| 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 | 51 | Low | 89 | Confident | 219 Ų | 219 | 42.1 Ų | 42.1 | 100% | 1.079 | 23% | 0.23 | S | C | * | . | 0 | 150.5 | 0 | -77.2 | 172.7 | -170.3 | 0 | 0 | 107.3 | |||||
| 2 | S | 65.3 | Low | 89.4 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 51% | 0.51 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -57.6 | 139.2 | 167.4 | 48 | 0 | 0 | 0 | 0 | 109 | I4 | S2-I4 PolarHBondContact O-N 2.83Š|
| 3 | E | 89.7 | Confident | 89.8 | Confident | 120 Ų | 120 | 40 Ų | 40 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -59.7 | 122.8 | 170.4 | -71.2 | -179.2 | 174.6 | 0 | 0 | 108.6 | N32 | E3-N32 HydrophobicContact CB-CB 4.45Š|
| 4 | I | 96.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -101.2 | 119.8 | 177 | -64.4 | 173.1 | 0 | 0 | 0 | 107.2 | S2 V6 R34 L171 L174 A214 S215 | S2-I4 PolarHBondContact O-N 2.83Å; I4-V6 HydrophobicContact CG2-CG2 4.43Å; I4-R34 HydrophobicContact CG2-CB 4.37Å; I4-L171 HydrophobicContact CD1-CD1 3.91Å; I4-L174 HydrophobicContact CD1-CD1 4.36Å; I4-A214 HydrophobicContact CB-CB 4.47Å; I4-A214 HydrophobicContact CG2-CB 4.29Å; I4-A214 CarbonylContact O-C 3.53Å; I4-A214 WeakPolarHBondContact O-CA 3.36Å; I4-A214 WeakPolarHBondContact O-CB 3.39Å; I4-S215 PolarHBondContact O-N 3.4Å; I4-S215 PolarHBondContact O-OG 3.02Å |
| 5 | V | 98.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.2 | 166.5 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | N32 V33 R34 R216 D218 | V5-N32 HydrophobicContact CB-CB 4.44Å; V5-N32 HydrophobicContact CG2-CB 3.76Å; V5-N32 PolarHBondContact N-O 3.43Å; V5-V33 HydrophobicContact CB-CG2 4.06Å; V5-V33 HydrophobicContact CG1-CG2 3.95Å; V5-R34 PolarHBondContact O-N 2.71Å; V5-R216 WeakPolarHBondContact CA-O 3.44Å; V5-R216 HydrophobicContact CG1-CB 4.38Å; V5-R216 HydrophobicContact CG2-CB 4.19Å; V5-D218 WeakPolarHBondContact CG1-OD2 3.48Å |
| 6 | V | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.2 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | I4 L35 V37 A205 A209 A214 R216 V217 D218 | I4-V6 HydrophobicContact CG2-CG2 4.43Å; V6-L35 WeakPolarHBondContact CA-O 3.34Å; V6-L35 HydrophobicContact CG1-CB 4.47Å; V6-L35 HydrophobicContact CG1-CD2 4.08Å; V6-L35 HydrophobicContact CG1-CG 4.29Å; V6-L35 HydrophobicContact CG2-CB 4.25Å; V6-L35 HydrophobicContact CG2-CD2 4.04Å; V6-V37 HydrophobicContact CG1-CG2 3.97Å; V6-A205 HydrophobicContact CG1-CB 4.13Å; V6-A209 HydrophobicContact CB-CB 4.21Å; V6-A209 HydrophobicContact CG2-CB 3.86Å; V6-A214 HydrophobicContact CG2-CB 3.88Å; V6-R216 PolarHBondContact N-O 2.85Å; V6-R216 VanDerWaalsContact N-O 3.08Å; V6-V217 CarbonylContact O-C 3.5Å; V6-V217 WeakPolarHBondContact O-CA 3.5Å; V6-D218 PolarHBondContact O-N 3.4Å |
| 7 | S | 98.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.6 | -178.4 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | V33 L35 V36 V37 D218 | S7-V33 WeakPolarHBondContact OG-CG1 3.39Å; S7-V33 WeakPolarHBondContact OG-CG2 3.48Å; S7-L35 PolarHBondContact N-O 2.88Å; S7-V36 CarbonylContact O-C 3.52Å; S7-V36 WeakPolarHBondContact O-CA 3.35Å; S7-V37 PolarHBondContact O-N 3.04Å; S7-D218 CarbonylContact C-O 3.51Å; S7-D218 WeakPolarHBondContact CA-O 3.43Å |
| 8 | K | 97.8 | Very high | 92 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.7 | 175.2 | -177.7 | -90 | 178 | 164 | 0 | 111.1 | V37 S39 D202 A205 D218 I219 W220 | K8-V37 CarbonylContact C-O 3.59Å; K8-V37 WeakPolarHBondContact CA-O 3.4Å; K8-V37 HydrophobicContact CB-CB 4.25Å; K8-V37 HydrophobicContact CG-CB 4.3Å; K8-V37 HydrophobicContact CG-CG1 4.34Å; K8-S39 WeakPolarHBondContact CE-OG 3.36Å; K8-D202 WeakPolarHBondContact CD-OD1 3.23Å; K8-D202 WeakPolarHBondContact CE-OD1 3.19Å; K8-D202 IonicContact NZ-OD1 3.74Å; K8-D202 PolarHBondContact NZ-OD1 3.11Å; K8-A205 HydrophobicContact CB-CB 3.75Å; K8-A205 HydrophobicContact CG-CB 4.26Å; K8-D218 PolarHBondContact N-O 3.14Å; K8-I219 HydrophobicContact CB-CD1 3.77Å; K8-I219 HydrophobicContact CD-CD1 4.26Å; K8-I219 HydrophobicContact CD-CG2 4.06Å; K8-I219 HydrophobicContact CG-CD1 4.35Å; K8-W220 WeakPolarHBondContact O-CB 3.26Å; K8-W220 PolarHBondContact O-N 3.18Å |
| 9 | F | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | 173.9 | -65.5 | -91.1 | 0 | 0 | 0 | 110.7 | V14 S23 I26 V27 V36 V37 L38 S39 W220 | F9-V14 HydrophobicContact CB-CG1 4.2Å; F9-S23 VanDerWaalsContact CD1-CB 3.49Å; F9-S23 VanDerWaalsContact CD1-OG 3.26Å; F9-S23 WeakPolarHBondContact CD1-OG 3.2Å; F9-I26 HydrophobicContact CE1-CB 4.26Å; F9-I26 HydrophobicContact CE1-CD1 4.23Å; F9-I26 HydrophobicContact CE1-CG2 4.17Å; F9-I26 HydrophobicContact CZ-CB 4.22Å; F9-I26 HydrophobicContact CZ-CG2 3.98Å; F9-V27 HydrophobicContact CE2-CG2 3.46Å; F9-V27 VanDerWaalsContact CE2-CG2 3.46Å; F9-V27 HydrophobicContact CZ-CG2 3.62Å; F9-V36 HydrophobicContact CD2-CG1 3.72Å; F9-V36 HydrophobicContact CE2-CG1 3.84Å; F9-V37 PolarHBondContact N-O 3.13Å; F9-L38 HydrophobicContact CB-CD2 3.76Å; F9-L38 HydrophobicContact CD2-CD2 3.85Å; F9-L38 HydrophobicContact CG-CD2 4.19Å; F9-S39 PolarHBondContact O-N 3.13Å; F9-S39 VanDerWaalsContact O-N 3.15Å; F9-W220 HydrophobicContact CD1-CB 3.47Å; F9-W220 VanDerWaalsContact CD1-CB 3.47Å; F9-W220 AromaticContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CE1-CB 3.62Å; F9-W220 AromaticContact CE1-CD1 3.49Å; F9-W220 VanDerWaalsContact CE1-CD1 3.49Å; F9-W220 HydrophobicContact CE1-CD2 4.27Å; F9-W220 AromaticContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CE1-CG 3.49Å; F9-W220 VanDerWaalsContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CG-CB 4.23Å; F9-W220 HydrophobicContact CZ-CB 4.46Å; F9-W220 AromaticContact CZ-CD1 3.48Å; F9-W220 VanDerWaalsContact CZ-CD1 3.48Å; F9-W220 AromaticContact CZ-CG 3.98Å; F9-W220 HydrophobicContact CZ-CG 3.98Å; F9-W220 AromaticContact CZ-NE1 3.95Å |
| 10 | G | 93 | Very high | 92.6 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | trans | -71.5 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T12 S13 V14 W220 | G10-T12 PolarHBondContact O-N 2.83Å; G10-T12 VanDerWaalsContact O-N 3.14Å; G10-S13 WeakPolarHBondContact O-CA 3.2Å; G10-S13 VanDerWaalsContact O-CB 3.26Å; G10-S13 WeakPolarHBondContact O-CB 3.46Å; G10-S13 PolarHBondContact O-N 2.99Å; G10-V14 PolarHBondContact O-N 3.02Å; G10-W220 PolarHBondContact N-O 3.31Å; G10-W220 VanDerWaalsContact N-O 3.1Å | ||
| 11 | G | 93.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -59.5 | -30.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S13 V14 A15 A40 A42 | G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 2.91Å; G11-V14 CarbonylContact O-C 3.55Å; G11-V14 PolarHBondContact O-N 2.9Å; G11-A15 WeakPolarHBondContact O-CA 3.48Å; G11-A15 PolarHBondContact O-N 3.13Å; G11-A40 WeakPolarHBondContact CA-O 3.42Å; G11-A42 PolarHBondContact O-N 3.42Å |
| 12 | T | 93.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 29 Ų | 29 | 35% | 0.35 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -69.8 | -26.4 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | G10 V14 | G10-T12 PolarHBondContact O-N 2.83Å; G10-T12 VanDerWaalsContact O-N 3.14Å; T12-V14 VanDerWaalsContact C-N 3.31Å |
| 13 | S | 95.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -79.9 | -15 | 175.5 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | G10 G11 A19 S23 W220 S279 | G10-S13 WeakPolarHBondContact O-CA 3.2Å; G10-S13 VanDerWaalsContact O-CB 3.26Å; G10-S13 WeakPolarHBondContact O-CB 3.46Å; G10-S13 PolarHBondContact O-N 2.99Å; G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 2.91Å; S13-A19 CarbonylContact O-C 3.43Å; S13-A19 WeakPolarHBondContact O-CB 3.41Å; S13-S23 PolarHBondContact O-OG 3.48Å; S13-W220 PolarHBondContact OG-O 3.41Å; S13-S279 VanDerWaalsContact CB-OG 3.23Å; S13-S279 WeakPolarHBondContact CB-OG 3.49Å; S13-S279 WeakPolarHBondContact OG-CB 3.38Å; S13-S279 PolarHBondContact OG-OG 3.46Å |
| 14 | V | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -127.5 | 28.7 | 176.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | F9 G10 G11 T12 D16 M20 L38 S39 S41 | F9-V14 HydrophobicContact CB-CG1 4.2Å; G10-V14 PolarHBondContact O-N 3.02Å; G11-V14 CarbonylContact O-C 3.55Å; G11-V14 PolarHBondContact O-N 2.9Å; T12-V14 VanDerWaalsContact C-N 3.31Å; V14-D16 PolarHBondContact O-N 3.43Å; V14-M20 HydrophobicContact CB-CE 4.02Å; V14-M20 HydrophobicContact CB-CG 4.02Å; V14-M20 HydrophobicContact CG1-CG 4.19Å; V14-L38 HydrophobicContact CG1-CD1 4.29Å; V14-L38 HydrophobicContact CG1-CD2 4.01Å; V14-S39 WeakPolarHBondContact CG2-O 3.45Å; V14-S41 WeakPolarHBondContact O-CA 3.21Å; V14-S41 VanDerWaalsContact O-CB 3.23Å; V14-S41 WeakPolarHBondContact O-CB 3.27Å; V14-S41 PolarHBondContact O-OG 2.85Å |
| 15 | A | 96.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -66.6 | -37.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G11 A19 A42 | G11-A15 WeakPolarHBondContact O-CA 3.48Å; G11-A15 PolarHBondContact O-N 3.13Å; A15-A19 HydrophobicContact CB-CB 4.41Å; A15-A42 HydrophobicContact CB-CB 3.65Å |
| 16 | D | 98.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 23.9 Ų | 23.9 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -150.3 | 177 | -175.2 | 57.5 | 50.5 | 0 | 0 | 0 | 110.1 | V14 D18 A19 M20 | V14-D16 PolarHBondContact O-N 3.43Å; D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 3.5Å; D16-D18 WeakPolarHBondContact OD1-CA 3.4Å; D16-D18 WeakPolarHBondContact OD1-CB 3.33Å; D16-D18 PolarHBondContact OD1-N 2.71Å; D16-A19 PolarHBondContact O-N 2.94Å; D16-A19 WeakPolarHBondContact OD1-CB 3.43Å; D16-A19 PolarHBondContact OD1-N 2.96Å; D16-M20 WeakPolarHBondContact O-CG 3.07Å; D16-M20 PolarHBondContact O-N 3.13Å |
| 17 | F | 98.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 13% | 0.132 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -39.2 | 179.4 | -179.9 | -88.5 | 0 | 0 | 0 | 112.7 | M20 N21 I74 R77 L78 I129 | F17-M20 PolarHBondContact O-N 3.34Å; F17-N21 VanDerWaalsContact CD1-ND2 3.29Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.47Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.16Å; F17-N21 VanDerWaalsContact CZ-ND2 3.28Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.26Å; F17-N21 WeakPolarHBondContact O-CB 3.39Å; F17-N21 PolarHBondContact O-N 2.82Å; F17-N21 PolarHBondContact O-ND2 3.39Å; F17-I74 HydrophobicContact CB-CG2 4.4Å; F17-R77 HydrophobicContact CB-CB 4.05Å; F17-R77 HydrophobicContact CD1-CB 4.13Å; F17-R77 VanDerWaalsContact CD1-NH2 3.3Å; F17-R77 HydrophobicContact CD2-CB 3.51Å; F17-R77 HydrophobicContact CE1-CB 4.45Å; F17-R77 HydrophobicContact CE2-CB 3.9Å; F17-R77 WeakPolarHBondContact CE2-O 3.4Å; F17-R77 HydrophobicContact CG-CB 3.63Å; F17-R77 HydrophobicContact CZ-CB 4.34Å; F17-R77 WeakPolarHBondContact CZ-O 3.29Å; F17-L78 HydrophobicContact CE2-CD2 4.14Å; F17-I129 HydrophobicContact CD2-CD1 4.22Å; F17-I129 HydrophobicContact CE2-CD1 4.5Å; F17-I129 HydrophobicContact CE2-CG1 4.37Å |
| 18 | D | 98.1 | Very high | 97 | Very high | 69 Ų | 69 | 27.8 Ų | 27.8 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.9 | -38.1 | -178.5 | -62.5 | -48.8 | 0 | 0 | 0 | 111.4 | D16 N21 R22 R77 | D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 3.5Å; D16-D18 WeakPolarHBondContact OD1-CA 3.4Å; D16-D18 WeakPolarHBondContact OD1-CB 3.33Å; D16-D18 PolarHBondContact OD1-N 2.71Å; D18-N21 PolarHBondContact O-N 3.07Å; D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.96Å; D18-R22 PolarHBondContact O-NH1 3.22Å; D18-R77 VanDerWaalsContact CG-NH1 3.31Å; D18-R77 IonicContact OD1-CZ 3.65Å; D18-R77 IonicContact OD1-NH1 3.36Å; D18-R77 PolarHBondContact OD1-NH1 3.04Å; D18-R77 IonicContact OD1-NH2 3.38Å; D18-R77 PolarHBondContact OD1-NH2 2.88Å; D18-R77 IonicContact OD2-CZ 3.64Å; D18-R77 IonicContact OD2-NH1 2.63Å; D18-R77 PolarHBondContact OD2-NH1 2.71Å; D18-R77 IonicContact OD2-NH2 2.81Å; D18-R77 PolarHBondContact OD2-NH2 3.13Å |
| 19 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S13 A15 D16 N21 R22 S23 | S13-A19 CarbonylContact O-C 3.43Å; S13-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 HydrophobicContact CB-CB 4.41Å; D16-A19 PolarHBondContact O-N 2.94Å; D16-A19 WeakPolarHBondContact OD1-CB 3.43Å; D16-A19 PolarHBondContact OD1-N 2.96Å; A19-N21 VanDerWaalsContact C-N 3.33Å; A19-N21 PolarHBondContact O-N 3.06Å; A19-R22 VanDerWaalsContact CA-NH2 3.27Å; A19-R22 PolarHBondContact O-N 3.33Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.01Å; A19-S23 VanDerWaalsContact O-OG 3.11Å |
| 20 | M | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 175 | -71.5 | -174.6 | 173.5 | 0 | 0 | 111.8 | V14 D16 F17 S23 A24 I74 L125 F126 I129 | V14-M20 HydrophobicContact CB-CE 4.02Å; V14-M20 HydrophobicContact CB-CG 4.02Å; V14-M20 HydrophobicContact CG1-CG 4.19Å; D16-M20 WeakPolarHBondContact O-CG 3.07Å; D16-M20 PolarHBondContact O-N 3.13Å; F17-M20 PolarHBondContact O-N 3.34Å; M20-S23 PolarHBondContact O-N 3.02Å; M20-A24 WeakPolarHBondContact O-CB 3.28Å; M20-A24 PolarHBondContact O-N 2.78Å; M20-I74 HydrophobicContact CE-CD1 3.78Å; M20-I74 HydrophobicContact CE-CG2 4.46Å; M20-I74 HydrophobicContact SD-CD1 4.25Å; M20-I74 HydrophobicContact SD-CG2 3.77Å; M20-L125 HydrophobicContact CE-CB 4.22Å; M20-L125 HydrophobicContact SD-CB 4.24Å; M20-F126 HydrophobicContact CB-CD2 3.88Å; M20-F126 HydrophobicContact CB-CE2 4.22Å; M20-F126 HydrophobicContact CG-CD2 3.99Å; M20-F126 VanDerWaalsContact O-CE2 3.28Å; M20-F126 WeakPolarHBondContact O-CE2 3.33Å; M20-F126 HydrophobicContact SD-CD2 4.42Å; M20-I129 HydrophobicContact CB-CD1 3.38Å; M20-I129 HydrophobicContact CG-CD1 4.12Å; M20-I129 HydrophobicContact SD-CD1 3.61Å |
| 21 | N | 98.2 | Very high | 97 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.16 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.9 | -86.3 | -88.5 | 0 | 0 | 0 | 112.4 | F17 D18 A19 S23 A24 D25 R133 | F17-N21 VanDerWaalsContact CD1-ND2 3.29Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.47Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.16Å; F17-N21 VanDerWaalsContact CZ-ND2 3.28Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.26Å; F17-N21 WeakPolarHBondContact O-CB 3.39Å; F17-N21 PolarHBondContact O-N 2.82Å; F17-N21 PolarHBondContact O-ND2 3.39Å; D18-N21 PolarHBondContact O-N 3.07Å; A19-N21 VanDerWaalsContact C-N 3.33Å; A19-N21 PolarHBondContact O-N 3.06Å; N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.43Å; N21-A24 WeakPolarHBondContact O-CB 3.38Å; N21-A24 PolarHBondContact O-N 2.88Å; N21-D25 VanDerWaalsContact O-CG 3.25Å; N21-D25 PolarHBondContact O-N 2.65Å; N21-R133 VanDerWaalsContact CB-NH2 3.31Å; N21-R133 PolarHBondContact O-NH2 2.84Å; N21-R133 VanDerWaalsContact O-NH2 3.11Å; N21-R133 PolarHBondContact OD1-NE 3.33Å; N21-R133 PolarHBondContact OD1-NH2 3.04Å |
| 22 | R | 97.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.7 | -43 | 172.7 | -71.8 | -172.2 | -60.2 | -85.6 | 2.8 | 111.9 | D18 A19 A24 D25 I26 | D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.96Å; D18-R22 PolarHBondContact O-NH1 3.22Å; A19-R22 VanDerWaalsContact CA-NH2 3.27Å; A19-R22 PolarHBondContact O-N 3.33Å; R22-A24 VanDerWaalsContact C-N 3.33Å; R22-A24 PolarHBondContact O-N 2.99Å; R22-D25 WeakPolarHBondContact O-CB 3.49Å; R22-D25 PolarHBondContact O-N 3.25Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 3.2Å; R22-I26 VanDerWaalsContact O-N 3.13Å |
