | L389-V434 HydrophobicContact CB-CG2 3.95Å; L389-V434 HydrophobicContact CD2-CG2 3.39Å; L389-V434 HydrophobicContact CG-CG2 4.17Å; A393-V434 HydrophobicContact CB-CB 4.07Å; A393-V434 HydrophobicContact CB-CG1 3.58Å; F418-V434 HydrophobicContact CD2-CG1 4.01Å; F418-V434 HydrophobicContact CE2-CG1 3.85Å; F418-V434 HydrophobicContact CE2-CG2 4.13Å; V423-V434 HydrophobicContact CG1-CG1 3.24Å; S424-V434 WeakPolarHBondContact O-CA 3.09Å; L425-V434 HydrophobicContact CD1-CG2 3.85Å |
| 435 | E | 83.3 | Confident | 79.8 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.5 | 178 | -179.8 | 178.1 | -163.6 | 0 | 0 | 108.9 | S424 K437 | S424-E435 PolarHBondContact N-O 2.81Å; S424-E435 PolarHBondContact O-N 3.31Å; S424-E435 PolarHBondContact OG-O 3.34Å; S424-E435 VanDerWaalsContact OG-O 3.09Å; E435-K437 PolarHBondContact O-N 2.99Å |
| 436 | I | 82.3 | Confident | 80 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.6 | 174.8 | -62.4 | 176.7 | 0 | 0 | 0 | 107.8 | A393 V423 H438 P444 | A393-I436 HydrophobicContact CB-CD1 4.24Å; A393-I436 HydrophobicContact CB-CG1 4.22Å; A393-I436 WeakPolarHBondContact O-CD1 3.2Å; V423-I436 HydrophobicContact CG2-CG1 4.42Å; I436-H438 PolarHBondContact O-N 3.38Å; I436-P444 HydrophobicContact CD1-CB 4.28Å; I436-P444 HydrophobicContact CG1-CB 4.33Å; I436-P444 HydrophobicContact CG2-CB 3.6Å; I436-P444 HydrophobicContact CG2-CG 3.63Å |
| 437 | K | 76.4 | Confident | 80.4 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | trans | -72.6 | 129.2 | 174.7 | -60.9 | 179.2 | -178 | 173.8 | 0 | 108.7 | N422 E435 E439 | N422-K437 HydrophobicContact CB-CB 4.46Å; N422-K437 WeakPolarHBondContact O-CB 3.33Å; N422-K437 PolarHBondContact O-N 2.87Å; E435-K437 PolarHBondContact O-N 2.99Å; K437-E439 HydrophobicContact CB-CG 4.48Å; K437-E439 PolarHBondContact O-N 2.89Å | ||
| 438 | H | 63.6 | Low | 80.8 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 67% | 0.667 | 34% | 0.343 | S | S | * | . | trans | -77.9 | 73.9 | 177.7 | -71.4 | -48.8 | 0 | 0 | 0 | 111.3 | I436 | I436-H438 PolarHBondContact O-N 3.38Š| ||
| 439 | E | 60.9 | Low | 81.4 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | trans | -107.2 | 166 | 171.8 | -68.9 | -175.5 | -168.9 | 0 | 0 | 111.2 | N422 K437 G441 | N422-E439 VanDerWaalsContact CG-OE2 3.31Å; N422-E439 PolarHBondContact ND2-OE2 3.21Å; N422-E439 VanDerWaalsContact ND2-OE2 3.09Å; N422-E439 PolarHBondContact OD1-OE2 3.4Å; K437-E439 HydrophobicContact CB-CG 4.48Å; K437-E439 PolarHBondContact O-N 2.89Å; E439-G441 PolarHBondContact O-N 3.29Å | ||
| 440 | Q | 57.9 | Low | 82.3 | Confident | 174 Ų | 174 | 58.7 Ų | 58.7 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -68.5 | 128.9 | 176.2 | -69.8 | -177.1 | -2.3 | 0 | 0 | 110.3 | ||
| 441 | G | 69.4 | Low | 83 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 131.6 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E439 | E439-G441 PolarHBondContact O-N 3.29Š|