| 23 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | 176.7 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | F9 S13 A19 M20 N21 I26 V27 | F9-S23 VanDerWaalsContact CD1-CB 3.49Å; F9-S23 VanDerWaalsContact CD1-OG 3.26Å; F9-S23 WeakPolarHBondContact CD1-OG 3.2Å; S13-S23 PolarHBondContact O-OG 3.48Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.01Å; A19-S23 VanDerWaalsContact O-OG 3.11Å; M20-S23 PolarHBondContact O-N 3.02Å; N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.43Å; S23-I26 WeakPolarHBondContact O-CB 3.46Å; S23-I26 PolarHBondContact O-N 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 3.3Å |
| 24 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M20 N21 R22 I26 V27 L28 F126 I129 L130 | M20-A24 WeakPolarHBondContact O-CB 3.28Å; M20-A24 PolarHBondContact O-N 2.78Å; N21-A24 WeakPolarHBondContact O-CB 3.38Å; N21-A24 PolarHBondContact O-N 2.88Å; R22-A24 VanDerWaalsContact C-N 3.33Å; R22-A24 PolarHBondContact O-N 2.99Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.43Å; A24-V27 PolarHBondContact O-N 3.39Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.22Å; A24-L28 WeakPolarHBondContact O-CG 3.23Å; A24-L28 PolarHBondContact O-N 3.26Å; A24-F126 HydrophobicContact CB-CE2 4.34Å; A24-F126 HydrophobicContact CB-CZ 4.12Å; A24-I129 HydrophobicContact CB-CG2 4.3Å; A24-L130 HydrophobicContact CB-CD2 3.89Å |
| 25 | D | 98.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 40.3 Ų | 40.3 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -40.5 | 174.5 | -62.5 | -28.4 | 0 | 0 | 0 | 111.6 | N21 R22 L28 S29 R133 | N21-D25 VanDerWaalsContact O-CG 3.25Å; N21-D25 PolarHBondContact O-N 2.65Å; R22-D25 WeakPolarHBondContact O-CB 3.49Å; R22-D25 PolarHBondContact O-N 3.25Å; D25-L28 PolarHBondContact O-N 2.92Å; D25-S29 WeakPolarHBondContact O-CB 3.35Å; D25-S29 PolarHBondContact O-N 3.04Å; D25-S29 VanDerWaalsContact O-N 3.1Å; D25-R133 IonicContact OD1-CZ 2.94Å; D25-R133 IonicContact OD1-NH1 3.23Å; D25-R133 PolarHBondContact OD1-NH1 3.38Å; D25-R133 IonicContact OD1-NH2 3.79Å; D25-R133 PolarHBondContact OD1-NH2 3.42Å |
| 26 | I | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -50.4 | 176.8 | -67.3 | 166.4 | 0 | 0 | 0 | 110.7 | F9 R22 S23 A24 L28 S29 W220 P282 | F9-I26 HydrophobicContact CE1-CB 4.26Å; F9-I26 HydrophobicContact CE1-CD1 4.23Å; F9-I26 HydrophobicContact CE1-CG2 4.17Å; F9-I26 HydrophobicContact CZ-CB 4.22Å; F9-I26 HydrophobicContact CZ-CG2 3.98Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 3.2Å; R22-I26 VanDerWaalsContact O-N 3.13Å; S23-I26 WeakPolarHBondContact O-CB 3.46Å; S23-I26 PolarHBondContact O-N 3.31Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.43Å; I26-L28 PolarHBondContact O-N 3.04Å; I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.47Å; I26-W220 HydrophobicContact CD1-CD2 4.37Å; I26-W220 HydrophobicContact CD1-CE3 4.11Å; I26-W220 HydrophobicContact CD1-CZ3 4.31Å; I26-W220 HydrophobicContact CG2-CD2 3.92Å; I26-W220 HydrophobicContact CG2-CE3 4.39Å; I26-W220 HydrophobicContact CG2-CH2 3.86Å; I26-W220 HydrophobicContact CG2-CZ2 3.34Å; I26-W220 HydrophobicContact CG2-CZ3 4.36Å; I26-P282 HydrophobicContact CD1-CB 3.85Å; I26-P282 HydrophobicContact CD1-CG 4.02Å; I26-P282 HydrophobicContact CG1-CB 3.78Å; I26-P282 HydrophobicContact CG1-CG 3.87Å |
| 27 | V | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.9 | -41.7 | 178 | 171 | 0 | 0 | 0 | 0 | 111.5 | F9 S23 A24 S29 V33 V36 F126 L178 | F9-V27 HydrophobicContact CE2-CG2 3.46Å; F9-V27 VanDerWaalsContact CE2-CG2 3.46Å; F9-V27 HydrophobicContact CZ-CG2 3.62Å; S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 3.3Å; A24-V27 PolarHBondContact O-N 3.39Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 2.74Å; V27-V33 HydrophobicContact CG1-CG1 4.01Å; V27-V36 HydrophobicContact CB-CG2 4.48Å; V27-V36 HydrophobicContact CG1-CG2 3.84Å; V27-V36 HydrophobicContact CG2-CG1 4.33Å; V27-V36 HydrophobicContact CG2-CG2 3.7Å; V27-F126 HydrophobicContact CG2-CZ 4.45Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 3.55Å; V27-L178 HydrophobicContact CG1-CG 4.36Å |
| 28 | L | 97.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 41% | 0.414 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -79.1 | -11.9 | -177.7 | -61.9 | 173.4 | 0 | 0 | 0 | 113.7 | A24 D25 I26 L130 V135 | A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.22Å; A24-L28 WeakPolarHBondContact O-CG 3.23Å; A24-L28 PolarHBondContact O-N 3.26Å; D25-L28 PolarHBondContact O-N 2.92Å; I26-L28 PolarHBondContact O-N 3.04Å; L28-L130 HydrophobicContact CD1-CD2 4.36Å; L28-L130 HydrophobicContact CD2-CD2 4.35Å; L28-L130 HydrophobicContact CG-CD2 4.36Å; L28-V135 HydrophobicContact CD1-CG2 3.83Å; L28-V135 HydrophobicContact CD2-CB 4.37Å; L28-V135 HydrophobicContact CD2-CG1 3.93Å; L28-V135 HydrophobicContact CD2-CG2 3.51Å; L28-V135 HydrophobicContact CG-CG2 4.31Å |
| 29 | S | 96.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 31.9 Ų | 31.9 | 68% | 0.678 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -79.1 | -18.6 | 177.7 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | D25 I26 V27 | D25-S29 WeakPolarHBondContact O-CB 3.35Å; D25-S29 PolarHBondContact O-N 3.04Å; D25-S29 VanDerWaalsContact O-N 3.1Å; I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.47Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 2.74Å |
| 30 | D | 95.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 32 Ų | 32 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | trans | -126.9 | 106.5 | 179.6 | -175.8 | -9.1 | 0 | 0 | 0 | 110.4 | N32 V33 R216 | D30-N32 PolarHBondContact O-N 3Å; D30-N32 WeakPolarHBondContact OD1-CB 3.4Å; D30-N32 PolarHBondContact OD1-N 3.42Å; D30-V33 HydrophobicContact CB-CG2 3.83Å; D30-V33 WeakPolarHBondContact O-CB 3.32Å; D30-V33 PolarHBondContact O-N 3.01Å; D30-R216 IonicContact OD2-CZ 3.7Å; D30-R216 IonicContact OD2-NH2 2.71Å; D30-R216 PolarHBondContact OD2-NH2 2.69Å | ||
| 31 | A | 94.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 32 Ų | 32 | 74% | 0.744 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | V33 | A31-V33 VanDerWaalsContact C-N 3.27Š|
| 32 | N | 96.5 | Very high | 97.4 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16 | 174 | -63.8 | -35.6 | 0 | 0 | 0 | 111.7 | E3 V5 D30 R34 | E3-N32 HydrophobicContact CB-CB 4.45Å; V5-N32 HydrophobicContact CB-CB 4.44Å; V5-N32 HydrophobicContact CG2-CB 3.76Å; V5-N32 PolarHBondContact N-O 3.43Å; D30-N32 PolarHBondContact O-N 3Å; D30-N32 WeakPolarHBondContact OD1-CB 3.4Å; D30-N32 PolarHBondContact OD1-N 3.42Å; N32-R34 PolarHBondContact O-N 3Å |
| 33 | V | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 104.7 | 172 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | V5 S7 V27 D30 A31 V36 L178 | V5-V33 HydrophobicContact CB-CG2 4.06Å; V5-V33 HydrophobicContact CG1-CG2 3.95Å; S7-V33 WeakPolarHBondContact OG-CG1 3.39Å; S7-V33 WeakPolarHBondContact OG-CG2 3.48Å; V27-V33 HydrophobicContact CG1-CG1 4.01Å; D30-V33 HydrophobicContact CB-CG2 3.83Å; D30-V33 WeakPolarHBondContact O-CB 3.32Å; D30-V33 PolarHBondContact O-N 3.01Å; A31-V33 VanDerWaalsContact C-N 3.27Å; V33-V36 HydrophobicContact CG1-CG2 4.01Å; V33-L178 WeakPolarHBondContact O-CD1 3.3Å |
| 34 | R | 97.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -24.8 | 179.9 | -59.9 | -57.2 | -63.3 | -176.5 | -5.9 | 113 | I4 V5 N32 L174 G177 V179 | I4-R34 HydrophobicContact CG2-CB 4.37Å; V5-R34 PolarHBondContact O-N 2.71Å; N32-R34 PolarHBondContact O-N 3Å; R34-L174 HydrophobicContact CB-CB 4.5Å; R34-L174 HydrophobicContact CB-CD2 3.98Å; R34-L174 VanDerWaalsContact CZ-O 3.31Å; R34-L174 PolarHBondContact NE-O 3.08Å; R34-L174 PolarHBondContact NH2-O 3.22Å; R34-L174 WeakPolarHBondContact O-CD2 3.29Å; R34-G177 VanDerWaalsContact NH2-N 3.2Å; R34-G177 PolarHBondContact NH2-O 3.49Å; R34-V179 PolarHBondContact O-N 2.9Å |
| 35 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.9 | -179.5 | -176.9 | 63.4 | 0 | 0 | 0 | 110.2 | V6 S7 L170 L174 V179 T181 L208 L212 | V6-L35 WeakPolarHBondContact CA-O 3.34Å; V6-L35 HydrophobicContact CG1-CB 4.47Å; V6-L35 HydrophobicContact CG1-CD2 4.08Å; V6-L35 HydrophobicContact CG1-CG 4.29Å; V6-L35 HydrophobicContact CG2-CB 4.25Å; V6-L35 HydrophobicContact CG2-CD2 4.04Å; S7-L35 PolarHBondContact N-O 2.88Å; L35-L170 HydrophobicContact CD1-CD1 4.22Å; L35-L170 HydrophobicContact CD1-CD2 4.4Å; L35-L170 HydrophobicContact CD2-CD2 4.11Å; L35-L174 HydrophobicContact CB-CD2 3.86Å; L35-L174 HydrophobicContact CD1-CD2 4.23Å; L35-V179 CarbonylContact C-O 3.56Å; L35-V179 WeakPolarHBondContact CA-O 3.13Å; L35-V179 HydrophobicContact CD1-CB 3.96Å; L35-V179 HydrophobicContact CD1-CG1 3.88Å; L35-T181 HydrophobicContact CD1-CG2 3.75Å; L35-T181 HydrophobicContact CG-CG2 4.37Å; L35-L208 HydrophobicContact CD2-CB 3.86Å; L35-L208 HydrophobicContact CD2-CD1 4.06Å; L35-L208 HydrophobicContact CD2-CG 4.43Å; L35-L212 HydrophobicContact CD2-CD1 3.6Å |
| 36 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.3 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 110 | S7 F9 V27 V33 L38 F126 L178 V179 I180 T181 | S7-V36 CarbonylContact O-C 3.52Å; S7-V36 WeakPolarHBondContact O-CA 3.35Å; F9-V36 HydrophobicContact CD2-CG1 3.72Å; F9-V36 HydrophobicContact CE2-CG1 3.84Å; V27-V36 HydrophobicContact CB-CG2 4.48Å; V27-V36 HydrophobicContact CG1-CG2 3.84Å; V27-V36 HydrophobicContact CG2-CG1 4.33Å; V27-V36 HydrophobicContact CG2-CG2 3.7Å; V33-V36 HydrophobicContact CG1-CG2 4.01Å; V36-L38 HydrophobicContact CG1-CD2 3.57Å; V36-L38 HydrophobicContact CG1-CG 4.28Å; V36-F126 HydrophobicContact CG1-CE1 4.2Å; V36-L178 HydrophobicContact CG2-CD1 3.88Å; V36-V179 PolarHBondContact N-O 3.12Å; V36-I180 HydrophobicContact CB-CD1 3.57Å; V36-I180 HydrophobicContact CG1-CD1 4.26Å; V36-I180 HydrophobicContact CG2-CD1 3.74Å; V36-I180 WeakPolarHBondContact O-CA 3.33Å; V36-T181 PolarHBondContact O-N 3.38Å |
| 37 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.1 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 109 | V6 S7 K8 F9 T181 G183 T204 A205 L208 | V6-V37 HydrophobicContact CG1-CG2 3.97Å; S7-V37 PolarHBondContact O-N 3.04Å; K8-V37 CarbonylContact C-O 3.59Å; K8-V37 WeakPolarHBondContact CA-O 3.4Å; K8-V37 HydrophobicContact CB-CB 4.25Å; K8-V37 HydrophobicContact CG-CB 4.3Å; K8-V37 HydrophobicContact CG-CG1 4.34Å; F9-V37 PolarHBondContact N-O 3.13Å; V37-T181 WeakPolarHBondContact CA-O 3.48Å; V37-T181 HydrophobicContact CG2-CG2 3.83Å; V37-G183 VanDerWaalsContact CG1-CA 3.42Å; V37-T204 HydrophobicContact CG1-CG2 4.04Å; V37-A205 HydrophobicContact CB-CB 4.35Å; V37-A205 HydrophobicContact CG2-CB 4.18Å; V37-L208 HydrophobicContact CG2-CD1 3.98Å |
| 38 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.7 | 179 | -51.2 | -176.9 | 0 | 0 | 0 | 111.9 | F9 V14 V36 T123 F126 I180 T181 G183 | F9-L38 HydrophobicContact CB-CD2 3.76Å; F9-L38 HydrophobicContact CD2-CD2 3.85Å; F9-L38 HydrophobicContact CG-CD2 4.19Å; V14-L38 HydrophobicContact CG1-CD1 4.29Å; V14-L38 HydrophobicContact CG1-CD2 4.01Å; V36-L38 HydrophobicContact CG1-CD2 3.57Å; V36-L38 HydrophobicContact CG1-CG 4.28Å; L38-T123 HydrophobicContact CB-CG2 3.75Å; L38-T123 HydrophobicContact CD1-CG2 3.96Å; L38-T123 HydrophobicContact CG-CG2 4Å; L38-F126 HydrophobicContact CD1-CB 3.39Å; L38-F126 HydrophobicContact CD1-CD1 3.82Å; L38-F126 HydrophobicContact CD1-CD2 4.04Å; L38-F126 HydrophobicContact CD1-CG 3.49Å; L38-F126 VanDerWaalsContact CD1-CG 3.49Å; L38-I180 HydrophobicContact CD1-CG2 4Å; L38-I180 HydrophobicContact CG-CG2 4.27Å; L38-T181 PolarHBondContact N-O 2.76Å; L38-G183 PolarHBondContact O-N 3.04Å |
| 39 | S | 97 | Very high | 96.7 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 169.1 | 159.4 | -60 | 0 | 0 | 0 | 0 | 111 | K8 F9 V14 S122 S201 | K8-S39 WeakPolarHBondContact CE-OG 3.36Å; F9-S39 PolarHBondContact O-N 3.13Å; F9-S39 VanDerWaalsContact O-N 3.15Å; V14-S39 WeakPolarHBondContact CG2-O 3.45Å; S39-S122 WeakPolarHBondContact O-CB 3.27Å; S39-S122 PolarHBondContact O-OG 3.38Å; S39-S201 WeakPolarHBondContact OG-CB 3.36Å; S39-S201 PolarHBondContact OG-OG 2.93Å |
| 40 | A | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 152.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G11 I44 T45 G118 E119 | G11-A40 WeakPolarHBondContact CA-O 3.42Å; A40-I44 HydrophobicContact CB-CB 4.21Å; A40-I44 HydrophobicContact CB-CG2 4.21Å; A40-T45 WeakPolarHBondContact CB-OG1 3.44Å; A40-G118 VanDerWaalsContact CB-C 3.46Å; A40-E119 PolarHBondContact N-OE1 2.72Å |
| 41 | S | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 147.9 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | V14 G43 I44 | V14-S41 WeakPolarHBondContact O-CA 3.21Å; V14-S41 VanDerWaalsContact O-CB 3.23Å; V14-S41 WeakPolarHBondContact O-CB 3.27Å; V14-S41 PolarHBondContact O-OG 2.85Å; S41-G43 PolarHBondContact O-N 3.26Å; S41-I44 VanDerWaalsContact O-CB 3.27Å; S41-I44 WeakPolarHBondContact O-CB 3.11Å; S41-I44 WeakPolarHBondContact O-CG1 3.49Å; S41-I44 PolarHBondContact O-N 3.2Å |
| 42 | A | 94.5 | Very high | 96.9 | Very high | 42 Ų | 42 | 23.6 Ų | 23.6 | 35% | 0.347 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 128.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G11 A15 I44 | G11-A42 PolarHBondContact O-N 3.42Å; A15-A42 HydrophobicContact CB-CB 3.65Å; A42-I44 VanDerWaalsContact C-N 3.27Å; A42-I44 PolarHBondContact O-N 2.9Å |
| 43 | G | 93.7 | Very high | 96.8 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -22 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S41 T45 N46 L47 | S41-G43 PolarHBondContact O-N 3.26Å; G43-T45 PolarHBondContact O-N 3.16Å; G43-N46 PolarHBondContact O-N 3.44Å; G43-L47 WeakPolarHBondContact O-CG 3.49Å; G43-L47 PolarHBondContact O-N 3.41Å; G43-L47 VanDerWaalsContact O-N 3.17Å |
| 44 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | -176.1 | -66.3 | -66.9 | 0 | 0 | 0 | 112 | A40 S41 A42 N46 L47 L48 I67 I70 | A40-I44 HydrophobicContact CB-CB 4.21Å; A40-I44 HydrophobicContact CB-CG2 4.21Å; S41-I44 VanDerWaalsContact O-CB 3.27Å; S41-I44 WeakPolarHBondContact O-CB 3.11Å; S41-I44 WeakPolarHBondContact O-CG1 3.49Å; S41-I44 PolarHBondContact O-N 3.2Å; A42-I44 VanDerWaalsContact C-N 3.27Å; A42-I44 PolarHBondContact O-N 2.9Å; I44-N46 PolarHBondContact O-N 3.37Å; I44-L47 HydrophobicContact CD1-CD1 4.49Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-L47 VanDerWaalsContact O-N 3.08Å; I44-L48 HydrophobicContact CG2-CD1 3.53Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.9Å; I44-I67 HydrophobicContact CD1-CB 4.32Å; I44-I67 HydrophobicContact CD1-CG1 4.15Å; I44-I67 HydrophobicContact CD1-CG2 4.15Å; I44-I70 HydrophobicContact CD1-CB 3.93Å; I44-I70 HydrophobicContact CD1-CD1 3.74Å; I44-I70 HydrophobicContact CD1-CG1 4.45Å; I44-I70 HydrophobicContact CD1-CG2 3.8Å; I44-I70 HydrophobicContact CG1-CD1 4.48Å; I44-I70 HydrophobicContact CG1-CG2 4.13Å |
| 45 | T | 95.2 | Very high | 96.5 | Very high | 42 Ų | 42 | 25.3 Ų | 25.3 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -55 | -40.8 | 178.2 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | A40 G43 L48 V49 V115 | A40-T45 WeakPolarHBondContact CB-OG1 3.44Å; G43-T45 PolarHBondContact O-N 3.16Å; T45-L48 PolarHBondContact O-N 3.3Å; T45-V49 HydrophobicContact CG2-CG2 4.39Å; T45-V49 WeakPolarHBondContact O-CB 3.34Å; T45-V49 VanDerWaalsContact O-CG2 3.26Å; T45-V49 WeakPolarHBondContact O-CG2 3.44Å; T45-V49 PolarHBondContact O-N 2.84Å; T45-V115 HydrophobicContact CG2-CG1 3.75Å |
| 46 | N | 94.4 | Very high | 96.4 | Very high | 123 Ų | 123 | 32 Ų | 32 | 66% | 0.658 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -68.1 | -39.5 | 179.4 | -67.3 | -12.1 | 0 | 0 | 0 | 111.9 | G43 I44 L48 A50 | G43-N46 PolarHBondContact O-N 3.44Å; I44-N46 PolarHBondContact O-N 3.37Å; N46-L48 VanDerWaalsContact C-N 3.35Å; N46-A50 WeakPolarHBondContact O-CB 3.31Å; N46-A50 PolarHBondContact O-N 2.84Å |
| 47 | L | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.2 | -62.9 | 172 | 0 | 0 | 0 | 111.1 | G43 I44 A50 L51 K63 A66 I67 I70 | G43-L47 WeakPolarHBondContact O-CG 3.49Å; G43-L47 PolarHBondContact O-N 3.41Å; G43-L47 VanDerWaalsContact O-N 3.17Å; I44-L47 HydrophobicContact CD1-CD1 4.49Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-L47 VanDerWaalsContact O-N 3.08Å; L47-A50 PolarHBondContact O-N 2.82Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 3.16Å; L47-K63 HydrophobicContact CD2-CD 3.45Å; L47-K63 VanDerWaalsContact CD2-CD 3.45Å; L47-A66 HydrophobicContact CD1-CB 3.94Å; L47-A66 HydrophobicContact CD2-CB 4.4Å; L47-I67 HydrophobicContact CB-CD1 3.91Å; L47-I67 HydrophobicContact CB-CG1 3.76Å; L47-I67 HydrophobicContact CD1-CG1 3.75Å; L47-I67 HydrophobicContact CG-CG1 4.4Å; L47-I70 HydrophobicContact CD1-CD1 4.02Å |
| 48 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -45 | 177.8 | -67.1 | 171.6 | 0 | 0 | 0 | 111.7 | I44 T45 N46 A50 L51 A52 I67 I95 L114 V115 | I44-L48 HydrophobicContact CG2-CD1 3.53Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.9Å; T45-L48 PolarHBondContact O-N 3.3Å; N46-L48 VanDerWaalsContact C-N 3.35Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.82Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-A52 PolarHBondContact O-N 3.07Å; L48-I67 HydrophobicContact CD2-CD1 3.61Å; L48-I67 HydrophobicContact CG-CD1 4.14Å; L48-I95 HydrophobicContact CD2-CD1 4.01Å; L48-I95 HydrophobicContact CD2-CG1 4.21Å; L48-I95 HydrophobicContact CD2-CG2 3.89Å; L48-L114 HydrophobicContact CB-CD2 3.55Å; L48-L114 HydrophobicContact CD2-CD2 3.54Å; L48-L114 HydrophobicContact CG-CD2 4.1Å; L48-L114 WeakPolarHBondContact O-CD2 3.33Å; L48-V115 HydrophobicContact CB-CB 4.44Å; L48-V115 HydrophobicContact CB-CG2 4.06Å; L48-V115 WeakPolarHBondContact CD1-O 3.47Å |
| 49 | V | 95.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | T45 L51 A52 E53 V115 | T45-V49 HydrophobicContact CG2-CG2 4.39Å; T45-V49 WeakPolarHBondContact O-CB 3.34Å; T45-V49 VanDerWaalsContact O-CG2 3.26Å; T45-V49 WeakPolarHBondContact O-CG2 3.44Å; T45-V49 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.37Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.04Å; V49-A52 VanDerWaalsContact O-N 3.08Å; V49-E53 PolarHBondContact O-N 3.06Å; V49-V115 HydrophobicContact CG2-CG2 3.75Å |
| 50 | A | 95.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N46 L47 L48 A52 E53 L55 | N46-A50 WeakPolarHBondContact O-CB 3.31Å; N46-A50 PolarHBondContact O-N 2.84Å; L47-A50 PolarHBondContact O-N 2.82Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.74Å; A50-E53 WeakPolarHBondContact O-CB 3.49Å; A50-E53 PolarHBondContact O-N 3.16Å; A50-E53 VanDerWaalsContact O-N 3.16Å; A50-L55 HydrophobicContact CB-CD1 4.37Å; A50-L55 VanDerWaalsContact O-CG 3.29Å; A50-L55 WeakPolarHBondContact O-CG 3.31Å |
| 51 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -37 | 174.7 | -73.8 | 167.8 | 0 | 0 | 0 | 112.4 | L47 L48 V49 E53 G54 L55 R60 K63 L64 I67 I95 A99 A102 L114 | L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 3.16Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.98Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.37Å; L51-E53 PolarHBondContact O-N 3.34Å; L51-G54 PolarHBondContact O-N 2.85Å; L51-L55 HydrophobicContact CD2-CD1 4.27Å; L51-R60 HydrophobicContact CD2-CB 4.38Å; L51-R60 HydrophobicContact CD2-CG 3.62Å; L51-K63 HydrophobicContact CD1-CB 4.42Å; L51-K63 HydrophobicContact CD2-CB 3.93Å; L51-K63 HydrophobicContact CG-CB 4.02Å; L51-L64 HydrophobicContact CD1-CD2 3.87Å; L51-L64 HydrophobicContact CD1-CG 4.36Å; L51-L64 HydrophobicContact CD2-CD2 4.36Å; L51-L64 HydrophobicContact CD2-CG 4.12Å; L51-I67 HydrophobicContact CD1-CD1 3.54Å; L51-I95 HydrophobicContact CD1-CG2 4Å; L51-A99 HydrophobicContact CB-CB 4.17Å; L51-A99 HydrophobicContact CD2-CB 3.88Å; L51-A99 HydrophobicContact CG-CB 4.44Å; L51-A102 WeakPolarHBondContact O-CB 3.38Å; L51-L114 HydrophobicContact CB-CD1 4.07Å; L51-L114 HydrophobicContact CB-CD2 4.17Å |
| 52 | A | 96.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.5 | -13.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L48 V49 A50 G54 T106 T111 L114 | L48-A52 PolarHBondContact O-N 3.07Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.04Å; V49-A52 VanDerWaalsContact O-N 3.08Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.74Å; A52-G54 VanDerWaalsContact C-N 3.26Å; A52-T106 VanDerWaalsContact O-CG2 3.3Å; A52-T106 WeakPolarHBondContact O-CG2 3.35Å; A52-T111 HydrophobicContact CB-CG2 3.81Å; A52-L114 HydrophobicContact CB-CD1 4.22Å |
| 53 | E | 94.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.1 | 174.4 | -67.8 | 172.2 | 170.7 | 0 | 0 | 112.9 | V49 A50 L51 | V49-E53 PolarHBondContact O-N 3.06Å; A50-E53 WeakPolarHBondContact O-CB 3.49Å; A50-E53 PolarHBondContact O-N 3.16Å; A50-E53 VanDerWaalsContact O-N 3.16Å; L51-E53 PolarHBondContact O-N 3.34Å |
| 54 | G | 93.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 27% | 0.268 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 64.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L51 A52 | L51-G54 PolarHBondContact O-N 2.85Å; A52-G54 VanDerWaalsContact C-N 3.26Å |
| 55 | L | 95.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | trans | -73.9 | 150.9 | -177.7 | -58.2 | 178.3 | 0 | 0 | 0 | 113.4 | A50 L51 E59 R60 K63 | A50-L55 HydrophobicContact CB-CD1 4.37Å; A50-L55 VanDerWaalsContact O-CG 3.29Å; A50-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 HydrophobicContact CD2-CD1 4.27Å; L55-E59 HydrophobicContact CB-CB 4.19Å; L55-E59 HydrophobicContact CD1-CB 4.32Å; L55-R60 HydrophobicContact CB-CB 4.11Å; L55-R60 PolarHBondContact O-NE 3.34Å; L55-R60 VanDerWaalsContact O-NE 3.15Å; L55-R60 PolarHBondContact O-NH2 3.04Å; L55-K63 HydrophobicContact CD1-CG 3.83Å | ||
| 56 | E | 96.7 | Very high | 97 | Very high | 141 Ų | 141 | 59.2 Ų | 59.2 | 66% | 0.659 | 32% | 0.32 | S | S | * | . | trans | -61.3 | 154.7 | 168.3 | -71.6 | -60.7 | 148.8 | 0 | 0 | 111.7 | G58 E59 R60 | E56-G58 VanDerWaalsContact C-N 3.28Å; E56-G58 PolarHBondContact O-N 3.03Å; E56-G58 VanDerWaalsContact O-N 3.1Å; E56-E59 PolarHBondContact O-N 3.45Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.03Å; E56-R60 PolarHBondContact O-N 3.25Å | ||
| 57 | P | 96.9 | Very high | 97.2 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -52.6 | -38.5 | -171.7 | -29.6 | 35.5 | 0 | 0 | 0 | 115.6 | F61 | P57-F61 WeakPolarHBondContact O-CB 3.05Å; P57-F61 PolarHBondContact O-N 3.01Å |
| 58 | G | 97.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 49% | 0.485 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.4 | -53.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E56 R60 F61 E62 | E56-G58 VanDerWaalsContact C-N 3.28Å; E56-G58 PolarHBondContact O-N 3.03Å; E56-G58 VanDerWaalsContact O-N 3.1Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.1Å; G58-F61 PolarHBondContact O-N 3.44Å; G58-E62 PolarHBondContact O-N 3.49Å; G58-E62 VanDerWaalsContact O-N 3.11Å |
| 59 | E | 97.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.9 | -65.3 | -178.7 | 173.4 | 0 | 0 | 111.6 | L55 E56 E62 K63 | L55-E59 HydrophobicContact CB-CB 4.19Å; L55-E59 HydrophobicContact CD1-CB 4.32Å; E56-E59 PolarHBondContact O-N 3.45Å; E59-E62 PolarHBondContact O-N 3.38Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.13Å; E59-K63 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 175.1 | -166.4 | -171.1 | -48.1 | 145.4 | 9.8 | 111.3 | L51 L55 E56 G58 E62 K63 L64 A99 | L51-R60 HydrophobicContact CD2-CB 4.38Å; L51-R60 HydrophobicContact CD2-CG 3.62Å; L55-R60 HydrophobicContact CB-CB 4.11Å; L55-R60 PolarHBondContact O-NE 3.34Å; L55-R60 VanDerWaalsContact O-NE 3.15Å; L55-R60 PolarHBondContact O-NH2 3.04Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.03Å; E56-R60 PolarHBondContact O-N 3.25Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.1Å; R60-E62 PolarHBondContact O-N 3.28Å; R60-K63 PolarHBondContact O-N 3.44Å; R60-L64 HydrophobicContact CG-CD1 4.08Å; R60-L64 WeakPolarHBondContact O-CB 3.41Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.44Å; R60-L64 PolarHBondContact O-N 3.5Å; R60-A99 HydrophobicContact CG-CB 4.09Å |
| 61 | F | 98.1 | Very high | 97.5 | Very high | 139 Ų | 139 | 60.4 Ų | 60.4 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 177.6 | 178.4 | -94.5 | 0 | 0 | 0 | 111.6 | P57 G58 K63 L64 D65 | P57-F61 WeakPolarHBondContact O-CB 3.05Å; P57-F61 PolarHBondContact O-N 3.01Å; G58-F61 PolarHBondContact O-N 3.44Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 2.93Å; F61-L64 PolarHBondContact O-N 2.9Å; F61-D65 WeakPolarHBondContact O-CB 3.24Å; F61-D65 PolarHBondContact O-N 3.28Å |
| 62 | E | 98.3 | Very high | 97.5 | Very high | 117 Ų | 117 | 62 Ų | 62 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 177.8 | -70 | 178.3 | 177.9 | 0 | 0 | 112.8 | G58 E59 R60 A66 | G58-E62 PolarHBondContact O-N 3.49Å; G58-E62 VanDerWaalsContact O-N 3.11Å; E59-E62 PolarHBondContact O-N 3.38Å; R60-E62 PolarHBondContact O-N 3.28Å; E62-A66 WeakPolarHBondContact O-CB 3.15Å; E62-A66 PolarHBondContact O-N 3.05Å |
| 63 | K | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.7 | -39 | -179.4 | -58.6 | -66.7 | 172 | -73.7 | 0 | 111.5 | L47 L51 L55 E59 R60 F61 A66 I67 | L47-K63 HydrophobicContact CD2-CD 3.45Å; L47-K63 VanDerWaalsContact CD2-CD 3.45Å; L51-K63 HydrophobicContact CD1-CB 4.42Å; L51-K63 HydrophobicContact CD2-CB 3.93Å; L51-K63 HydrophobicContact CG-CB 4.02Å; L55-K63 HydrophobicContact CD1-CG 3.83Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.13Å; E59-K63 VanDerWaalsContact O-N 3.11Å; R60-K63 PolarHBondContact O-N 3.44Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 2.93Å; K63-A66 PolarHBondContact O-N 3.17Å; K63-I67 WeakPolarHBondContact O-CG1 3.4Å; K63-I67 PolarHBondContact O-N 2.63Å |
| 64 | L | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 173.5 | -71.4 | 170.9 | 0 | 0 | 0 | 111.6 | L51 R60 F61 I67 R68 I95 T96 A99 | L51-L64 HydrophobicContact CD1-CD2 3.87Å; L51-L64 HydrophobicContact CD1-CG 4.36Å; L51-L64 HydrophobicContact CD2-CD2 4.36Å; L51-L64 HydrophobicContact CD2-CG 4.12Å; R60-L64 HydrophobicContact CG-CD1 4.08Å; R60-L64 WeakPolarHBondContact O-CB 3.41Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.44Å; R60-L64 PolarHBondContact O-N 3.5Å; F61-L64 PolarHBondContact O-N 2.9Å; L64-I67 PolarHBondContact O-N 3.15Å; L64-R68 WeakPolarHBondContact O-CB 3.41Å; L64-R68 PolarHBondContact O-N 2.83Å; L64-I95 HydrophobicContact CD2-CG2 3.69Å; L64-T96 HydrophobicContact CD1-CG2 4.06Å; L64-A99 HydrophobicContact CD2-CB 4.5Å |
| 65 | D | 98.5 | Very high | 98 | Very high | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | -167.7 | 65.1 | 0 | 0 | 0 | 111.4 | F61 I67 R68 N69 | F61-D65 WeakPolarHBondContact O-CB 3.24Å; F61-D65 PolarHBondContact O-N 3.28Å; D65-I67 PolarHBondContact O-N 3.02Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; D65-N69 WeakPolarHBondContact O-CB 3.3Å; D65-N69 PolarHBondContact O-N 3.02Å; D65-N69 PolarHBondContact O-ND2 3.34Å; D65-N69 VanDerWaalsContact O-ND2 3.08Å; D65-N69 PolarHBondContact OD2-ND2 3.35Å |
| 66 | A | 98.5 | Very high | 98.1 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L47 E62 K63 N69 I70 | L47-A66 HydrophobicContact CD1-CB 3.94Å; L47-A66 HydrophobicContact CD2-CB 4.4Å; E62-A66 WeakPolarHBondContact O-CB 3.15Å; E62-A66 PolarHBondContact O-N 3.05Å; K63-A66 PolarHBondContact O-N 3.17Å; A66-N69 PolarHBondContact O-N 3.46Å; A66-I70 WeakPolarHBondContact O-CG1 3.36Å; A66-I70 PolarHBondContact O-N 3.15Å; A66-I70 VanDerWaalsContact O-N 3.09Å |
| 67 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.5 | -68.6 | 164.8 | 0 | 0 | 0 | 109.7 | I44 L47 L48 L51 K63 L64 D65 N69 I70 Q71 L92 I95 M121 | I44-I67 HydrophobicContact CD1-CB 4.32Å; I44-I67 HydrophobicContact CD1-CG1 4.15Å; I44-I67 HydrophobicContact CD1-CG2 4.15Å; L47-I67 HydrophobicContact CB-CD1 3.91Å; L47-I67 HydrophobicContact CB-CG1 3.76Å; L47-I67 HydrophobicContact CD1-CG1 3.75Å; L47-I67 HydrophobicContact CG-CG1 4.4Å; L48-I67 HydrophobicContact CD2-CD1 3.61Å; L48-I67 HydrophobicContact CG-CD1 4.14Å; L51-I67 HydrophobicContact CD1-CD1 3.54Å; K63-I67 WeakPolarHBondContact O-CG1 3.4Å; K63-I67 PolarHBondContact O-N 2.63Å; L64-I67 PolarHBondContact O-N 3.15Å; D65-I67 PolarHBondContact O-N 3.02Å; I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 PolarHBondContact O-N 2.66Å; I67-I70 PolarHBondContact O-N 3.4Å; I67-Q71 HydrophobicContact CG2-CG 4.35Å; I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 3.32Å; I67-L92 HydrophobicContact CG2-CD2 3.7Å; I67-I95 HydrophobicContact CD1-CG2 4.47Å; I67-I95 HydrophobicContact CG2-CD1 4.35Å; I67-M121 HydrophobicContact CG2-CE 4.09Å |
| 68 | R | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 39% | 0.389 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 178.9 | -172.6 | 178 | -153 | 110.9 | 5.1 | 111.4 | L64 D65 I70 Q71 F72 L92 | L64-R68 WeakPolarHBondContact O-CB 3.41Å; L64-R68 PolarHBondContact O-N 2.83Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; R68-I70 PolarHBondContact O-N 3.33Å; R68-Q71 PolarHBondContact O-N 3.29Å; R68-F72 HydrophobicContact CG-CD2 3.76Å; R68-F72 HydrophobicContact CG-CE2 3.93Å; R68-F72 WeakPolarHBondContact O-CB 3.21Å; R68-F72 WeakPolarHBondContact O-CD2 3.43Å; R68-F72 PolarHBondContact O-N 3.08Å; R68-L92 HydrophobicContact CG-CD1 4.12Å |
| 69 | N | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | -179.4 | -71.6 | -34 | 0 | 0 | 0 | 112.3 | D65 A66 I67 A73 | D65-N69 WeakPolarHBondContact O-CB 3.3Å; D65-N69 PolarHBondContact O-N 3.02Å; D65-N69 PolarHBondContact O-ND2 3.34Å; D65-N69 VanDerWaalsContact O-ND2 3.08Å; D65-N69 PolarHBondContact OD2-ND2 3.35Å; A66-N69 PolarHBondContact O-N 3.46Å; I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 PolarHBondContact O-N 2.66Å; N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.38Å; N69-A73 PolarHBondContact O-N 3.16Å |
| 70 | I | 98.2 | Very high | 98.2 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 177 | -68.4 | 164.2 | 0 | 0 | 0 | 110.8 | I44 L47 A66 I67 R68 A73 | I44-I70 HydrophobicContact CD1-CB 3.93Å; I44-I70 HydrophobicContact CD1-CD1 3.74Å; I44-I70 HydrophobicContact CD1-CG1 4.45Å; I44-I70 HydrophobicContact CD1-CG2 3.8Å; I44-I70 HydrophobicContact CG1-CD1 4.48Å; I44-I70 HydrophobicContact CG1-CG2 4.13Å; L47-I70 HydrophobicContact CD1-CD1 4.02Å; A66-I70 WeakPolarHBondContact O-CG1 3.36Å; A66-I70 PolarHBondContact O-N 3.15Å; A66-I70 VanDerWaalsContact O-N 3.09Å; I67-I70 PolarHBondContact O-N 3.4Å; R68-I70 PolarHBondContact O-N 3.33Å; I70-A73 PolarHBondContact O-N 3.25Å |
| 71 | Q | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | -177.7 | -60 | -57.3 | -31.6 | 0 | 0 | 111.8 | I67 R68 A73 I74 L75 I88 M121 | I67-Q71 HydrophobicContact CG2-CG 4.35Å; I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 3.32Å; R68-Q71 PolarHBondContact O-N 3.29Å; Q71-A73 PolarHBondContact O-N 3.09Å; Q71-I74 PolarHBondContact O-N 2.96Å; Q71-L75 PolarHBondContact O-N 3.33Å; Q71-I88 HydrophobicContact CB-CG2 4.34Å; Q71-M121 HydrophobicContact CG-CE 4.07Å; Q71-M121 HydrophobicContact CG-SD 3.73Å |
| 72 | F | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69 | -31.9 | 178.4 | -86.4 | -110.7 | 0 | 0 | 0 | 112.6 | R68 I74 L75 E76 R85 E89 L92 | R68-F72 HydrophobicContact CG-CD2 3.76Å; R68-F72 HydrophobicContact CG-CE2 3.93Å; R68-F72 WeakPolarHBondContact O-CB 3.21Å; R68-F72 WeakPolarHBondContact O-CD2 3.43Å; R68-F72 PolarHBondContact O-N 3.08Å; F72-I74 PolarHBondContact O-N 3.23Å; F72-L75 HydrophobicContact CD1-CD2 4.22Å; F72-L75 HydrophobicContact CE1-CD2 4.15Å; F72-L75 HydrophobicContact CG-CD2 4.5Å; F72-L75 HydrophobicContact CZ-CD2 4.33Å; F72-L75 PolarHBondContact O-N 2.83Å; F72-E76 HydrophobicContact CD1-CG 4.43Å; F72-E76 WeakPolarHBondContact O-CB 3.5Å; F72-E76 VanDerWaalsContact O-CG 3.3Å; F72-E76 WeakPolarHBondContact O-CG 3.3Å; F72-E76 PolarHBondContact O-N 3.15Å; F72-R85 VanDerWaalsContact CE1-NH1 3.33Å; F72-E89 HydrophobicContact CE2-CG 4.46Å; F72-E89 HydrophobicContact CZ-CG 3.89Å; F72-L92 HydrophobicContact CD2-CD1 4.17Å; F72-L92 HydrophobicContact CE2-CD1 3.57Å |