| 442 | N | 83.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -102.8 | 6.8 | 179.8 | -65.7 | -36.5 | 0 | 0 | 0 | 112.9 | W44 L445 I446 | W44-N442 HydrophobicContact CB-CB 4.1Å; N442-L445 WeakPolarHBondContact O-CB 3.49Å; N442-L445 PolarHBondContact O-N 3.06Å; N442-I446 HydrophobicContact CB-CD1 3.88Å; N442-I446 HydrophobicContact CB-CG1 4.24Å; N442-I446 VanDerWaalsContact O-CG1 3.31Å; N442-I446 WeakPolarHBondContact O-CG1 3.46Å; N442-I446 PolarHBondContact O-N 3.29Å |
| 443 | Y | 87.8 | Confident | 84.1 | Confident | 60 Ų | 60 | 52.6 Ų | 52.6 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.4 | -43.7 | -174.1 | -71.6 | -62.3 | 0 | 0 | 0 | 114.5 | K46 E365 P367 L445 I446 L447 | K46-Y443 PolarHBondContact NZ-OH 3.44Å; E365-Y443 WeakPolarHBondContact O-CE1 3.22Å; P367-Y443 HydrophobicContact CG-CD1 4.27Å; P367-Y443 HydrophobicContact CG-CE1 4.09Å; Y443-L445 VanDerWaalsContact C-N 3.32Å; Y443-L445 PolarHBondContact O-N 3.03Å; Y443-I446 PolarHBondContact O-N 3.13Å; Y443-L447 WeakPolarHBondContact O-CB 3.21Å; Y443-L447 PolarHBondContact O-N 3.25Å |
| 444 | P | 89.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.2 | -25.7 | 33.8 | 0 | 0 | 0 | 112.9 | C421 N422 V423 I436 C448 | C421-P444 VanDerWaalsContact O-CD 3.29Å; C421-P444 WeakPolarHBondContact O-CD 3.37Å; C421-P444 WeakPolarHBondContact O-CG 3.31Å; N422-P444 HydrophobicContact CB-CG 4.26Å; V423-P444 HydrophobicContact CG2-CB 3.87Å; V423-P444 HydrophobicContact CG2-CG 4.26Å; I436-P444 HydrophobicContact CD1-CB 4.28Å; I436-P444 HydrophobicContact CG1-CB 4.33Å; I436-P444 HydrophobicContact CG2-CB 3.6Å; I436-P444 HydrophobicContact CG2-CG 3.63Å; P444-C448 PolarHBondContact O-N 2.85Å; P444-C448 PolarHBondContact O-SG 3.37Å |
| 445 | L | 89.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 177.8 | 171.9 | 65.7 | 0 | 0 | 0 | 111.2 | F43 T262 E265 L266 N442 Y443 L447 C448 I449 | F43-L445 HydrophobicContact CE2-CD2 3.57Å; F43-L445 HydrophobicContact CZ-CD2 3.56Å; T262-L445 HydrophobicContact CG2-CB 4.42Å; T262-L445 HydrophobicContact CG2-CD1 3.88Å; E265-L445 HydrophobicContact CB-CD1 3.98Å; E265-L445 HydrophobicContact CB-CD2 4.18Å; E265-L445 HydrophobicContact CG-CD2 4.34Å; L266-L445 HydrophobicContact CD2-CD1 4.4Å; L266-L445 HydrophobicContact CG-CD1 4.25Å; N442-L445 WeakPolarHBondContact O-CB 3.49Å; N442-L445 PolarHBondContact O-N 3.06Å; Y443-L445 VanDerWaalsContact C-N 3.32Å; Y443-L445 PolarHBondContact O-N 3.03Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 3.19Å; L445-C448 WeakPolarHBondContact O-CB 3.39Å; L445-C448 PolarHBondContact O-N 2.94Å; L445-C448 VanDerWaalsContact O-N 3.17Å; L445-I449 HydrophobicContact CD1-CD1 3.99Å; L445-I449 HydrophobicContact CD1-CG1 4.2Å; L445-I449 HydrophobicContact CG-CD1 3.88Å; L445-I449 HydrophobicContact CG-CG1 4.49Å; L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.44Å; L445-I449 PolarHBondContact O-N 2.82Å |