| 73 | A | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.1 | -24.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N69 I70 Q71 R77 | N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.38Å; N69-A73 PolarHBondContact O-N 3.16Å; I70-A73 PolarHBondContact O-N 3.25Å; Q71-A73 PolarHBondContact O-N 3.09Å; A73-R77 WeakPolarHBondContact O-CD 3.38Å; A73-R77 WeakPolarHBondContact O-CG 3.25Å |
| 74 | I | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -86.8 | -51.3 | 172.7 | -55.3 | 174 | 0 | 0 | 0 | 110.1 | F17 M20 Q71 F72 E76 R77 L125 | F17-I74 HydrophobicContact CB-CG2 4.4Å; M20-I74 HydrophobicContact CE-CD1 3.78Å; M20-I74 HydrophobicContact CE-CG2 4.46Å; M20-I74 HydrophobicContact SD-CD1 4.25Å; M20-I74 HydrophobicContact SD-CG2 3.77Å; Q71-I74 PolarHBondContact O-N 2.96Å; F72-I74 PolarHBondContact O-N 3.23Å; I74-E76 PolarHBondContact O-N 3.43Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.12Å; I74-L125 HydrophobicContact CB-CD1 4.05Å; I74-L125 HydrophobicContact CD1-CD1 4.21Å; I74-L125 HydrophobicContact CG2-CB 4.19Å; I74-L125 HydrophobicContact CG2-CD1 4.01Å; I74-L125 HydrophobicContact CG2-CD2 4.32Å; I74-L125 HydrophobicContact CG2-CG 4.41Å |
| 75 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.3 | -50.4 | -178.1 | -179.7 | 68.6 | 0 | 0 | 0 | 111.9 | Q71 F72 R77 L78 P81 I84 R85 L125 | Q71-L75 PolarHBondContact O-N 3.33Å; F72-L75 HydrophobicContact CD1-CD2 4.22Å; F72-L75 HydrophobicContact CE1-CD2 4.15Å; F72-L75 HydrophobicContact CG-CD2 4.5Å; F72-L75 HydrophobicContact CZ-CD2 4.33Å; F72-L75 PolarHBondContact O-N 2.83Å; L75-R77 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact O-N 3.14Å; L75-L78 HydrophobicContact CD1-CD1 4.1Å; L75-L78 VanDerWaalsContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 2.8Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L75-P81 HydrophobicContact CD1-CB 4.32Å; L75-P81 HydrophobicContact CG-CB 4.29Å; L75-P81 WeakPolarHBondContact O-CB 3.44Å; L75-I84 HydrophobicContact CD1-CG2 3.42Å; L75-I84 VanDerWaalsContact CD1-CG2 3.42Å; L75-R85 HydrophobicContact CD2-CB 4.18Å; L75-R85 HydrophobicContact CD2-CG 4.18Å; L75-L125 HydrophobicContact CB-CD2 4.15Å; L75-L125 HydrophobicContact CD1-CD2 4.11Å |
| 76 | E | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 63.8 Ų | 63.8 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.3 | -175.6 | -61.5 | -56.8 | 158.5 | 0 | 0 | 113.9 | F72 I74 R85 | F72-E76 HydrophobicContact CD1-CG 4.43Å; F72-E76 WeakPolarHBondContact O-CB 3.5Å; F72-E76 VanDerWaalsContact O-CG 3.3Å; F72-E76 WeakPolarHBondContact O-CG 3.3Å; F72-E76 PolarHBondContact O-N 3.15Å; I74-E76 PolarHBondContact O-N 3.43Å; E76-R85 IonicContact OE1-CZ 3.26Å; E76-R85 IonicContact OE1-NH1 3.5Å; E76-R85 PolarHBondContact OE1-NH1 3.47Å; E76-R85 IonicContact OE1-NH2 2.66Å; E76-R85 PolarHBondContact OE1-NH2 3.27Å; E76-R85 IonicContact OE2-NH2 2.73Å; E76-R85 PolarHBondContact OE2-NH2 2.93Å |
| 77 | R | 98.3 | Very high | 98 | Very high | 114 Ų | 114 | 65.1 Ų | 65.1 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -9.2 | 175 | -68.3 | -175.1 | 63.5 | -172.6 | -3 | 113.3 | F17 D18 A73 I74 L75 | F17-R77 HydrophobicContact CB-CB 4.05Å; F17-R77 HydrophobicContact CD1-CB 4.13Å; F17-R77 VanDerWaalsContact CD1-NH2 3.3Å; F17-R77 HydrophobicContact CD2-CB 3.51Å; F17-R77 HydrophobicContact CE1-CB 4.45Å; F17-R77 HydrophobicContact CE2-CB 3.9Å; F17-R77 WeakPolarHBondContact CE2-O 3.4Å; F17-R77 HydrophobicContact CG-CB 3.63Å; F17-R77 HydrophobicContact CZ-CB 4.34Å; F17-R77 WeakPolarHBondContact CZ-O 3.29Å; D18-R77 VanDerWaalsContact CG-NH1 3.31Å; D18-R77 IonicContact OD1-CZ 3.65Å; D18-R77 IonicContact OD1-NH1 3.36Å; D18-R77 PolarHBondContact OD1-NH1 3.04Å; D18-R77 IonicContact OD1-NH2 3.38Å; D18-R77 PolarHBondContact OD1-NH2 2.88Å; D18-R77 IonicContact OD2-CZ 3.64Å; D18-R77 IonicContact OD2-NH1 2.63Å; D18-R77 PolarHBondContact OD2-NH1 2.71Å; D18-R77 IonicContact OD2-NH2 2.81Å; D18-R77 PolarHBondContact OD2-NH2 3.13Å; A73-R77 WeakPolarHBondContact O-CD 3.38Å; A73-R77 WeakPolarHBondContact O-CG 3.25Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.12Å; L75-R77 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact O-N 3.14Å |
| 78 | L | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -61.7 | 147.9 | 168.4 | -63.1 | 179 | 0 | 0 | 0 | 109.8 | F17 L75 Y80 P81 I84 L125 E128 I129 E132 | F17-L78 HydrophobicContact CE2-CD2 4.14Å; L75-L78 HydrophobicContact CD1-CD1 4.1Å; L75-L78 VanDerWaalsContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 2.8Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-P81 HydrophobicContact CB-CB 4.49Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; L78-I84 HydrophobicContact CD1-CG2 3.93Å; L78-L125 HydrophobicContact CD1-CD2 4.35Å; L78-E128 HydrophobicContact CD1-CB 4.04Å; L78-E128 HydrophobicContact CD2-CB 4.4Å; L78-I129 HydrophobicContact CD2-CD1 4.45Å; L78-I129 HydrophobicContact CD2-CG1 3.54Å; L78-E132 WeakPolarHBondContact CB-OE1 3.43Å |
| 79 | R | 97.2 | Very high | 97.9 | Very high | 143 Ų | 143 | 63 Ų | 63 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -65.2 | -34.8 | 169.4 | -69.4 | -178.1 | -87.2 | 179.8 | -25 | 112.3 | E132 | R79-E132 WeakPolarHBondContact CA-OE1 3.36Å; R79-E132 HydrophobicContact CB-CG 4.38Å; R79-E132 WeakPolarHBondContact CB-OE1 3.32Å; R79-E132 WeakPolarHBondContact CB-OE2 3.5Å; R79-E132 WeakPolarHBondContact CG-OE2 3.26Å; R79-E132 PolarHBondContact N-OE1 3.48Å; R79-E132 PolarHBondContact N-OE2 3.07Å; R79-E132 VanDerWaalsContact N-OE2 3.07Å; R79-E132 IonicContact NE-OE2 2.79Å; R79-E132 PolarHBondContact NE-OE2 2.94Å; R79-E132 PolarHBondContact NH1-O 3.02Å; R79-E132 PolarHBondContact NH2-O 3.13Å |
| 80 | Y | 96.5 | Very high | 98 | Very high | 145 Ų | 145 | 64 Ų | 64 | 57% | 0.569 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -125.2 | 63.5 | -178.3 | -51.7 | -65.6 | 0 | 0 | 0 | 112.1 | L78 N82 V83 E132 | L78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 3.44Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; Y80-V83 WeakPolarHBondContact O-CG2 3.43Å; Y80-V83 PolarHBondContact O-N 3.37Å; Y80-V83 VanDerWaalsContact O-N 3.16Å; Y80-E132 HydrophobicContact CD2-CG 4.07Å; Y80-E132 PolarHBondContact N-OE1 3.23Å |
| 81 | P | 96.5 | Very high | 98 | Very high | 23 Ų | 23 | 62 Ų | 62 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -59.6 | -31 | -171.9 | 24.7 | -34.9 | 0 | 0 | 0 | 113.6 | L75 L78 V83 I84 R85 | L75-P81 HydrophobicContact CD1-CB 4.32Å; L75-P81 HydrophobicContact CG-CB 4.29Å; L75-P81 WeakPolarHBondContact O-CB 3.44Å; L78-P81 HydrophobicContact CB-CB 4.49Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; P81-V83 PolarHBondContact O-N 3.33Å; P81-V83 VanDerWaalsContact O-N 3.15Å; P81-I84 PolarHBondContact O-N 2.93Å; P81-R85 WeakPolarHBondContact O-CB 3.41Å; P81-R85 PolarHBondContact O-N 3.48Å |
| 82 | N | 97.2 | Very high | 98 | Very high | 123 Ų | 123 | 62.4 Ų | 62.4 | 66% | 0.658 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -65.2 | -18.5 | -176.7 | -64 | -21.3 | 0 | 0 | 0 | 113.6 | Y80 I84 R85 | Y80-N82 PolarHBondContact O-N 3.44Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; N82-I84 PolarHBondContact O-N 3.06Å; N82-R85 PolarHBondContact OD1-NE 3.34Å |
| 83 | V | 96.5 | Very high | 98 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -68.3 | -23.3 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | Y80 P81 E128 | Y80-V83 WeakPolarHBondContact O-CG2 3.43Å; Y80-V83 PolarHBondContact O-N 3.37Å; Y80-V83 VanDerWaalsContact O-N 3.16Å; P81-V83 PolarHBondContact O-N 3.33Å; P81-V83 VanDerWaalsContact O-N 3.15Å; V83-E128 HydrophobicContact CG2-CG 4.04Å; V83-E128 VanDerWaalsContact CG2-OE2 3.3Å; V83-E128 WeakPolarHBondContact CG2-OE2 3.43Å |
| 84 | I | 97.6 | Very high | 98 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | -8.1 | -175.5 | -158.7 | 63.8 | 0 | 0 | 0 | 113.6 | L75 L78 P81 N82 E86 E87 I88 L124 L125 E128 | L75-I84 HydrophobicContact CD1-CG2 3.42Å; L75-I84 VanDerWaalsContact CD1-CG2 3.42Å; L78-I84 HydrophobicContact CD1-CG2 3.93Å; P81-I84 PolarHBondContact O-N 2.93Å; N82-I84 PolarHBondContact O-N 3.06Å; I84-E86 PolarHBondContact O-N 3.28Å; I84-E87 HydrophobicContact CD1-CB 4.01Å; I84-E87 HydrophobicContact CD1-CG 4.27Å; I84-E87 PolarHBondContact O-N 3.45Å; I84-E87 VanDerWaalsContact O-N 3.15Å; I84-I88 HydrophobicContact CG1-CG1 4.33Å; I84-I88 PolarHBondContact O-N 2.91Å; I84-I88 VanDerWaalsContact O-N 3.08Å; I84-L124 HydrophobicContact CD1-CB 4.28Å; I84-L124 HydrophobicContact CD1-CD2 4.18Å; I84-L124 HydrophobicContact CG1-CB 4.26Å; I84-L125 HydrophobicContact CG2-CD2 4.48Å; I84-E128 HydrophobicContact CB-CG 3.88Å; I84-E128 HydrophobicContact CG1-CG 4.17Å; I84-E128 HydrophobicContact CG2-CG 4.01Å |
| 85 | R | 98.6 | Very high | 98 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -50.3 | -52.9 | -179.4 | 177.1 | -179.1 | -60.5 | -75.7 | -0.8 | 113 | F72 L75 E76 P81 N82 E87 I88 E89 | F72-R85 VanDerWaalsContact CE1-NH1 3.33Å; L75-R85 HydrophobicContact CD2-CB 4.18Å; L75-R85 HydrophobicContact CD2-CG 4.18Å; E76-R85 IonicContact OE1-CZ 3.26Å; E76-R85 IonicContact OE1-NH1 3.5Å; E76-R85 PolarHBondContact OE1-NH1 3.47Å; E76-R85 IonicContact OE1-NH2 2.66Å; E76-R85 PolarHBondContact OE1-NH2 3.27Å; E76-R85 IonicContact OE2-NH2 2.73Å; E76-R85 PolarHBondContact OE2-NH2 2.93Å; P81-R85 WeakPolarHBondContact O-CB 3.41Å; P81-R85 PolarHBondContact O-N 3.48Å; N82-R85 PolarHBondContact OD1-NE 3.34Å; R85-E87 PolarHBondContact O-N 3.01Å; R85-I88 PolarHBondContact O-N 3.06Å; R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.43Å |
| 86 | E | 98.2 | Very high | 98 | Very high | 159 Ų | 159 | 68.9 Ų | 68.9 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | -176.9 | -66.8 | -177.3 | 175.3 | 0 | 0 | 111.7 | I84 E89 R90 | I84-E86 PolarHBondContact O-N 3.28Å; E86-E89 PolarHBondContact O-N 3Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.35Å |
| 87 | E | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | 179.3 | -178 | 64.3 | -178.2 | 0 | 0 | 111.9 | I84 R85 R90 L91 L124 | I84-E87 HydrophobicContact CD1-CB 4.01Å; I84-E87 HydrophobicContact CD1-CG 4.27Å; I84-E87 PolarHBondContact O-N 3.45Å; I84-E87 VanDerWaalsContact O-N 3.15Å; R85-E87 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact CD-NH2 3.3Å; E87-R90 PolarHBondContact O-N 2.6Å; E87-R90 IonicContact OE1-CZ 3.59Å; E87-R90 IonicContact OE1-NE 3.72Å; E87-R90 IonicContact OE1-NH2 2.65Å; E87-R90 PolarHBondContact OE1-NH2 3.23Å; E87-R90 IonicContact OE2-CZ 3.42Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 3.3Å; E87-R90 IonicContact OE2-NH2 3.25Å; E87-R90 PolarHBondContact OE2-NH2 2.84Å; E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 2.83Å; E87-L124 HydrophobicContact CG-CD1 3.73Å |
| 88 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.5 | -63.9 | -61.4 | 0 | 0 | 0 | 111 | Q71 I84 R85 L91 L92 M121 L124 L125 | Q71-I88 HydrophobicContact CB-CG2 4.34Å; I84-I88 HydrophobicContact CG1-CG1 4.33Å; I84-I88 PolarHBondContact O-N 2.91Å; I84-I88 VanDerWaalsContact O-N 3.08Å; R85-I88 PolarHBondContact O-N 3.06Å; I88-L91 PolarHBondContact O-N 3.14Å; I88-L92 HydrophobicContact CG2-CD1 4.08Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.63Å; I88-M121 HydrophobicContact CD1-CB 4.19Å; I88-M121 HydrophobicContact CD1-CG 4.2Å; I88-L124 HydrophobicContact CD1-CB 4.36Å; I88-L124 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD2 4.24Å; I88-L125 HydrophobicContact CD1-CG 4.03Å; I88-L125 HydrophobicContact CG1-CD2 4.24Å |
| 89 | E | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 176.1 | -74.2 | 177.5 | 166.3 | 0 | 0 | 111.6 | F72 R85 E86 L91 L92 E93 | F72-E89 HydrophobicContact CE2-CG 4.46Å; F72-E89 HydrophobicContact CZ-CG 3.89Å; R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 3Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.21Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-L92 VanDerWaalsContact O-N 3.13Å; E89-E93 WeakPolarHBondContact O-CG 3.41Å; E89-E93 PolarHBondContact O-N 3.49Å |
| 90 | R | 98.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 62.4 Ų | 62.4 | 43% | 0.426 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58 | -42 | 174.5 | -172 | -175.1 | 73.1 | 83.5 | 2 | 112.4 | E86 E87 E93 N94 | E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.35Å; E87-R90 VanDerWaalsContact CD-NH2 3.3Å; E87-R90 PolarHBondContact O-N 2.6Å; E87-R90 IonicContact OE1-CZ 3.59Å; E87-R90 IonicContact OE1-NE 3.72Å; E87-R90 IonicContact OE1-NH2 2.65Å; E87-R90 PolarHBondContact OE1-NH2 3.23Å; E87-R90 IonicContact OE2-CZ 3.42Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 3.3Å; E87-R90 IonicContact OE2-NH2 3.25Å; E87-R90 PolarHBondContact OE2-NH2 2.84Å; R90-E93 PolarHBondContact O-N 3.47Å; R90-N94 VanDerWaalsContact O-CG 3.29Å; R90-N94 PolarHBondContact O-N 2.96Å; R90-N94 PolarHBondContact O-ND2 2.91Å |
| 91 | L | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176 | -69.8 | 176.9 | 0 | 0 | 0 | 112.1 | E87 I88 E89 N94 I95 L120 M121 L124 | E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 2.83Å; I88-L91 PolarHBondContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.21Å; L91-N94 PolarHBondContact O-N 3.37Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 2.89Å; L91-L120 HydrophobicContact CD1-CB 4.09Å; L91-L120 HydrophobicContact CD2-CD1 4.37Å; L91-M121 HydrophobicContact CB-CG 4.08Å; L91-M121 HydrophobicContact CB-SD 4.35Å; L91-M121 HydrophobicContact CD1-CG 3.65Å; L91-L124 HydrophobicContact CD1-CD1 3.58Å |
| 92 | L | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 175.6 | -69.5 | 166.1 | 0 | 0 | 0 | 112.6 | I67 R68 F72 I88 E89 I95 T96 M121 | I67-L92 HydrophobicContact CG2-CD2 3.7Å; R68-L92 HydrophobicContact CG-CD1 4.12Å; F72-L92 HydrophobicContact CD2-CD1 4.17Å; F72-L92 HydrophobicContact CE2-CD1 3.57Å; I88-L92 HydrophobicContact CG2-CD1 4.08Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.63Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-L92 VanDerWaalsContact O-N 3.13Å; L92-I95 HydrophobicContact CD2-CD1 4.35Å; L92-I95 PolarHBondContact O-N 2.94Å; L92-T96 PolarHBondContact O-N 3.04Å; L92-T96 PolarHBondContact O-OG1 3.26Å; L92-M121 HydrophobicContact CD2-SD 4.12Å; L92-M121 HydrophobicContact CG-SD 4.36Å |
| 93 | E | 98.5 | Very high | 98.1 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 58% | 0.579 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 172.4 | -73.5 | 174.9 | -175.7 | 0 | 0 | 111.1 | E89 R90 I95 T96 V97 | E89-E93 WeakPolarHBondContact O-CG 3.41Å; E89-E93 PolarHBondContact O-N 3.49Å; R90-E93 PolarHBondContact O-N 3.47Å; E93-I95 PolarHBondContact O-N 2.99Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.42Å; E93-T96 VanDerWaalsContact O-N 3.1Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 2.85Å |
| 94 | N | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.7 | -69.6 | -18.5 | 0 | 0 | 0 | 112.2 | R90 L91 T96 V97 L98 H117 | R90-N94 VanDerWaalsContact O-CG 3.29Å; R90-N94 PolarHBondContact O-N 2.96Å; R90-N94 PolarHBondContact O-ND2 2.91Å; L91-N94 PolarHBondContact O-N 3.37Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.25Å; N94-V97 PolarHBondContact O-N 2.66Å; N94-L98 WeakPolarHBondContact O-CB 3.17Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 3.34Å; N94-H117 WeakPolarHBondContact CB-NE2 3.5Å |
| 95 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 175 | -66.4 | 163.7 | 0 | 0 | 0 | 110.4 | L48 L51 L64 I67 L91 L92 E93 L98 A99 H117 M121 | L48-I95 HydrophobicContact CD2-CD1 4.01Å; L48-I95 HydrophobicContact CD2-CG1 4.21Å; L48-I95 HydrophobicContact CD2-CG2 3.89Å; L51-I95 HydrophobicContact CD1-CG2 4Å; L64-I95 HydrophobicContact CD2-CG2 3.69Å; I67-I95 HydrophobicContact CD1-CG2 4.47Å; I67-I95 HydrophobicContact CG2-CD1 4.35Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 2.89Å; L92-I95 HydrophobicContact CD2-CD1 4.35Å; L92-I95 PolarHBondContact O-N 2.94Å; E93-I95 PolarHBondContact O-N 2.99Å; I95-L98 PolarHBondContact O-N 3.4Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.34Å; I95-A99 PolarHBondContact O-N 3.08Å; I95-H117 HydrophobicContact CD1-CB 3.68Å; I95-H117 HydrophobicContact CG1-CB 3.65Å; I95-M121 HydrophobicContact CD1-CE 3.65Å; I95-M121 HydrophobicContact CD1-SD 4.15Å |
| 96 | T | 98.5 | Very high | 97.9 | Very high | 46 Ų | 46 | 60 Ų | 60 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111 | L64 L92 E93 N94 L98 A99 E100 | L64-T96 HydrophobicContact CD1-CG2 4.06Å; L92-T96 PolarHBondContact O-N 3.04Å; L92-T96 PolarHBondContact O-OG1 3.26Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.42Å; E93-T96 VanDerWaalsContact O-N 3.1Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.25Å; T96-L98 VanDerWaalsContact C-N 3.35Å; T96-L98 PolarHBondContact O-N 3.33Å; T96-A99 PolarHBondContact O-N 2.8Å; T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 3.22Å |
| 97 | V | 98.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.9 | 174 | 0 | 0 | 0 | 0 | 111.5 | E93 N94 E100 A101 | E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 2.85Å; N94-V97 PolarHBondContact O-N 2.66Å; V97-E100 PolarHBondContact O-N 2.8Å; V97-A101 PolarHBondContact O-N 2.97Å |
| 98 | L | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 178.4 | -70 | 168.9 | 0 | 0 | 0 | 112.1 | N94 I95 T96 A101 A102 E113 L114 H117 | N94-L98 WeakPolarHBondContact O-CB 3.17Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 3.34Å; I95-L98 PolarHBondContact O-N 3.4Å; T96-L98 VanDerWaalsContact C-N 3.35Å; T96-L98 PolarHBondContact O-N 3.33Å; L98-A101 PolarHBondContact O-N 3.18Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.35Å; L98-E113 HydrophobicContact CD1-CG 3.8Å; L98-E113 HydrophobicContact CD2-CG 4.21Å; L98-L114 HydrophobicContact CB-CB 4.35Å; L98-L114 HydrophobicContact CB-CD1 4.02Å; L98-L114 HydrophobicContact CB-CG 4.19Å; L98-L114 HydrophobicContact CD1-CB 4.37Å; L98-H117 VanDerWaalsContact CD1-CE1 3.49Å; L98-H117 WeakPolarHBondContact CD1-CE1 3.42Å |
| 99 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L51 R60 L64 I95 T96 A102 A103 L114 | L51-A99 HydrophobicContact CB-CB 4.17Å; L51-A99 HydrophobicContact CD2-CB 3.88Å; L51-A99 HydrophobicContact CG-CB 4.44Å; R60-A99 HydrophobicContact CG-CB 4.09Å; L64-A99 HydrophobicContact CD2-CB 4.5Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.34Å; I95-A99 PolarHBondContact O-N 3.08Å; T96-A99 PolarHBondContact O-N 2.8Å; A99-A102 PolarHBondContact O-N 3.03Å; A99-A103 PolarHBondContact O-N 3.21Å; A99-L114 HydrophobicContact CB-CD1 4.4Å |
| 100 | E | 98 | Very high | 97.5 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 171.9 | -72 | 176.7 | 170.7 | 0 | 0 | 111.7 | T96 V97 A103 L104 | T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 3.22Å; V97-E100 PolarHBondContact O-N 2.8Å; E100-A103 PolarHBondContact O-N 3Å; E100-L104 PolarHBondContact O-N 3.25Å |
| 101 | A | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 52 Ų | 52 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V97 L98 A103 L104 A105 L110 | V97-A101 PolarHBondContact O-N 2.97Å; L98-A101 PolarHBondContact O-N 3.18Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.34Å; A101-L104 WeakPolarHBondContact O-CB 3.41Å; A101-L104 PolarHBondContact O-N 3.5Å; A101-A105 PolarHBondContact O-N 3.05Å; A101-L110 HydrophobicContact CB-CD1 3.82Å |
| 102 | A | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 L98 A99 L104 A105 T106 L110 | L51-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.35Å; A99-A102 PolarHBondContact O-N 3.03Å; A102-L104 PolarHBondContact O-N 3.37Å; A102-A105 CarbonylContact O-C 3.49Å; A102-A105 PolarHBondContact O-N 3.37Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.42Å; A102-L110 HydrophobicContact CB-CD1 4.47Å; A102-L110 HydrophobicContact CB-CD2 3.64Å |
| 103 | A | 96.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -20.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A99 E100 A101 | A99-A103 PolarHBondContact O-N 3.21Å; E100-A103 PolarHBondContact O-N 3Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.34Å |
| 104 | L | 96.4 | Very high | 97.4 | Very high | 161 Ų | 161 | 48.4 Ų | 48.4 | 84% | 0.843 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -87 | -44.8 | 172.2 | -62.7 | 175 | 0 | 0 | 0 | 111.4 | E100 A101 A102 | E100-L104 PolarHBondContact O-N 3.25Å; A101-L104 WeakPolarHBondContact O-CB 3.41Å; A101-L104 PolarHBondContact O-N 3.5Å; A102-L104 PolarHBondContact O-N 3.37Å |
| 105 | A | 96.2 | Very high | 97.4 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 55% | 0.554 | 28% | 0.28 | S | S | * | . | trans | -156.9 | 118.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A101 A102 | A101-A105 PolarHBondContact O-N 3.05Å; A102-A105 CarbonylContact O-C 3.49Å; A102-A105 PolarHBondContact O-N 3.37Å | ||
| 106 | T | 94.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 45.6 Ų | 45.6 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | trans | -76.4 | 148.5 | 172.2 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | A52 A102 | A52-T106 VanDerWaalsContact O-CG2 3.3Å; A52-T106 WeakPolarHBondContact O-CG2 3.35Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.42Å | ||
| 107 | S | 96.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | trans | -154.7 | 150.2 | 168.4 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | A109 L110 T111 | S107-A109 PolarHBondContact O-N 3.44Å; S107-L110 PolarHBondContact O-N 2.97Å; S107-L110 VanDerWaalsContact OG-CB 3.31Å; S107-L110 WeakPolarHBondContact OG-CB 3.47Å; S107-L110 PolarHBondContact OG-N 3.34Å; S107-T111 PolarHBondContact O-N 3.4Å; S107-T111 PolarHBondContact O-OG1 2.87Å; S107-T111 VanDerWaalsContact O-OG1 3.12Å | ||
| 108 | P | 94.9 | Very high | 97.4 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.7 | -37 | 176.5 | -29.7 | 37.3 | 0 | 0 | 0 | 113.9 | T111 D112 F152 | P108-T111 PolarHBondContact O-N 3.41Å; P108-D112 PolarHBondContact O-N 2.98Å; P108-F152 HydrophobicContact CB-CB 3.58Å; P108-F152 HydrophobicContact CB-CG 4.48Å |
| 109 | A | 97.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S107 E113 F152 | S107-A109 PolarHBondContact O-N 3.44Å; A109-E113 PolarHBondContact O-N 3.31Å; A109-E113 VanDerWaalsContact O-N 3.15Å; A109-F152 VanDerWaalsContact CA-CD1 3.49Å; A109-F152 HydrophobicContact CB-CD1 3.77Å; A109-F152 HydrophobicContact CB-CD2 3.96Å; A109-F152 HydrophobicContact CB-CE1 3.66Å; A109-F152 HydrophobicContact CB-CE2 3.88Å; A109-F152 HydrophobicContact CB-CG 3.94Å; A109-F152 HydrophobicContact CB-CZ 3.73Å |
| 110 | L | 97.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 173.9 | -175.2 | 154.5 | 0 | 0 | 0 | 110.6 | A101 A102 S107 D112 E113 L114 | A101-L110 HydrophobicContact CB-CD1 3.82Å; A102-L110 HydrophobicContact CB-CD1 4.47Å; A102-L110 HydrophobicContact CB-CD2 3.64Å; S107-L110 PolarHBondContact O-N 2.97Å; S107-L110 VanDerWaalsContact OG-CB 3.31Å; S107-L110 WeakPolarHBondContact OG-CB 3.47Å; S107-L110 PolarHBondContact OG-N 3.34Å; L110-D112 VanDerWaalsContact C-N 3.35Å; L110-D112 PolarHBondContact O-N 3.27Å; L110-E113 PolarHBondContact O-N 2.86Å; L110-L114 HydrophobicContact CD2-CD1 4.22Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.01Å |
| 111 | T | 97.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -47.4 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A52 S107 P108 E113 L114 V115 | A52-T111 HydrophobicContact CB-CG2 3.81Å; S107-T111 PolarHBondContact O-N 3.4Å; S107-T111 PolarHBondContact O-OG1 2.87Å; S107-T111 VanDerWaalsContact O-OG1 3.12Å; P108-T111 PolarHBondContact O-N 3.41Å; T111-E113 PolarHBondContact O-N 2.91Å; T111-L114 PolarHBondContact O-N 3.37Å; T111-V115 HydrophobicContact CG2-CG2 4.18Å; T111-V115 WeakPolarHBondContact O-CB 3.49Å; T111-V115 VanDerWaalsContact O-CG2 3.27Å; T111-V115 WeakPolarHBondContact O-CG2 3.19Å; T111-V115 PolarHBondContact O-N 3.02Å |
| 112 | D | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 178.8 | -81.3 | 1.4 | 0 | 0 | 0 | 112.4 | P108 L110 S116 F152 G153 T194 T195 | P108-D112 PolarHBondContact O-N 2.98Å; L110-D112 VanDerWaalsContact C-N 3.35Å; L110-D112 PolarHBondContact O-N 3.27Å; D112-S116 WeakPolarHBondContact O-CB 3.2Å; D112-S116 PolarHBondContact O-N 2.91Å; D112-S116 VanDerWaalsContact O-N 3.12Å; D112-F152 HydrophobicContact CB-CD1 4.18Å; D112-F152 WeakPolarHBondContact OD2-CA 3.33Å; D112-F152 WeakPolarHBondContact OD2-CB 3.21Å; D112-F152 WeakPolarHBondContact OD2-CD1 3.28Å; D112-G153 WeakPolarHBondContact OD1-CA 3.43Å; D112-G153 PolarHBondContact OD1-N 3.02Å; D112-G153 VanDerWaalsContact OD1-N 3.09Å; D112-G153 PolarHBondContact OD2-N 3.3Å; D112-T194 VanDerWaalsContact OD2-CA 3.24Å; D112-T194 WeakPolarHBondContact OD2-CA 3.4Å; D112-T195 HydrophobicContact CB-CG2 3.92Å; D112-T195 VanDerWaalsContact CG-N 3.25Å; D112-T195 WeakPolarHBondContact OD1-CB 3.36Å; D112-T195 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T195 PolarHBondContact OD1-OG1 2.93Å; D112-T195 PolarHBondContact OD2-N 3.25Å |
| 113 | E | 98.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 176.1 | -174.6 | 63.6 | -152.8 | 0 | 0 | 111.2 | L98 A109 L110 T111 S116 H117 T193 | L98-E113 HydrophobicContact CD1-CG 3.8Å; L98-E113 HydrophobicContact CD2-CG 4.21Å; A109-E113 PolarHBondContact O-N 3.31Å; A109-E113 VanDerWaalsContact O-N 3.15Å; L110-E113 PolarHBondContact O-N 2.86Å; T111-E113 PolarHBondContact O-N 2.91Å; E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 3.41Å; E113-H117 PolarHBondContact O-CE1 3.3Å; E113-H117 VanDerWaalsContact O-CE1 3.32Å; E113-H117 PolarHBondContact O-ND1 3.39Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-T193 WeakPolarHBondContact OE2-CB 3.35Å; E113-T193 PolarHBondContact OE2-OG1 2.96Å |
| 114 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -50.3 | -178 | -166.7 | 162 | 0 | 0 | 0 | 110.8 | L48 L51 A52 L98 A99 L110 T111 S116 H117 | L48-L114 HydrophobicContact CB-CD2 3.55Å; L48-L114 HydrophobicContact CD2-CD2 3.54Å; L48-L114 HydrophobicContact CG-CD2 4.1Å; L48-L114 WeakPolarHBondContact O-CD2 3.33Å; L51-L114 HydrophobicContact CB-CD1 4.07Å; L51-L114 HydrophobicContact CB-CD2 4.17Å; A52-L114 HydrophobicContact CB-CD1 4.22Å; L98-L114 HydrophobicContact CB-CB 4.35Å; L98-L114 HydrophobicContact CB-CD1 4.02Å; L98-L114 HydrophobicContact CB-CG 4.19Å; L98-L114 HydrophobicContact CD1-CB 4.37Å; A99-L114 HydrophobicContact CB-CD1 4.4Å; L110-L114 HydrophobicContact CD2-CD1 4.22Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.01Å; T111-L114 PolarHBondContact O-N 3.37Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.45Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-ND1 3.05Å |
| 115 | V | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -31.3 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 112 | T45 L48 V49 T111 H117 G118 F184 | T45-V115 HydrophobicContact CG2-CG1 3.75Å; L48-V115 HydrophobicContact CB-CB 4.44Å; L48-V115 HydrophobicContact CB-CG2 4.06Å; L48-V115 WeakPolarHBondContact CD1-O 3.47Å; V49-V115 HydrophobicContact CG2-CG2 3.75Å; T111-V115 HydrophobicContact CG2-CG2 4.18Å; T111-V115 WeakPolarHBondContact O-CB 3.49Å; T111-V115 VanDerWaalsContact O-CG2 3.27Å; T111-V115 WeakPolarHBondContact O-CG2 3.19Å; T111-V115 PolarHBondContact O-N 3.02Å; V115-H117 PolarHBondContact O-N 3.2Å; V115-G118 PolarHBondContact O-N 2.98Å; V115-G118 VanDerWaalsContact O-N 3.1Å; V115-F184 HydrophobicContact CB-CE1 4.37Å; V115-F184 HydrophobicContact CG1-CD1 4.41Å; V115-F184 HydrophobicContact CG1-CE1 3.57Å; V115-F184 HydrophobicContact CG1-CZ 4.37Å |
| 116 | S | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.1 | -24.1 | 179.2 | 77 | 0 | 0 | 0 | 0 | 114.8 | D112 E113 L114 G118 E119 L120 | D112-S116 WeakPolarHBondContact O-CB 3.2Å; D112-S116 PolarHBondContact O-N 2.91Å; D112-S116 VanDerWaalsContact O-N 3.12Å; E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 3.41Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.45Å; S116-G118 PolarHBondContact O-N 3Å; S116-E119 PolarHBondContact O-N 2.73Å; S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 2.9Å |
| 117 | H | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -25.7 | -179.8 | -69.9 | 70.1 | 0 | 0 | 0 | 112.3 | N94 I95 L98 E113 L114 V115 L120 M121 | N94-H117 WeakPolarHBondContact CB-NE2 3.5Å; I95-H117 HydrophobicContact CD1-CB 3.68Å; I95-H117 HydrophobicContact CG1-CB 3.65Å; L98-H117 VanDerWaalsContact CD1-CE1 3.49Å; L98-H117 WeakPolarHBondContact CD1-CE1 3.42Å; E113-H117 PolarHBondContact O-CE1 3.3Å; E113-H117 VanDerWaalsContact O-CE1 3.32Å; E113-H117 PolarHBondContact O-ND1 3.39Å; E113-H117 IonicContact OE1-CE1 2.73Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-ND1 3.05Å; V115-H117 PolarHBondContact O-N 3.2Å; H117-L120 PolarHBondContact O-N 3.12Å; H117-M121 HydrophobicContact CB-CE 4.4Å; H117-M121 WeakPolarHBondContact O-CE 3.37Å; H117-M121 WeakPolarHBondContact O-CG 3.47Å; H117-M121 PolarHBondContact O-N 2.96Å |
| 118 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A40 V115 S116 S122 | A40-G118 VanDerWaalsContact CB-C 3.46Å; V115-G118 PolarHBondContact O-N 2.98Å; V115-G118 VanDerWaalsContact O-N 3.1Å; S116-G118 PolarHBondContact O-N 3Å; G118-S122 PolarHBondContact O-N 3.47Å; G118-S122 VanDerWaalsContact O-N 3.12Å; G118-S122 PolarHBondContact O-OG 2.9Å |
| 119 | E | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.019 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.6 | -33.9 | 177 | -72.2 | 73.1 | -164.4 | 0 | 0 | 112.7 | A40 S116 S122 T123 Q182 G183 | A40-E119 PolarHBondContact N-OE1 2.72Å; S116-E119 PolarHBondContact O-N 2.73Å; E119-S122 PolarHBondContact O-OG 3.12Å; E119-T123 WeakPolarHBondContact O-CB 3.28Å; E119-T123 VanDerWaalsContact O-CG2 3.26Å; E119-T123 WeakPolarHBondContact O-CG2 3.31Å; E119-T123 PolarHBondContact O-N 3.32Å; E119-T123 VanDerWaalsContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.1Å; E119-Q182 HydrophobicContact CB-CB 3.76Å; E119-Q182 HydrophobicContact CB-CG 3.88Å; E119-G183 WeakPolarHBondContact CG-O 3.33Å |
| 120 | L | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 8.8 Ų | 8.8 | 4% | 0.042 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.5 | -68.1 | 173.1 | 0 | 0 | 0 | 110.6 | L91 S116 H117 T123 L124 W139 Q182 I185 | L91-L120 HydrophobicContact CD1-CB 4.09Å; L91-L120 HydrophobicContact CD2-CD1 4.37Å; S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 2.9Å; H117-L120 PolarHBondContact O-N 3.12Å; L120-T123 PolarHBondContact O-OG1 3.29Å; L120-T123 VanDerWaalsContact O-OG1 3.04Å; L120-L124 WeakPolarHBondContact O-CD1 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-L124 VanDerWaalsContact O-N 3.13Å; L120-W139 HydrophobicContact CD2-CH2 4.21Å; L120-W139 HydrophobicContact CD2-CZ2 3.8Å; L120-Q182 HydrophobicContact CD2-CG 4.03Å; L120-I185 HydrophobicContact CD2-CD1 4.36Å |