| 446 | I | 92.5 | Very high | 85.6 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 178.4 | -66.3 | 161.8 | 0 | 0 | 0 | 110.2 | W44 A362 E365 L366 N442 Y443 C448 I449 A450 | W44-I446 HydrophobicContact CB-CD1 4.41Å; W44-I446 HydrophobicContact CB-CG1 4.07Å; W44-I446 HydrophobicContact CG-CG1 4.01Å; A362-I446 HydrophobicContact CB-CG2 4.47Å; A362-I446 WeakPolarHBondContact O-CG2 3.43Å; E365-I446 HydrophobicContact CB-CD1 4.02Å; E365-I446 HydrophobicContact CB-CG2 3.99Å; L366-I446 HydrophobicContact CD2-CG2 3.84Å; L366-I446 HydrophobicContact CG-CG2 4.14Å; N442-I446 HydrophobicContact CB-CD1 3.88Å; N442-I446 HydrophobicContact CB-CG1 4.24Å; N442-I446 VanDerWaalsContact O-CG1 3.31Å; N442-I446 WeakPolarHBondContact O-CG1 3.46Å; N442-I446 PolarHBondContact O-N 3.29Å; Y443-I446 PolarHBondContact O-N 3.13Å; I446-C448 VanDerWaalsContact C-N 3.35Å; I446-C448 PolarHBondContact O-N 3.26Å; I446-I449 PolarHBondContact O-N 3.46Å; I446-A450 WeakPolarHBondContact O-CB 3.26Å; I446-A450 PolarHBondContact O-N 3.44Å |
| 447 | L | 93.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.9 | 179.4 | 63.7 | 0 | 0 | 0 | 111.6 | L366 V417 F418 C421 V423 Y443 L445 I449 A450 I451 | L366-L447 HydrophobicContact CD2-CB 4.22Å; L366-L447 HydrophobicContact CD2-CD1 4.31Å; V417-L447 HydrophobicContact CG1-CD1 3.66Å; F418-L447 HydrophobicContact CD1-CD2 3.75Å; F418-L447 HydrophobicContact CE1-CD2 4.05Å; F418-L447 HydrophobicContact CG-CD2 4.2Å; C421-L447 HydrophobicContact CB-CB 3.98Å; C421-L447 HydrophobicContact CB-CD2 3.68Å; C421-L447 HydrophobicContact CB-CG 4.34Å; V423-L447 HydrophobicContact CG2-CD2 4.28Å; Y443-L447 WeakPolarHBondContact O-CB 3.21Å; Y443-L447 PolarHBondContact O-N 3.25Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 3.19Å; L447-I449 VanDerWaalsContact C-N 3.34Å; L447-I449 PolarHBondContact O-N 3.05Å; L447-A450 PolarHBondContact O-N 2.81Å; L447-I451 HydrophobicContact CD1-CD1 3.75Å; L447-I451 HydrophobicContact CD1-CG1 4.1Å; L447-I451 HydrophobicContact CD2-CD1 4.45Å; L447-I451 HydrophobicContact CG-CD1 3.82Å; L447-I451 HydrophobicContact CG-CG1 4.49Å; L447-I451 WeakPolarHBondContact O-CB 3.34Å; L447-I451 WeakPolarHBondContact O-CG1 3.4Å; L447-I451 PolarHBondContact O-N 3.17Å |
| 448 | C | 92.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 112 | T262 L266 V390 P444 L445 I446 K452 | T262-C448 HydrophobicContact CG2-CB 4.47Å; L266-C448 HydrophobicContact CD1-CB 3.93Å; L266-C448 HydrophobicContact CD2-CB 4.1Å; L266-C448 HydrophobicContact CG-CB 4.5Å; V390-C448 HydrophobicContact CG1-CB 3.62Å; V390-C448 HydrophobicContact CG2-CB 4.37Å; P444-C448 PolarHBondContact O-N 2.85Å; P444-C448 PolarHBondContact O-SG 3.37Å; L445-C448 WeakPolarHBondContact O-CB 3.39Å; L445-C448 PolarHBondContact O-N 2.94Å; L445-C448 VanDerWaalsContact O-N 3.17Å; I446-C448 VanDerWaalsContact C-N 3.35Å; I446-C448 PolarHBondContact O-N 3.26Å; C448-K452 WeakPolarHBondContact O-CB 3.39Å; C448-K452 PolarHBondContact O-N 2.93Å |