| 121 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.9 | -45.6 | 179.6 | -67.4 | -178.2 | -66.4 | 0 | 0 | 112.2 | I67 Q71 I88 L91 L92 I95 H117 T123 L124 L125 | I67-M121 HydrophobicContact CG2-CE 4.09Å; Q71-M121 HydrophobicContact CG-CE 4.07Å; Q71-M121 HydrophobicContact CG-SD 3.73Å; I88-M121 HydrophobicContact CD1-CB 4.19Å; I88-M121 HydrophobicContact CD1-CG 4.2Å; L91-M121 HydrophobicContact CB-CG 4.08Å; L91-M121 HydrophobicContact CB-SD 4.35Å; L91-M121 HydrophobicContact CD1-CG 3.65Å; L92-M121 HydrophobicContact CD2-SD 4.12Å; L92-M121 HydrophobicContact CG-SD 4.36Å; I95-M121 HydrophobicContact CD1-CE 3.65Å; I95-M121 HydrophobicContact CD1-SD 4.15Å; H117-M121 HydrophobicContact CB-CE 4.4Å; H117-M121 WeakPolarHBondContact O-CE 3.37Å; H117-M121 WeakPolarHBondContact O-CG 3.47Å; H117-M121 PolarHBondContact O-N 2.96Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 2.91Å; M121-L124 PolarHBondContact O-N 2.97Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.88Å |
| 122 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | -177.8 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | S39 G118 E119 F126 | S39-S122 WeakPolarHBondContact O-CB 3.27Å; S39-S122 PolarHBondContact O-OG 3.38Å; G118-S122 PolarHBondContact O-N 3.47Å; G118-S122 VanDerWaalsContact O-N 3.12Å; G118-S122 PolarHBondContact O-OG 2.9Å; E119-S122 PolarHBondContact O-OG 3.12Å; S122-F126 VanDerWaalsContact O-CB 3.28Å; S122-F126 WeakPolarHBondContact O-CB 3.49Å; S122-F126 PolarHBondContact O-N 3Å |
| 123 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.7 | -37.1 | 178 | 54 | 0 | 0 | 0 | 0 | 113.5 | L38 E119 L120 M121 F126 V127 W139 I180 T181 Q182 | L38-T123 HydrophobicContact CB-CG2 3.75Å; L38-T123 HydrophobicContact CD1-CG2 3.96Å; L38-T123 HydrophobicContact CG-CG2 4Å; E119-T123 WeakPolarHBondContact O-CB 3.28Å; E119-T123 VanDerWaalsContact O-CG2 3.26Å; E119-T123 WeakPolarHBondContact O-CG2 3.31Å; E119-T123 PolarHBondContact O-N 3.32Å; E119-T123 VanDerWaalsContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.1Å; L120-T123 PolarHBondContact O-OG1 3.29Å; L120-T123 VanDerWaalsContact O-OG1 3.04Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 2.91Å; T123-F126 PolarHBondContact O-N 3.34Å; T123-V127 VanDerWaalsContact O-CG2 3.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.22Å; T123-W139 PolarHBondContact OG1-NE1 2.66Å; T123-I180 HydrophobicContact CG2-CG2 4.2Å; T123-T181 VanDerWaalsContact CG2-O 3.3Å; T123-T181 WeakPolarHBondContact CG2-O 3.35Å; T123-Q182 HydrophobicContact CG2-CG 4.03Å; T123-Q182 PolarHBondContact OG1-NE2 3.05Å |
| 124 | L | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 8% | 0.079 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 175 | -71.9 | 166.8 | 0 | 0 | 0 | 111 | I84 E87 I88 L91 L120 M121 F126 V127 E128 W139 | I84-L124 HydrophobicContact CD1-CB 4.28Å; I84-L124 HydrophobicContact CD1-CD2 4.18Å; I84-L124 HydrophobicContact CG1-CB 4.26Å; E87-L124 HydrophobicContact CG-CD1 3.73Å; I88-L124 HydrophobicContact CD1-CB 4.36Å; I88-L124 HydrophobicContact CD1-CD1 4.49Å; L91-L124 HydrophobicContact CD1-CD1 3.58Å; L120-L124 WeakPolarHBondContact O-CD1 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-L124 VanDerWaalsContact O-N 3.13Å; M121-L124 PolarHBondContact O-N 2.97Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.4Å; L124-V127 PolarHBondContact O-N 3.14Å; L124-E128 PolarHBondContact O-N 3.11Å; L124-W139 HydrophobicContact CD2-CD2 3.84Å; L124-W139 HydrophobicContact CD2-CG 3.88Å; L124-W139 HydrophobicContact CD2-CZ2 4.24Å; L124-W139 HydrophobicContact CG-CZ2 4.42Å |
| 125 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.1 | -69.3 | 167.5 | 0 | 0 | 0 | 112 | M20 I74 L75 L78 I84 I88 M121 V127 E128 I129 | M20-L125 HydrophobicContact CE-CB 4.22Å; M20-L125 HydrophobicContact SD-CB 4.24Å; I74-L125 HydrophobicContact CB-CD1 4.05Å; I74-L125 HydrophobicContact CD1-CD1 4.21Å; I74-L125 HydrophobicContact CG2-CB 4.19Å; I74-L125 HydrophobicContact CG2-CD1 4.01Å; I74-L125 HydrophobicContact CG2-CD2 4.32Å; I74-L125 HydrophobicContact CG2-CG 4.41Å; L75-L125 HydrophobicContact CB-CD2 4.15Å; L75-L125 HydrophobicContact CD1-CD2 4.11Å; L78-L125 HydrophobicContact CD1-CD2 4.35Å; I84-L125 HydrophobicContact CG2-CD2 4.48Å; I88-L125 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD2 4.24Å; I88-L125 HydrophobicContact CD1-CG 4.03Å; I88-L125 HydrophobicContact CG1-CD2 4.24Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.88Å; L125-V127 PolarHBondContact O-N 3.09Å; L125-E128 PolarHBondContact O-N 3.33Å; L125-I129 PolarHBondContact O-N 2.95Å; L125-I129 VanDerWaalsContact O-N 3.13Å |
| 126 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -36.3 | -179.6 | -166.8 | -97.9 | 0 | 0 | 0 | 113.2 | M20 A24 V27 V36 L38 S122 T123 L124 E128 I129 L130 I180 | M20-F126 HydrophobicContact CB-CD2 3.88Å; M20-F126 HydrophobicContact CB-CE2 4.22Å; M20-F126 HydrophobicContact CG-CD2 3.99Å; M20-F126 VanDerWaalsContact O-CE2 3.28Å; M20-F126 WeakPolarHBondContact O-CE2 3.33Å; M20-F126 HydrophobicContact SD-CD2 4.42Å; A24-F126 HydrophobicContact CB-CE2 4.34Å; A24-F126 HydrophobicContact CB-CZ 4.12Å; V27-F126 HydrophobicContact CG2-CZ 4.45Å; V36-F126 HydrophobicContact CG1-CE1 4.2Å; L38-F126 HydrophobicContact CD1-CB 3.39Å; L38-F126 HydrophobicContact CD1-CD1 3.82Å; L38-F126 HydrophobicContact CD1-CD2 4.04Å; L38-F126 HydrophobicContact CD1-CG 3.49Å; L38-F126 VanDerWaalsContact CD1-CG 3.49Å; S122-F126 VanDerWaalsContact O-CB 3.28Å; S122-F126 WeakPolarHBondContact O-CB 3.49Å; S122-F126 PolarHBondContact O-N 3Å; T123-F126 PolarHBondContact O-N 3.34Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.4Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.37Å; F126-I129 PolarHBondContact O-N 3.07Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.58Å; F126-L130 HydrophobicContact CE1-CG 4.11Å; F126-L130 PolarHBondContact O-N 3.37Å; F126-L130 VanDerWaalsContact O-N 3.12Å; F126-I180 HydrophobicContact CD1-CD1 4.08Å; F126-I180 HydrophobicContact CD1-CG1 4.27Å; F126-I180 HydrophobicContact CD1-CG2 3.99Å; F126-I180 HydrophobicContact CE1-CD1 4.1Å |
| 127 | V | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 174.5 | 165.9 | 0 | 0 | 0 | 0 | 111.1 | T123 L124 L125 L130 R131 W139 I180 | T123-V127 VanDerWaalsContact O-CG2 3.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.22Å; L124-V127 PolarHBondContact O-N 3.14Å; L125-V127 PolarHBondContact O-N 3.09Å; V127-L130 PolarHBondContact O-N 3.14Å; V127-R131 HydrophobicContact CG1-CG 4.38Å; V127-R131 VanDerWaalsContact CG1-CZ 3.49Å; V127-R131 WeakPolarHBondContact O-CG 3.41Å; V127-R131 PolarHBondContact O-N 2.62Å; V127-W139 HydrophobicContact CG1-CB 4.37Å; V127-W139 HydrophobicContact CG2-CB 3.88Å; V127-W139 HydrophobicContact CG2-CG 4.35Å; V127-I180 HydrophobicContact CG2-CB 3.43Å; V127-I180 VanDerWaalsContact CG2-CB 3.43Å; V127-I180 HydrophobicContact CG2-CG1 3.43Å; V127-I180 VanDerWaalsContact CG2-CG1 3.43Å; V127-I180 HydrophobicContact CG2-CG2 3.98Å |
| 128 | E | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 177.4 | -63.5 | -47.9 | 130.3 | 0 | 0 | 112.4 | L78 V83 I84 L124 L125 F126 L130 R131 E132 | L78-E128 HydrophobicContact CD1-CB 4.04Å; L78-E128 HydrophobicContact CD2-CB 4.4Å; V83-E128 HydrophobicContact CG2-CG 4.04Å; V83-E128 VanDerWaalsContact CG2-OE2 3.3Å; V83-E128 WeakPolarHBondContact CG2-OE2 3.43Å; I84-E128 HydrophobicContact CB-CG 3.88Å; I84-E128 HydrophobicContact CG1-CG 4.17Å; I84-E128 HydrophobicContact CG2-CG 4.01Å; L124-E128 PolarHBondContact O-N 3.11Å; L125-E128 PolarHBondContact O-N 3.33Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.37Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.21Å; E128-R131 PolarHBondContact O-N 3.27Å; E128-R131 IonicContact OE1-CZ 3.32Å; E128-R131 IonicContact OE1-NE 3.03Å; E128-R131 IonicContact OE1-NH1 2.69Å; E128-R131 PolarHBondContact OE1-NH1 2.75Å; E128-E132 WeakPolarHBondContact O-CB 3.19Å; E128-E132 WeakPolarHBondContact O-CG 3.25Å; E128-E132 PolarHBondContact O-N 3.12Å |
| 129 | I | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -42.2 | 172.4 | -69.9 | 172 | 0 | 0 | 0 | 111.3 | F17 M20 A24 L78 L125 F126 R133 | F17-I129 HydrophobicContact CD2-CD1 4.22Å; F17-I129 HydrophobicContact CE2-CD1 4.5Å; F17-I129 HydrophobicContact CE2-CG1 4.37Å; M20-I129 HydrophobicContact CB-CD1 3.38Å; M20-I129 HydrophobicContact CG-CD1 4.12Å; M20-I129 HydrophobicContact SD-CD1 3.61Å; A24-I129 HydrophobicContact CB-CG2 4.3Å; L78-I129 HydrophobicContact CD2-CD1 4.45Å; L78-I129 HydrophobicContact CD2-CG1 3.54Å; L125-I129 PolarHBondContact O-N 2.95Å; L125-I129 VanDerWaalsContact O-N 3.13Å; F126-I129 PolarHBondContact O-N 3.07Å; I129-R133 WeakPolarHBondContact O-CD 3.29Å; I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 2.68Å |
| 130 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -43.5 | 177 | -72.8 | 167.8 | 0 | 0 | 0 | 112.2 | A24 L28 F126 V127 E128 E132 R133 V135 A137 L178 I180 | A24-L130 HydrophobicContact CB-CD2 3.89Å; L28-L130 HydrophobicContact CD1-CD2 4.36Å; L28-L130 HydrophobicContact CD2-CD2 4.35Å; L28-L130 HydrophobicContact CG-CD2 4.36Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.58Å; F126-L130 HydrophobicContact CE1-CG 4.11Å; F126-L130 PolarHBondContact O-N 3.37Å; F126-L130 VanDerWaalsContact O-N 3.12Å; V127-L130 PolarHBondContact O-N 3.14Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.21Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.06Å; L130-R133 CarbonylContact O-C 3.57Å; L130-R133 WeakPolarHBondContact O-CA 3.39Å; L130-R133 WeakPolarHBondContact O-CB 3.3Å; L130-R133 PolarHBondContact O-N 2.72Å; L130-V135 HydrophobicContact CB-CB 4.22Å; L130-V135 HydrophobicContact CD2-CG2 4.45Å; L130-V135 VanDerWaalsContact O-CB 3.3Å; L130-V135 WeakPolarHBondContact O-CB 3.37Å; L130-V135 PolarHBondContact O-N 2.86Å; L130-V135 VanDerWaalsContact O-N 3.14Å; L130-A137 HydrophobicContact CB-CB 3.75Å; L130-A137 HydrophobicContact CD1-CB 3.94Å; L130-L178 HydrophobicContact CD1-CD2 3.66Å; L130-L178 HydrophobicContact CD2-CD2 4.22Å; L130-I180 HydrophobicContact CD1-CD1 3.44Å; L130-I180 VanDerWaalsContact CD1-CD1 3.44Å; L130-I180 HydrophobicContact CD1-CG1 3.81Å |
| 131 | R | 97.7 | Very high | 98 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 178.8 | -75.7 | 171.5 | 175.1 | 176.2 | -4.6 | 112.5 | V127 E128 R133 D134 A137 | V127-R131 HydrophobicContact CG1-CG 4.38Å; V127-R131 VanDerWaalsContact CG1-CZ 3.49Å; V127-R131 WeakPolarHBondContact O-CG 3.41Å; V127-R131 PolarHBondContact O-N 2.62Å; E128-R131 PolarHBondContact O-N 3.27Å; E128-R131 IonicContact OE1-CZ 3.32Å; E128-R131 IonicContact OE1-NE 3.03Å; E128-R131 IonicContact OE1-NH1 2.69Å; E128-R131 PolarHBondContact OE1-NH1 2.75Å; R131-R133 PolarHBondContact O-N 2.82Å; R131-D134 PolarHBondContact O-N 3.44Å; R131-A137 PolarHBondContact NE-O 3.03Å; R131-A137 PolarHBondContact NH2-O 3.12Å |
| 132 | E | 97.4 | Very high | 98 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -34.4 | 173.4 | -80.8 | -170.6 | -174.1 | 0 | 0 | 111.8 | L78 R79 Y80 E128 L130 D134 | L78-E132 WeakPolarHBondContact CB-OE1 3.43Å; R79-E132 WeakPolarHBondContact CA-OE1 3.36Å; R79-E132 HydrophobicContact CB-CG 4.38Å; R79-E132 WeakPolarHBondContact CB-OE1 3.32Å; R79-E132 WeakPolarHBondContact CB-OE2 3.5Å; R79-E132 WeakPolarHBondContact CG-OE2 3.26Å; R79-E132 PolarHBondContact N-OE1 3.48Å; R79-E132 PolarHBondContact N-OE2 3.07Å; R79-E132 VanDerWaalsContact N-OE2 3.07Å; R79-E132 IonicContact NE-OE2 2.79Å; R79-E132 PolarHBondContact NE-OE2 2.94Å; R79-E132 PolarHBondContact NH1-O 3.02Å; R79-E132 PolarHBondContact NH2-O 3.13Å; Y80-E132 HydrophobicContact CD2-CG 4.07Å; Y80-E132 PolarHBondContact N-OE1 3.23Å; E128-E132 WeakPolarHBondContact O-CB 3.19Å; E128-E132 WeakPolarHBondContact O-CG 3.25Å; E128-E132 PolarHBondContact O-N 3.12Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.06Å; E132-D134 PolarHBondContact O-N 3.28Å |
| 133 | R | 96.3 | Very high | 98 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 18.9 | 176.3 | -62.7 | 164.1 | 166.9 | -131.5 | -1.5 | 113.2 | N21 D25 I129 L130 R131 V135 | N21-R133 VanDerWaalsContact CB-NH2 3.31Å; N21-R133 PolarHBondContact O-NH2 2.84Å; N21-R133 VanDerWaalsContact O-NH2 3.11Å; N21-R133 PolarHBondContact OD1-NE 3.33Å; N21-R133 PolarHBondContact OD1-NH2 3.04Å; D25-R133 IonicContact OD1-CZ 2.94Å; D25-R133 IonicContact OD1-NH1 3.23Å; D25-R133 PolarHBondContact OD1-NH1 3.38Å; D25-R133 IonicContact OD1-NH2 3.79Å; D25-R133 PolarHBondContact OD1-NH2 3.42Å; I129-R133 WeakPolarHBondContact O-CD 3.29Å; I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 2.68Å; L130-R133 CarbonylContact O-C 3.57Å; L130-R133 WeakPolarHBondContact O-CA 3.39Å; L130-R133 WeakPolarHBondContact O-CB 3.3Å; L130-R133 PolarHBondContact O-N 2.72Å; R131-R133 PolarHBondContact O-N 2.82Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 2.77Å |
| 134 | D | 96.3 | Very high | 98 | Very high | 156 Ų | 156 | 39.2 Ų | 39.2 | 83% | 0.834 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25.8 | -179.4 | -57.6 | -64.1 | 0 | 0 | 0 | 113.7 | R131 E132 | R131-D134 PolarHBondContact O-N 3.44Å; E132-D134 PolarHBondContact O-N 3.28Å |
| 135 | V | 97.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | trans | -90.6 | 129.4 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L28 L130 R133 A137 L178 | L28-V135 HydrophobicContact CD1-CG2 3.83Å; L28-V135 HydrophobicContact CD2-CB 4.37Å; L28-V135 HydrophobicContact CD2-CG1 3.93Å; L28-V135 HydrophobicContact CD2-CG2 3.51Å; L28-V135 HydrophobicContact CG-CG2 4.31Å; L130-V135 HydrophobicContact CB-CB 4.22Å; L130-V135 HydrophobicContact CD2-CG2 4.45Å; L130-V135 VanDerWaalsContact O-CB 3.3Å; L130-V135 WeakPolarHBondContact O-CB 3.37Å; L130-V135 PolarHBondContact O-N 2.86Å; L130-V135 VanDerWaalsContact O-N 3.14Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 2.77Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.89Å; V135-L178 HydrophobicContact CG1-CD2 4.12Å | ||
| 136 | Q | 95.3 | Very high | 97.9 | Very high | 131 Ų | 131 | 38.5 Ų | 38.5 | 61% | 0.612 | 17% | 0.174 | S | C | * | . | trans | -71.5 | 84.4 | 171.1 | -170.5 | -177 | -29.2 | 0 | 0 | 110.3 | E176 L178 | Q136-E176 PolarHBondContact NE2-O 3.34Å; Q136-L178 PolarHBondContact O-N 2.97Å; Q136-L178 VanDerWaalsContact O-N 3.16Å | ||
| 137 | A | 97.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L130 R131 V135 L178 | L130-A137 HydrophobicContact CB-CB 3.75Å; L130-A137 HydrophobicContact CD1-CB 3.94Å; R131-A137 PolarHBondContact NE-O 3.03Å; R131-A137 PolarHBondContact NH2-O 3.12Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.89Å; A137-L178 CarbonylContact C-O 3.55Å; A137-L178 WeakPolarHBondContact CA-O 3.49Å |
| 138 | Q | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 16% | 0.164 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.4 | 176.3 | -53.3 | -168.8 | 21.3 | 0 | 0 | 110.1 | E176 L178 V179 I180 | Q138-E176 PolarHBondContact NE2-OE2 3.17Å; Q138-L178 PolarHBondContact N-O 2.96Å; Q138-V179 HydrophobicContact CB-CG2 4.43Å; Q138-V179 WeakPolarHBondContact O-CA 3.43Å; Q138-I180 PolarHBondContact O-N 3.31Å |
| 139 | W | 98.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 27% | 0.269 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.8 | 167.4 | -172 | 86.8 | 0 | 0 | 0 | 109.6 | L120 T123 L124 V127 D141 Q182 | L120-W139 HydrophobicContact CD2-CH2 4.21Å; L120-W139 HydrophobicContact CD2-CZ2 3.8Å; T123-W139 PolarHBondContact OG1-NE1 2.66Å; L124-W139 HydrophobicContact CD2-CD2 3.84Å; L124-W139 HydrophobicContact CD2-CG 3.88Å; L124-W139 HydrophobicContact CD2-CZ2 4.24Å; L124-W139 HydrophobicContact CG-CZ2 4.42Å; V127-W139 HydrophobicContact CG1-CB 4.37Å; V127-W139 HydrophobicContact CG2-CB 3.88Å; V127-W139 HydrophobicContact CG2-CG 4.35Å; W139-D141 HydrophobicContact CH2-CB 3.66Å; W139-D141 HydrophobicContact CZ3-CB 3.76Å; W139-Q182 VanDerWaalsContact CZ2-NE2 3.26Å; W139-Q182 VanDerWaalsContact NE1-NE2 3.14Å |
| 140 | F | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.4 | 177.2 | -174.2 | -97.1 | 0 | 0 | 0 | 110.5 | V142 K144 V145 Q169 L170 V179 I180 T181 Q182 | F140-V142 PolarHBondContact O-N 3.11Å; F140-K144 HydrophobicContact CE1-CB 4.4Å; F140-K144 HydrophobicContact CE2-CD 4.22Å; F140-K144 HydrophobicContact CZ-CB 3.9Å; F140-K144 HydrophobicContact CZ-CD 4.33Å; F140-V145 HydrophobicContact CE1-CG1 3.87Å; F140-V145 HydrophobicContact CE1-CG2 4.01Å; F140-V145 HydrophobicContact CZ-CG1 3.69Å; F140-Q169 HydrophobicContact CE2-CB 4.5Å; F140-Q169 HydrophobicContact CZ-CB 4.36Å; F140-L170 HydrophobicContact CD1-CD1 3.87Å; F140-L170 HydrophobicContact CD2-CD1 4.48Å; F140-L170 HydrophobicContact CE1-CD1 4.12Å; F140-L170 HydrophobicContact CG-CD1 4.05Å; F140-V179 HydrophobicContact CB-CG1 3.47Å; F140-V179 VanDerWaalsContact CB-CG1 3.47Å; F140-V179 HydrophobicContact CG-CG1 4.31Å; F140-I180 PolarHBondContact N-O 2.81Å; F140-T181 PolarHBondContact O-OG1 3.5Å; F140-Q182 PolarHBondContact O-NE2 3.39Å; F140-Q182 PolarHBondContact O-OE1 3.5Å |
| 141 | D | 98.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | trans | -81 | 110.8 | 174.2 | -168.5 | -29.2 | 0 | 0 | 0 | 109.8 | W139 R143 K144 | W139-D141 HydrophobicContact CH2-CB 3.66Å; W139-D141 HydrophobicContact CZ3-CB 3.76Å; D141-R143 PolarHBondContact O-N 2.98Å; D141-R143 VanDerWaalsContact O-N 3.13Å; D141-R143 VanDerWaalsContact OD1-CB 3.23Å; D141-R143 WeakPolarHBondContact OD1-CB 3.41Å; D141-R143 WeakPolarHBondContact OD1-CG 3.37Å; D141-R143 IonicContact OD1-CZ 3.78Å; D141-R143 PolarHBondContact OD1-N 2.96Å; D141-R143 IonicContact OD1-NE 2.92Å; D141-R143 PolarHBondContact OD1-NE 2.82Å; D141-R143 IonicContact OD1-NH2 3.74Å; D141-R143 IonicContact OD2-CZ 3.42Å; D141-R143 IonicContact OD2-NE 3.26Å; D141-R143 PolarHBondContact OD2-NE 2.67Å; D141-R143 IonicContact OD2-NH2 2.74Å; D141-R143 PolarHBondContact OD2-NH2 3.28Å; D141-K144 HydrophobicContact CB-CD 4.3Å; D141-K144 HydrophobicContact CB-CG 4.32Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 WeakPolarHBondContact O-CG 3.37Å; D141-K144 PolarHBondContact O-N 3Å; D141-K144 VanDerWaalsContact O-N 3.13Å | ||
| 142 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.5 | -27.1 | -176.3 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | F140 K144 V145 M146 T181 Q182 I185 T204 L208 | F140-V142 PolarHBondContact O-N 3.11Å; V142-K144 PolarHBondContact O-N 3.41Å; V142-V145 HydrophobicContact CG2-CG2 4.45Å; V142-V145 WeakPolarHBondContact O-CG2 3.28Å; V142-V145 PolarHBondContact O-N 3.27Å; V142-M146 HydrophobicContact CG2-CB 4.07Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 PolarHBondContact O-N 3.05Å; V142-T181 VanDerWaalsContact CB-OG1 3.28Å; V142-T181 WeakPolarHBondContact CB-OG1 3.32Å; V142-Q182 HydrophobicContact CB-CB 4.49Å; V142-Q182 HydrophobicContact CG1-CB 3.96Å; V142-I185 HydrophobicContact CG1-CD1 4.07Å; V142-I185 HydrophobicContact CG1-CG1 3.41Å; V142-I185 VanDerWaalsContact CG1-CG1 3.41Å; V142-I185 WeakPolarHBondContact CG1-O 3.33Å; V142-T204 HydrophobicContact CG2-CG2 4.15Å; V142-L208 HydrophobicContact CG2-CD1 4.16Å |
| 143 | R | 98.6 | Very high | 97.3 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 18% | 0.177 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -63.7 | -14.7 | -179.3 | -63.1 | 176 | -68.8 | -172.5 | -2.4 | 113.1 | D141 V145 I185 T193 | D141-R143 PolarHBondContact O-N 2.98Å; D141-R143 VanDerWaalsContact O-N 3.13Å; D141-R143 VanDerWaalsContact OD1-CB 3.23Å; D141-R143 WeakPolarHBondContact OD1-CB 3.41Å; D141-R143 WeakPolarHBondContact OD1-CG 3.37Å; D141-R143 IonicContact OD1-CZ 3.78Å; D141-R143 PolarHBondContact OD1-N 2.96Å; D141-R143 IonicContact OD1-NE 2.92Å; D141-R143 PolarHBondContact OD1-NE 2.82Å; D141-R143 IonicContact OD1-NH2 3.74Å; D141-R143 IonicContact OD2-CZ 3.42Å; D141-R143 IonicContact OD2-NE 3.26Å; D141-R143 PolarHBondContact OD2-NE 2.67Å; D141-R143 IonicContact OD2-NH2 2.74Å; D141-R143 PolarHBondContact OD2-NH2 3.28Å; R143-V145 VanDerWaalsContact C-N 3.32Å; R143-I185 HydrophobicContact CG-CD1 4.18Å; R143-I185 HydrophobicContact CG-CG1 4.23Å; R143-T193 PolarHBondContact NH1-OG1 2.67Å |
| 144 | K | 98.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -71.7 | -25.2 | 173.6 | -66 | 178.3 | 180 | 176.2 | 0 | 113.1 | F140 D141 V142 | F140-K144 HydrophobicContact CE1-CB 4.4Å; F140-K144 HydrophobicContact CE2-CD 4.22Å; F140-K144 HydrophobicContact CZ-CB 3.9Å; F140-K144 HydrophobicContact CZ-CD 4.33Å; D141-K144 HydrophobicContact CB-CD 4.3Å; D141-K144 HydrophobicContact CB-CG 4.32Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 WeakPolarHBondContact O-CG 3.37Å; D141-K144 PolarHBondContact O-N 3Å; D141-K144 VanDerWaalsContact O-N 3.13Å; V142-K144 PolarHBondContact O-N 3.41Å |
| 145 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -32.9 | -178.2 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | F140 V142 R143 R147 L162 L165 Q169 L208 | F140-V145 HydrophobicContact CE1-CG1 3.87Å; F140-V145 HydrophobicContact CE1-CG2 4.01Å; F140-V145 HydrophobicContact CZ-CG1 3.69Å; V142-V145 HydrophobicContact CG2-CG2 4.45Å; V142-V145 WeakPolarHBondContact O-CG2 3.28Å; V142-V145 PolarHBondContact O-N 3.27Å; R143-V145 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 2.71Å; V145-L162 HydrophobicContact CB-CD1 3.99Å; V145-L162 HydrophobicContact CG2-CD1 3.84Å; V145-L162 WeakPolarHBondContact O-CD1 3.28Å; V145-L165 HydrophobicContact CB-CB 3.99Å; V145-L165 HydrophobicContact CG1-CB 3.94Å; V145-Q169 HydrophobicContact CG1-CB 4.28Å; V145-L208 HydrophobicContact CG2-CD2 4.1Å |
| 146 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -81.7 | 79.4 | -179 | -169.9 | 65.8 | 70.8 | 0 | 0 | 111 | V142 T148 P157 L162 G186 S187 T204 L207 L208 | V142-M146 HydrophobicContact CG2-CB 4.07Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 PolarHBondContact O-N 3.05Å; M146-T148 HydrophobicContact CG-CG2 4.45Å; M146-P157 HydrophobicContact SD-CB 3.93Å; M146-L162 HydrophobicContact CE-CD1 4.27Å; M146-L162 HydrophobicContact CE-CD2 4Å; M146-L162 HydrophobicContact SD-CD1 4.39Å; M146-L162 HydrophobicContact SD-CD2 4.07Å; M146-G186 CarbonylContact O-C 3.47Å; M146-G186 WeakPolarHBondContact O-CA 3.23Å; M146-S187 PolarHBondContact O-N 3.14Å; M146-T204 HydrophobicContact CE-CG2 3.97Å; M146-L207 HydrophobicContact CE-CB 3.97Å; M146-L207 HydrophobicContact CE-CD1 3.86Å; M146-L207 HydrophobicContact SD-CD1 3.91Å; M146-L208 HydrophobicContact CE-CG 4.34Å | ||
| 147 | R | 98.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 45 Ų | 45 | 29% | 0.287 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.9 | 173.7 | -63.1 | -60 | 178.5 | -166.3 | -4.2 | 111.1 | V145 P157 D158 A161 L165 S187 | V145-R147 PolarHBondContact O-N 2.71Å; R147-P157 CarbonylContact O-C 3.55Å; R147-P157 WeakPolarHBondContact O-CA 3.41Å; R147-D158 HydrophobicContact CB-CB 4.37Å; R147-D158 PolarHBondContact O-N 2.97Å; R147-A161 HydrophobicContact CB-CB 4.24Å; R147-A161 HydrophobicContact CG-CB 4.38Å; R147-L165 HydrophobicContact CG-CD1 3.7Å; R147-S187 WeakPolarHBondContact CA-O 3.37Å; R147-S187 PolarHBondContact NH1-OG 2.72Å |
| 148 | T | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 167.4 | -175.8 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | M146 A155 E156 S187 E188 T194 L196 | M146-T148 HydrophobicContact CG-CG2 4.45Å; T148-A155 HydrophobicContact CG2-CB 4.16Å; T148-E156 CarbonylContact C-O 3.38Å; T148-E156 WeakPolarHBondContact CA-O 3.47Å; T148-S187 PolarHBondContact N-O 3.33Å; T148-S187 VanDerWaalsContact OG1-C 3.32Å; T148-S187 PolarHBondContact OG1-O 3.29Å; T148-E188 WeakPolarHBondContact O-CA 3.49Å; T148-E188 PolarHBondContact OG1-N 2.95Å; T148-T194 WeakPolarHBondContact OG1-CG2 3.23Å; T148-T194 PolarHBondContact OG1-OG1 2.83Å; T148-L196 HydrophobicContact CG2-CD2 3.91Å |
| 149 | N | 98 | Very high | 97.2 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | trans | -73.9 | 175.6 | 163.3 | 70.1 | 9.7 | 0 | 0 | 0 | 111.7 | R151 A155 E156 | N149-R151 VanDerWaalsContact C-N 3.25Å; N149-R151 PolarHBondContact O-N 2.98Å; N149-R151 VanDerWaalsContact OD1-CB 3.25Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 3.45Å; N149-A155 WeakPolarHBondContact OD1-CA 3.39Å; N149-E156 PolarHBondContact N-O 3.28Å; N149-E156 PolarHBondContact OD1-N 2.97Å | ||
| 150 | D | 96.7 | Very high | 97.1 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -89.1 | 22.8 | -179.1 | 66 | -13.5 | 0 | 0 | 0 | 113.7 | F152 E188 | D150-F152 HydrophobicContact CB-CE2 4.1Å; D150-F152 HydrophobicContact CB-CZ 4.48Å; D150-F152 WeakPolarHBondContact O-CD2 3.49Å; D150-F152 VanDerWaalsContact O-CE2 3.31Å; D150-F152 WeakPolarHBondContact O-CE2 3.28Å; D150-F152 PolarHBondContact O-N 3.08Å; D150-E188 HydrophobicContact CB-CB 4.36Å; D150-E188 HydrophobicContact CB-CG 4.45Å |
| 151 | R | 96.1 | Very high | 97.1 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | trans | -81.3 | 67.5 | 176.5 | -165.2 | -172.5 | -167.6 | -169 | -0.3 | 110.6 | N149 R154 A155 E156 | N149-R151 VanDerWaalsContact C-N 3.25Å; N149-R151 PolarHBondContact O-N 2.98Å; N149-R151 VanDerWaalsContact OD1-CB 3.25Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 3.45Å; R151-R154 HydrophobicContact CG-CG 3.99Å; R151-R154 CarbonylContact O-C 3.49Å; R151-R154 PolarHBondContact O-N 3.45Å; R151-R154 VanDerWaalsContact O-N 3.14Å; R151-A155 VanDerWaalsContact O-CA 3.25Å; R151-A155 WeakPolarHBondContact O-CA 3.34Å; R151-A155 PolarHBondContact O-N 3.3Å; R151-E156 IonicContact CZ-OE1 3.17Å; R151-E156 IonicContact NH1-OE1 2.72Å; R151-E156 PolarHBondContact NH1-OE1 2.67Å | ||
| 152 | F | 95.4 | Very high | 97.1 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 17% | 0.171 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 143.2 | -178.6 | -60.9 | -79 | 0 | 0 | 0 | 113.4 | P108 A109 D112 D150 R154 E188 R192 T193 T194 | P108-F152 HydrophobicContact CB-CB 3.58Å; P108-F152 HydrophobicContact CB-CG 4.48Å; A109-F152 VanDerWaalsContact CA-CD1 3.49Å; A109-F152 HydrophobicContact CB-CD1 3.77Å; A109-F152 HydrophobicContact CB-CD2 3.96Å; A109-F152 HydrophobicContact CB-CE1 3.66Å; A109-F152 HydrophobicContact CB-CE2 3.88Å; A109-F152 HydrophobicContact CB-CG 3.94Å; A109-F152 HydrophobicContact CB-CZ 3.73Å; D112-F152 HydrophobicContact CB-CD1 4.18Å; D112-F152 WeakPolarHBondContact OD2-CA 3.33Å; D112-F152 WeakPolarHBondContact OD2-CB 3.21Å; D112-F152 WeakPolarHBondContact OD2-CD1 3.28Å; D150-F152 HydrophobicContact CB-CE2 4.1Å; D150-F152 HydrophobicContact CB-CZ 4.48Å; D150-F152 WeakPolarHBondContact O-CD2 3.49Å; D150-F152 VanDerWaalsContact O-CE2 3.31Å; D150-F152 WeakPolarHBondContact O-CE2 3.28Å; D150-F152 PolarHBondContact O-N 3.08Å; F152-R154 PolarHBondContact O-N 3.37Å; F152-E188 HydrophobicContact CE1-CG 4.48Å; F152-E188 HydrophobicContact CZ-CG 4.19Å; F152-R192 HydrophobicContact CE1-CB 4.3Å; F152-R192 HydrophobicContact CZ-CB 4.41Å; F152-R192 VanDerWaalsContact CZ-CZ 3.48Å; F152-T193 WeakPolarHBondContact CE1-O 3.43Å; F152-T194 HydrophobicContact CD1-CG2 3.95Å; F152-T194 HydrophobicContact CE1-CG2 3.83Å |
| 153 | G | 91.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -19.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D112 T195 G197 | D112-G153 WeakPolarHBondContact OD1-CA 3.43Å; D112-G153 PolarHBondContact OD1-N 3.02Å; D112-G153 VanDerWaalsContact OD1-N 3.09Å; D112-G153 PolarHBondContact OD2-N 3.3Å; G153-T195 VanDerWaalsContact CA-OG1 3.3Å; G153-T195 WeakPolarHBondContact CA-OG1 3.46Å; G153-G197 VanDerWaalsContact O-CA 3.23Å; G153-G197 WeakPolarHBondContact O-CA 3.32Å; G153-G197 PolarHBondContact O-N 3.25Å |
| 154 | R | 92.7 | Very high | 97.1 | Very high | 146 Ų | 146 | 55.8 Ų | 55.8 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -157.8 | 47 | 179.5 | 58.4 | 172.6 | 177.7 | -174.1 | 2.3 | 111.7 | R151 F152 T195 | R151-R154 HydrophobicContact CG-CG 3.99Å; R151-R154 CarbonylContact O-C 3.49Å; R151-R154 PolarHBondContact O-N 3.45Å; R151-R154 VanDerWaalsContact O-N 3.14Å; F152-R154 PolarHBondContact O-N 3.37Å; R154-T195 PolarHBondContact N-O 3.49Å |
| 155 | A | 96 | Very high | 97.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66 | 142.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T148 N149 R151 T194 T195 L196 | T148-A155 HydrophobicContact CG2-CB 4.16Å; N149-A155 WeakPolarHBondContact OD1-CA 3.39Å; R151-A155 VanDerWaalsContact O-CA 3.25Å; R151-A155 WeakPolarHBondContact O-CA 3.34Å; R151-A155 PolarHBondContact O-N 3.3Å; A155-T194 HydrophobicContact CB-CG2 4.07Å; A155-T195 WeakPolarHBondContact CB-O 3.35Å; A155-T195 PolarHBondContact N-O 3.18Å; A155-L196 WeakPolarHBondContact O-CD2 3.28Å |
| 156 | E | 95.7 | Very high | 97.1 | Very high | 98 Ų | 98 | 53 Ų | 53 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 126.7 | -179.7 | -66.8 | 162.8 | -155.6 | 0 | 0 | 109 | T148 N149 R151 | T148-E156 CarbonylContact C-O 3.38Å; T148-E156 WeakPolarHBondContact CA-O 3.47Å; N149-E156 PolarHBondContact N-O 3.28Å; N149-E156 PolarHBondContact OD1-N 2.97Å; R151-E156 IonicContact CZ-OE1 3.17Å; R151-E156 IonicContact NH1-OE1 2.72Å; R151-E156 PolarHBondContact NH1-OE1 2.67Å |
| 157 | P | 97.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 141.5 | -179.3 | 30.2 | -35.3 | 0 | 0 | 0 | 112.2 | M146 R147 I159 Y203 L207 | M146-P157 HydrophobicContact SD-CB 3.93Å; R147-P157 CarbonylContact O-C 3.55Å; R147-P157 WeakPolarHBondContact O-CA 3.41Å; P157-I159 HydrophobicContact CB-CD1 4.25Å; P157-I159 HydrophobicContact CG-CD1 3.9Å; P157-I159 PolarHBondContact O-N 2.88Å; P157-Y203 HydrophobicContact CG-CE1 3.92Å; P157-Y203 WeakPolarHBondContact CG-OH 3.48Å; P157-L207 HydrophobicContact CB-CD1 4.1Å; P157-L207 HydrophobicContact CB-CD2 4.49Å; P157-L207 HydrophobicContact CG-CD1 3.74Å; P157-L207 HydrophobicContact CG-CD2 3.92Å |
| 158 | D | 98 | Very high | 97 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | trans | -81 | 99.4 | 167 | -174.6 | -24.5 | 0 | 0 | 0 | 109.1 | R147 A160 A161 L162 | R147-D158 HydrophobicContact CB-CB 4.37Å; R147-D158 PolarHBondContact O-N 2.97Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 2.81Å; D158-A160 PolarHBondContact OD1-N 3.36Å; D158-A160 VanDerWaalsContact OD1-N 3.13Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 VanDerWaalsContact CG-CB 3.5Å; D158-A161 PolarHBondContact O-N 2.63Å; D158-A161 PolarHBondContact OD1-N 2.91Å; D158-L162 WeakPolarHBondContact O-CB 3.22Å; D158-L162 PolarHBondContact O-N 3.19Å | ||
| 159 | I | 97.5 | Very high | 97 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | -175.3 | -52.4 | -54.8 | 0 | 0 | 0 | 112 | P157 L162 A163 L207 | P157-I159 HydrophobicContact CB-CD1 4.25Å; P157-I159 HydrophobicContact CG-CD1 3.9Å; P157-I159 PolarHBondContact O-N 2.88Å; I159-L162 PolarHBondContact O-N 3.28Å; I159-A163 PolarHBondContact O-N 3.16Å; I159-L207 HydrophobicContact CD1-CD2 3.34Å |
| 160 | A | 97.9 | Very high | 97 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.4 | -45.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D158 L162 A163 E164 | D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 2.81Å; D158-A160 PolarHBondContact OD1-N 3.36Å; D158-A160 VanDerWaalsContact OD1-N 3.13Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.27Å; A160-A163 PolarHBondContact O-N 3.5Å; A160-E164 PolarHBondContact O-N 2.88Å; A160-E164 VanDerWaalsContact O-N 3.13Å |