| 449 | I | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 177.7 | -65.4 | 165 | 0 | 0 | 0 | 110.5 | W44 L266 L269 F273 L358 A362 L445 I446 L447 S453 | W44-I449 HydrophobicContact CD2-CD1 3.77Å; W44-I449 HydrophobicContact CE3-CD1 3.86Å; W44-I449 HydrophobicContact CH2-CD1 3.86Å; W44-I449 HydrophobicContact CZ2-CD1 3.73Å; W44-I449 HydrophobicContact CZ2-CG2 4.35Å; W44-I449 HydrophobicContact CZ3-CD1 3.91Å; L266-I449 HydrophobicContact CD2-CG1 3.72Å; L269-I449 HydrophobicContact CD1-CD1 3.64Å; L269-I449 HydrophobicContact CD1-CG1 3.8Å; L269-I449 HydrophobicContact CD1-CG2 4.43Å; F273-I449 HydrophobicContact CE1-CG2 4.32Å; F273-I449 HydrophobicContact CZ-CG2 4.34Å; L358-I449 HydrophobicContact CD1-CG2 4.3Å; L358-I449 HydrophobicContact CD2-CG2 4.44Å; L358-I449 HydrophobicContact CG-CG2 4.16Å; A362-I449 HydrophobicContact CB-CB 4.2Å; A362-I449 HydrophobicContact CB-CG2 3.72Å; L445-I449 HydrophobicContact CD1-CD1 3.99Å; L445-I449 HydrophobicContact CD1-CG1 4.2Å; L445-I449 HydrophobicContact CG-CD1 3.88Å; L445-I449 HydrophobicContact CG-CG1 4.49Å; L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.44Å; L445-I449 PolarHBondContact O-N 2.82Å; I446-I449 PolarHBondContact O-N 3.46Å; L447-I449 VanDerWaalsContact C-N 3.34Å; L447-I449 PolarHBondContact O-N 3.05Å; I449-S453 VanDerWaalsContact O-CB 3.26Å; I449-S453 WeakPolarHBondContact O-CB 3.49Å; I449-S453 PolarHBondContact O-N 3.3Å; I449-S453 PolarHBondContact O-OG 2.77Å |
| 450 | A | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A362 L363 L366 I446 L447 K452 S453 L454 | A362-A450 HydrophobicContact CB-CB 4.19Å; L363-A450 HydrophobicContact CD2-CB 4.08Å; L366-A450 HydrophobicContact CD1-CB 3.95Å; I446-A450 WeakPolarHBondContact O-CB 3.26Å; I446-A450 PolarHBondContact O-N 3.44Å; L447-A450 PolarHBondContact O-N 2.81Å; A450-K452 PolarHBondContact O-N 3.25Å; A450-S453 WeakPolarHBondContact O-CB 3.47Å; A450-S453 PolarHBondContact O-N 3.37Å; A450-L454 WeakPolarHBondContact O-CG 3.48Å; A450-L454 PolarHBondContact O-N 3.39Å |
| 451 | I | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 178.7 | -70.7 | 171 | 0 | 0 | 0 | 110.8 | L386 V390 F418 L447 S453 L454 A455 | L386-I451 HydrophobicContact CB-CD1 4.35Å; L386-I451 HydrophobicContact CB-CG2 3.64Å; V390-I451 HydrophobicContact CG2-CB 3.99Å; V390-I451 HydrophobicContact CG2-CD1 3.78Å; V390-I451 HydrophobicContact CG2-CG1 4.49Å; V390-I451 HydrophobicContact CG2-CG2 3.83Å; F418-I451 HydrophobicContact CE1-CD1 3.74Å; F418-I451 HydrophobicContact CZ-CD1 4.14Å; L447-I451 HydrophobicContact CD1-CD1 3.75Å; L447-I451 HydrophobicContact CD1-CG1 4.1Å; L447-I451 HydrophobicContact CD2-CD1 4.45Å; L447-I451 HydrophobicContact CG-CD1 3.82Å; L447-I451 HydrophobicContact CG-CG1 4.49Å; L447-I451 WeakPolarHBondContact O-CB 3.34Å; L447-I451 WeakPolarHBondContact O-CG1 3.4Å; L447-I451 PolarHBondContact O-N 3.17Å; I451-S453 VanDerWaalsContact C-N 3.29Å; I451-S453 PolarHBondContact O-N 3.16Å; I451-L454 PolarHBondContact O-N 2.78Å; I451-A455 VanDerWaalsContact O-CB 3.31Å; I451-A455 WeakPolarHBondContact O-CB 3.3Å; I451-A455 PolarHBondContact O-N 3.13Å |
| 452 | K | 93.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 23 Ų | 23 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -34.1 | -177.9 | -161.2 | 164 | -174.5 | -87.2 | 0 | 112.1 | L266 F273 C448 A450 S456 | L266-K452 HydrophobicContact CD2-CD 4.34Å; F273-K452 HydrophobicContact CD1-CG 4.39Å; F273-K452 HydrophobicContact CD2-CD 4.08Å; F273-K452 HydrophobicContact CD2-CG 4.17Å; F273-K452 HydrophobicContact CE1-CB 4.21Å; F273-K452 HydrophobicContact CE1-CG 4.42Å; F273-K452 HydrophobicContact CE2-CD 3.85Å; F273-K452 HydrophobicContact CE2-CG 4.2Å; F273-K452 HydrophobicContact CG-CG 4.28Å; F273-K452 HydrophobicContact CZ-CB 4.25Å; F273-K452 HydrophobicContact CZ-CD 4.27Å; F273-K452 HydrophobicContact CZ-CG 4.32Å; C448-K452 WeakPolarHBondContact O-CB 3.39Å; C448-K452 PolarHBondContact O-N 2.93Å; A450-K452 PolarHBondContact O-N 3.25Å; K452-S456 WeakPolarHBondContact O-CB 3.31Å; K452-S456 PolarHBondContact O-N 2.96Å; K452-S456 PolarHBondContact O-OG 3.36Å |
| 453 | S | 95.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -48.3 | 173 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | F273 I449 A450 I451 S456 L457 | F273-S453 WeakPolarHBondContact CE1-OG 3.29Å; I449-S453 VanDerWaalsContact O-CB 3.26Å; I449-S453 WeakPolarHBondContact O-CB 3.49Å; I449-S453 PolarHBondContact O-N 3.3Å; I449-S453 PolarHBondContact O-OG 2.77Å; A450-S453 WeakPolarHBondContact O-CB 3.47Å; A450-S453 PolarHBondContact O-N 3.37Å; I451-S453 VanDerWaalsContact C-N 3.29Å; I451-S453 PolarHBondContact O-N 3.16Å; S453-S456 WeakPolarHBondContact O-CB 3.09Å; S453-S456 PolarHBondContact O-N 2.88Å; S453-L457 PolarHBondContact O-N 3.2Å |
| 454 | L | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 179 | -67.9 | 168 | 0 | 0 | 0 | 111.4 | L288 I291 M295 L363 L374 L383 A450 I451 S456 L457 A458 | L288-L454 HydrophobicContact CD1-CB 4.47Å; L288-L454 HydrophobicContact CD1-CD2 3.94Å; I291-L454 HydrophobicContact CG2-CD2 4.17Å; M295-L454 HydrophobicContact CE-CD1 4.17Å; M295-L454 HydrophobicContact SD-CD1 4.37Å; M295-L454 HydrophobicContact SD-CD2 4.32Å; L363-L454 HydrophobicContact CD2-CD1 4.29Å; L374-L454 HydrophobicContact CD2-CD1 4.06Å; L374-L454 HydrophobicContact CG-CD1 4.33Å; L383-L454 HydrophobicContact CD1-CB 4.27Å; L383-L454 HydrophobicContact CD2-CB 3.82Å; A450-L454 WeakPolarHBondContact O-CG 3.48Å; A450-L454 PolarHBondContact O-N 3.39Å; I451-L454 PolarHBondContact O-N 2.78Å; L454-S456 VanDerWaalsContact C-N 3.29Å; L454-S456 PolarHBondContact O-N 2.72Å; L454-L457 WeakPolarHBondContact O-CB 3.49Å; L454-L457 PolarHBondContact O-N 3.27Å; L454-L457 VanDerWaalsContact O-N 3.09Å; L454-A458 PolarHBondContact O-N 3.32Å |
| 455 | A | 94.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -37.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L383 E387 I451 L457 A458 C459 | L383-A455 HydrophobicContact CB-CB 4.47Å; E387-A455 HydrophobicContact CB-CB 3.93Å; E387-A455 HydrophobicContact CG-CB 4.27Å; I451-A455 VanDerWaalsContact O-CB 3.31Å; I451-A455 WeakPolarHBondContact O-CB 3.3Å; I451-A455 PolarHBondContact O-N 3.13Å; A455-L457 VanDerWaalsContact C-N 3.26Å; A455-L457 PolarHBondContact O-N 3.27Å; A455-A458 PolarHBondContact O-N 3.23Å; A455-C459 PolarHBondContact O-N 3.42Å |
| 456 | S | 94.3 | Very high | 88 | Confident | 11 Ų | 11 | 19 Ų | 19 | 8% | 0.077 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -32.9 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | S277 K452 S453 L454 | S277-S456 WeakPolarHBondContact CA-O 3.41Å; K452-S456 WeakPolarHBondContact O-CB 3.31Å; K452-S456 PolarHBondContact O-N 2.96Å; K452-S456 PolarHBondContact O-OG 3.36Å; S453-S456 WeakPolarHBondContact O-CB 3.09Å; S453-S456 PolarHBondContact O-N 2.88Å; L454-S456 VanDerWaalsContact C-N 3.29Å; L454-S456 PolarHBondContact O-N 2.72Å |
| 457 | L | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -79.3 | -18.5 | 173.3 | -67.6 | 171.8 | 0 | 0 | 0 | 113.2 | L276 R284 L287 L288 I291 S453 L454 A455 C461 | L276-L457 HydrophobicContact CB-CD2 4.09Å; L276-L457 HydrophobicContact CB-CG 4.42Å; L276-L457 HydrophobicContact CD2-CD2 4.12Å; R284-L457 HydrophobicContact CB-CD2 4.49Å; R284-L457 WeakPolarHBondContact CB-O 3.47Å; R284-L457 HydrophobicContact CG-CD2 4.43Å; L287-L457 HydrophobicContact CB-CD1 4.45Å; L287-L457 HydrophobicContact CB-CD2 4.17Å; L287-L457 HydrophobicContact CD1-CD2 4.05Å; L288-L457 HydrophobicContact CB-CB 4.12Å; L288-L457 HydrophobicContact CD1-CB 4.37Å; I291-L457 HydrophobicContact CD1-CD1 3.92Å; S453-L457 PolarHBondContact O-N 3.2Å; L454-L457 WeakPolarHBondContact O-CB 3.49Å; L454-L457 PolarHBondContact O-N 3.27Å; L454-L457 VanDerWaalsContact O-N 3.09Å; A455-L457 VanDerWaalsContact C-N 3.26Å; A455-L457 PolarHBondContact O-N 3.27Å; L457-C461 PolarHBondContact O-SG 2.8Å |
| 458 | A | 89.3 | Confident | 87.3 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -92.8 | -14 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L288 P380 L383 L454 A455 G460 C461 | L288-A458 HydrophobicContact CD2-CB 3.84Å; P380-A458 HydrophobicContact CB-CB 4.45Å; L383-A458 HydrophobicContact CB-CB 4.41Å; L383-A458 HydrophobicContact CD1-CB 3.67Å; L454-A458 PolarHBondContact O-N 3.32Å; A455-A458 PolarHBondContact O-N 3.23Å; A458-G460 PolarHBondContact O-N 3.39Å; A458-C461 WeakPolarHBondContact O-CB 3.2Å; A458-C461 PolarHBondContact O-N 2.95Å |
| 459 | C | 76.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 22.5 Ų | 22.5 | 53% | 0.527 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 104.6 | -171 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | R284 A455 | R284-C459 PolarHBondContact NH1-O 3.38Å; R284-C459 PolarHBondContact NH2-O 3.42Å; A455-C459 PolarHBondContact O-N 3.42Å |
| 460 | G | 59.5 | Low | 86.3 | Confident | 70 Ų | 70 | 24.4 Ų | 24.4 | 72% | 0.722 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 26.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R284 A458 | R284-G460 PolarHBondContact NH2-O 3.3Å; A458-G460 PolarHBondContact O-N 3.39Å |
| 461 | C | 52.2 | Low | 85.4 | Confident | 88 Ų | 88 | 26.6 Ų | 26.6 | 60% | 0.595 | 20% | 0.197 | S | C | * | . | trans | -92.4 | 0 | 168.1 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | S285 L457 A458 | S285-C461 WeakPolarHBondContact OG-CB 3.04Å; S285-C461 PolarHBondContact OG-SG 3.14Å; L457-C461 PolarHBondContact O-SG 2.8Å; A458-C461 WeakPolarHBondContact O-CB 3.2Å; A458-C461 PolarHBondContact O-N 2.95Å |
Retrieved 461 of 461 residues in 434.7 ms
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