| 161 | A | 98.3 | Very high | 97 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R147 D158 A163 E164 L165 | R147-A161 HydrophobicContact CB-CB 4.24Å; R147-A161 HydrophobicContact CG-CB 4.38Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 VanDerWaalsContact CG-CB 3.5Å; D158-A161 PolarHBondContact O-N 2.63Å; D158-A161 PolarHBondContact OD1-N 2.91Å; A161-A163 PolarHBondContact O-N 2.95Å; A161-E164 PolarHBondContact O-N 2.72Å; A161-L165 HydrophobicContact CB-CD1 4.46Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 WeakPolarHBondContact O-CD1 3.46Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.15Å |
| 162 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 176.6 | 177.7 | 61.8 | 0 | 0 | 0 | 111.6 | V145 M146 D158 I159 A160 A166 L207 L208 A211 | V145-L162 HydrophobicContact CB-CD1 3.99Å; V145-L162 HydrophobicContact CG2-CD1 3.84Å; V145-L162 WeakPolarHBondContact O-CD1 3.28Å; M146-L162 HydrophobicContact CE-CD1 4.27Å; M146-L162 HydrophobicContact CE-CD2 4Å; M146-L162 HydrophobicContact SD-CD1 4.39Å; M146-L162 HydrophobicContact SD-CD2 4.07Å; D158-L162 WeakPolarHBondContact O-CB 3.22Å; D158-L162 PolarHBondContact O-N 3.19Å; I159-L162 PolarHBondContact O-N 3.28Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.27Å; L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.95Å; L162-L207 HydrophobicContact CD2-CB 3.73Å; L162-L207 HydrophobicContact CD2-CD2 4.45Å; L162-L208 HydrophobicContact CD1-CD2 4.04Å; L162-A211 HydrophobicContact CD2-CB 4.18Å; L162-A211 HydrophobicContact CG-CB 3.85Å |
| 163 | A | 98.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 55 Ų | 55 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I159 A160 A161 A167 | I159-A163 PolarHBondContact O-N 3.16Å; A160-A163 PolarHBondContact O-N 3.5Å; A161-A163 PolarHBondContact O-N 2.95Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.34Å |
| 164 | E | 98.5 | Very high | 97.4 | Very high | 141 Ų | 141 | 53.5 Ų | 53.5 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 178.4 | -174.3 | -177.5 | 168.3 | 0 | 0 | 111.9 | A160 A161 A167 L168 | A160-E164 PolarHBondContact O-N 2.88Å; A160-E164 VanDerWaalsContact O-N 3.13Å; A161-E164 PolarHBondContact O-N 2.72Å; E164-A167 PolarHBondContact O-N 3.36Å; E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3Å |
| 165 | L | 98.6 | Very high | 97.4 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.2 | -34.8 | -177.3 | -65 | 169.6 | 0 | 0 | 0 | 112 | V145 R147 A161 L168 Q169 | V145-L165 HydrophobicContact CB-CB 3.99Å; V145-L165 HydrophobicContact CG1-CB 3.94Å; R147-L165 HydrophobicContact CG-CD1 3.7Å; A161-L165 HydrophobicContact CB-CD1 4.46Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 WeakPolarHBondContact O-CD1 3.46Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.15Å; L165-L168 PolarHBondContact O-N 3.08Å; L165-Q169 WeakPolarHBondContact O-CB 3.35Å; L165-Q169 PolarHBondContact O-N 3.26Å |
| 166 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -64.1 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | L162 L168 L170 L171 A211 L212 | L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.95Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.39Å; A166-L170 HydrophobicContact CB-CB 4.42Å; A166-L170 CarbonylContact O-C 3.59Å; A166-L170 WeakPolarHBondContact O-CA 3.4Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.05Å; A166-L171 PolarHBondContact O-N 3.23Å; A166-A211 HydrophobicContact CB-CB 3.99Å; A166-L212 HydrophobicContact CB-CD2 4.12Å |
| 167 | A | 97.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -61.6 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A163 E164 P172 | A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.34Å; E164-A167 PolarHBondContact O-N 3.36Å; A167-P172 WeakPolarHBondContact O-CD 3.29Å |
| 168 | L | 98.2 | Very high | 97.1 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 63% | 0.634 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -78 | -39.1 | -177.6 | -176.8 | 63.6 | 0 | 0 | 0 | 113.7 | E164 L165 A166 | E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3Å; L165-L168 PolarHBondContact O-N 3.08Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.39Å |
| 169 | Q | 98.3 | Very high | 97.1 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -117 | -32 | -166.8 | -58.4 | -173.5 | 50.3 | 0 | 0 | 114.1 | F140 V145 L165 R173 | F140-Q169 HydrophobicContact CE2-CB 4.5Å; F140-Q169 HydrophobicContact CZ-CB 4.36Å; V145-Q169 HydrophobicContact CG1-CB 4.28Å; L165-Q169 WeakPolarHBondContact O-CB 3.35Å; L165-Q169 PolarHBondContact O-N 3.26Å; Q169-R173 PolarHBondContact O-NH1 2.9Å |
| 170 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -94.8 | -48.2 | -174.7 | -174.1 | 55.9 | 0 | 0 | 0 | 111.4 | L35 F140 A166 R173 L174 V179 L208 L212 | L35-L170 HydrophobicContact CD1-CD1 4.22Å; L35-L170 HydrophobicContact CD1-CD2 4.4Å; L35-L170 HydrophobicContact CD2-CD2 4.11Å; F140-L170 HydrophobicContact CD1-CD1 3.87Å; F140-L170 HydrophobicContact CD2-CD1 4.48Å; F140-L170 HydrophobicContact CE1-CD1 4.12Å; F140-L170 HydrophobicContact CG-CD1 4.05Å; A166-L170 HydrophobicContact CB-CB 4.42Å; A166-L170 CarbonylContact O-C 3.59Å; A166-L170 WeakPolarHBondContact O-CA 3.4Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.05Å; L170-R173 WeakPolarHBondContact O-CB 3.35Å; L170-R173 PolarHBondContact O-N 2.85Å; L170-L174 HydrophobicContact CG-CD1 4.23Å; L170-L174 HydrophobicContact CG-CG 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.36Å; L170-L174 VanDerWaalsContact O-N 3.07Å; L170-V179 HydrophobicContact CD1-CB 4.46Å; L170-V179 HydrophobicContact CD1-CG1 3.79Å; L170-L208 HydrophobicContact CD2-CD2 3.86Å; L170-L212 HydrophobicContact CD2-CD1 3.96Å; L170-L212 HydrophobicContact CD2-CD2 4.49Å; L170-L212 HydrophobicContact CG-CD1 4.48Å |
| 171 | L | 96.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | -178.4 | -173.7 | 63.8 | 0 | 0 | 0 | 113.8 | I4 A166 R173 L174 N175 L212 | I4-L171 HydrophobicContact CD1-CD1 3.91Å; A166-L171 PolarHBondContact O-N 3.23Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.42Å; L171-L174 PolarHBondContact O-N 3.43Å; L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 3.29Å; L171-L212 HydrophobicContact CB-CD2 4.18Å; L171-L212 HydrophobicContact CD1-CD2 4.3Å |
| 172 | P | 96.9 | Very high | 97.3 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.1 | -25.8 | 36.5 | 0 | 0 | 0 | 113.1 | A167 N175 E176 | A167-P172 WeakPolarHBondContact O-CD 3.29Å; P172-N175 WeakPolarHBondContact O-CB 3.07Å; P172-N175 PolarHBondContact O-N 3.44Å; P172-E176 PolarHBondContact O-N 2.95Å |
| 173 | R | 96.9 | Very high | 97.2 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.1 | -37.2 | 178 | -66.1 | -177.4 | 166.5 | 89.5 | 1.6 | 112.3 | Q169 L170 L171 N175 E176 G177 V179 | Q169-R173 PolarHBondContact O-NH1 2.9Å; L170-R173 WeakPolarHBondContact O-CB 3.35Å; L170-R173 PolarHBondContact O-N 2.85Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.42Å; R173-N175 PolarHBondContact O-N 3.3Å; R173-E176 WeakPolarHBondContact O-CB 3.43Å; R173-E176 PolarHBondContact O-N 3.19Å; R173-G177 PolarHBondContact O-N 3.36Å; R173-V179 HydrophobicContact CB-CG2 3.76Å |
| 174 | L | 96.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -28.7 | 174.7 | -64.7 | 174.9 | 0 | 0 | 0 | 112.3 | I4 R34 L35 L170 L171 E176 V179 L212 | I4-L174 HydrophobicContact CD1-CD1 4.36Å; R34-L174 HydrophobicContact CB-CB 4.5Å; R34-L174 HydrophobicContact CB-CD2 3.98Å; R34-L174 VanDerWaalsContact CZ-O 3.31Å; R34-L174 PolarHBondContact NE-O 3.08Å; R34-L174 PolarHBondContact NH2-O 3.22Å; R34-L174 WeakPolarHBondContact O-CD2 3.29Å; L35-L174 HydrophobicContact CB-CD2 3.86Å; L35-L174 HydrophobicContact CD1-CD2 4.23Å; L170-L174 HydrophobicContact CG-CD1 4.23Å; L170-L174 HydrophobicContact CG-CG 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.36Å; L170-L174 VanDerWaalsContact O-N 3.07Å; L171-L174 PolarHBondContact O-N 3.43Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-V179 HydrophobicContact CD2-CB 3.73Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.25Å; L174-L212 HydrophobicContact CD1-CD1 3.58Å; L174-L212 HydrophobicContact CD1-CD2 3.87Å; L174-L212 HydrophobicContact CD1-CG 4.33Å |
| 175 | N | 92.5 | Very high | 97.1 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 59% | 0.594 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -74 | -26.2 | 173.8 | -64.9 | -33.5 | 0 | 0 | 0 | 112.6 | L171 P172 R173 | L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 3.29Å; P172-N175 WeakPolarHBondContact O-CB 3.07Å; P172-N175 PolarHBondContact O-N 3.44Å; R173-N175 PolarHBondContact O-N 3.3Å |
| 176 | E | 92.9 | Very high | 97.1 | Very high | 117 Ų | 117 | 32.8 Ų | 32.8 | 55% | 0.547 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -86.3 | -32.9 | 179.8 | -68.5 | 172.5 | -178.8 | 0 | 0 | 113 | Q136 Q138 P172 R173 L174 | Q136-E176 PolarHBondContact NE2-O 3.34Å; Q138-E176 PolarHBondContact NE2-OE2 3.17Å; P172-E176 PolarHBondContact O-N 2.95Å; R173-E176 WeakPolarHBondContact O-CB 3.43Å; R173-E176 PolarHBondContact O-N 3.19Å; L174-E176 VanDerWaalsContact C-N 3.34Å |
| 177 | G | 92.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -174.4 | -173.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | R34 R173 | R34-G177 VanDerWaalsContact NH2-N 3.2Å; R34-G177 PolarHBondContact NH2-O 3.49Å; R173-G177 PolarHBondContact O-N 3.36Å |
| 178 | L | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.1 | 172.8 | -179.9 | 66.3 | 0 | 0 | 0 | 108.9 | V27 V33 V36 L130 V135 Q136 A137 Q138 I180 | V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 3.55Å; V27-L178 HydrophobicContact CG1-CG 4.36Å; V33-L178 WeakPolarHBondContact O-CD1 3.3Å; V36-L178 HydrophobicContact CG2-CD1 3.88Å; L130-L178 HydrophobicContact CD1-CD2 3.66Å; L130-L178 HydrophobicContact CD2-CD2 4.22Å; V135-L178 HydrophobicContact CG1-CD2 4.12Å; Q136-L178 PolarHBondContact O-N 2.97Å; Q136-L178 VanDerWaalsContact O-N 3.16Å; A137-L178 CarbonylContact C-O 3.55Å; A137-L178 WeakPolarHBondContact CA-O 3.49Å; Q138-L178 PolarHBondContact N-O 2.96Å; L178-I180 HydrophobicContact CD2-CD1 4.04Å; L178-I180 HydrophobicContact CG-CD1 3.93Å |
| 179 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.4 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 110 | R34 L35 V36 Q138 F140 L170 R173 L174 | R34-V179 PolarHBondContact O-N 2.9Å; L35-V179 CarbonylContact C-O 3.56Å; L35-V179 WeakPolarHBondContact CA-O 3.13Å; L35-V179 HydrophobicContact CD1-CB 3.96Å; L35-V179 HydrophobicContact CD1-CG1 3.88Å; V36-V179 PolarHBondContact N-O 3.12Å; Q138-V179 HydrophobicContact CB-CG2 4.43Å; Q138-V179 WeakPolarHBondContact O-CA 3.43Å; F140-V179 HydrophobicContact CB-CG1 3.47Å; F140-V179 VanDerWaalsContact CB-CG1 3.47Å; F140-V179 HydrophobicContact CG-CG1 4.31Å; L170-V179 HydrophobicContact CD1-CB 4.46Å; L170-V179 HydrophobicContact CD1-CG1 3.79Å; R173-V179 HydrophobicContact CB-CG2 3.76Å; L174-V179 HydrophobicContact CD2-CB 3.73Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.25Å |
| 180 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.7 | 174.8 | -44.9 | -55.2 | 0 | 0 | 0 | 108.2 | V36 L38 T123 F126 V127 L130 Q138 F140 L178 | V36-I180 HydrophobicContact CB-CD1 3.57Å; V36-I180 HydrophobicContact CG1-CD1 4.26Å; V36-I180 HydrophobicContact CG2-CD1 3.74Å; V36-I180 WeakPolarHBondContact O-CA 3.33Å; L38-I180 HydrophobicContact CD1-CG2 4Å; L38-I180 HydrophobicContact CG-CG2 4.27Å; T123-I180 HydrophobicContact CG2-CG2 4.2Å; F126-I180 HydrophobicContact CD1-CD1 4.08Å; F126-I180 HydrophobicContact CD1-CG1 4.27Å; F126-I180 HydrophobicContact CD1-CG2 3.99Å; F126-I180 HydrophobicContact CE1-CD1 4.1Å; V127-I180 HydrophobicContact CG2-CB 3.43Å; V127-I180 VanDerWaalsContact CG2-CB 3.43Å; V127-I180 HydrophobicContact CG2-CG1 3.43Å; V127-I180 VanDerWaalsContact CG2-CG1 3.43Å; V127-I180 HydrophobicContact CG2-CG2 3.98Å; L130-I180 HydrophobicContact CD1-CD1 3.44Å; L130-I180 VanDerWaalsContact CD1-CD1 3.44Å; L130-I180 HydrophobicContact CD1-CG1 3.81Å; Q138-I180 PolarHBondContact O-N 3.31Å; F140-I180 PolarHBondContact N-O 2.81Å; L178-I180 HydrophobicContact CD2-CD1 4.04Å; L178-I180 HydrophobicContact CG-CD1 3.93Å |
| 181 | T | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 162.7 | -174.6 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | L35 V36 V37 L38 T123 F140 V142 L208 | L35-T181 HydrophobicContact CD1-CG2 3.75Å; L35-T181 HydrophobicContact CG-CG2 4.37Å; V36-T181 PolarHBondContact O-N 3.38Å; V37-T181 WeakPolarHBondContact CA-O 3.48Å; V37-T181 HydrophobicContact CG2-CG2 3.83Å; L38-T181 PolarHBondContact N-O 2.76Å; T123-T181 VanDerWaalsContact CG2-O 3.3Å; T123-T181 WeakPolarHBondContact CG2-O 3.35Å; F140-T181 PolarHBondContact O-OG1 3.5Å; V142-T181 VanDerWaalsContact CB-OG1 3.28Å; V142-T181 WeakPolarHBondContact CB-OG1 3.32Å; T181-L208 HydrophobicContact CG2-CD1 3.99Å |
| 182 | Q | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 142.2 | -179.2 | -57.8 | 73.8 | 43.4 | 0 | 0 | 110.7 | E119 L120 T123 W139 F140 V142 I185 | E119-Q182 HydrophobicContact CB-CB 3.76Å; E119-Q182 HydrophobicContact CB-CG 3.88Å; L120-Q182 HydrophobicContact CD2-CG 4.03Å; T123-Q182 HydrophobicContact CG2-CG 4.03Å; T123-Q182 PolarHBondContact OG1-NE2 3.05Å; W139-Q182 VanDerWaalsContact CZ2-NE2 3.26Å; W139-Q182 VanDerWaalsContact NE1-NE2 3.14Å; F140-Q182 PolarHBondContact O-NE2 3.39Å; F140-Q182 PolarHBondContact O-OE1 3.5Å; V142-Q182 HydrophobicContact CB-CB 4.49Å; V142-Q182 HydrophobicContact CG1-CB 3.96Å; Q182-I185 HydrophobicContact CB-CD1 3.57Å; Q182-I185 HydrophobicContact CB-CG1 3.81Å; Q182-I185 HydrophobicContact CG-CD1 3.8Å |
| 183 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -86 | -179.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V37 L38 E119 I185 | V37-G183 VanDerWaalsContact CG1-CA 3.42Å; L38-G183 PolarHBondContact O-N 3.04Å; E119-G183 WeakPolarHBondContact CG-O 3.33Å; G183-I185 PolarHBondContact O-N 3.15Å |
| 184 | F | 96.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 66.9 | -26.7 | 167.3 | -179.1 | -119.7 | 0 | 0 | 0 | 116.9 | V115 T195 L196 G197 G200 T204 | V115-F184 HydrophobicContact CB-CE1 4.37Å; V115-F184 HydrophobicContact CG1-CD1 4.41Å; V115-F184 HydrophobicContact CG1-CE1 3.57Å; V115-F184 HydrophobicContact CG1-CZ 4.37Å; F184-T195 HydrophobicContact CD1-CG2 3.97Å; F184-T195 HydrophobicContact CE1-CG2 3.31Å; F184-T195 HydrophobicContact CE2-CG2 4.29Å; F184-T195 HydrophobicContact CZ-CG2 3.52Å; F184-T195 CarbonylContact O-C 3.58Å; F184-T195 WeakPolarHBondContact O-CA 3.48Å; F184-L196 PolarHBondContact O-N 3.5Å; F184-G197 WeakPolarHBondContact CD2-O 3.5Å; F184-G197 VanDerWaalsContact CE2-O 3.23Å; F184-G197 WeakPolarHBondContact CE2-O 3.08Å; F184-G200 PolarHBondContact N-O 3.45Å; F184-T204 PolarHBondContact N-OG1 2.8Å |
| 185 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 152.3 | -170.5 | 72.7 | 178.3 | 0 | 0 | 0 | 112.3 | L120 V142 R143 Q182 G183 T193 T194 | L120-I185 HydrophobicContact CD2-CD1 4.36Å; V142-I185 HydrophobicContact CG1-CD1 4.07Å; V142-I185 HydrophobicContact CG1-CG1 3.41Å; V142-I185 VanDerWaalsContact CG1-CG1 3.41Å; V142-I185 WeakPolarHBondContact CG1-O 3.33Å; R143-I185 HydrophobicContact CG-CD1 4.18Å; R143-I185 HydrophobicContact CG-CG1 4.23Å; Q182-I185 HydrophobicContact CB-CD1 3.57Å; Q182-I185 HydrophobicContact CB-CG1 3.81Å; Q182-I185 HydrophobicContact CG-CD1 3.8Å; G183-I185 PolarHBondContact O-N 3.15Å; I185-T193 HydrophobicContact CB-CG2 4.36Å; I185-T194 CarbonylContact C-O 3.54Å; I185-T194 WeakPolarHBondContact CA-O 3.45Å |
| 186 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -169.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | M146 T193 T194 | M146-G186 CarbonylContact O-C 3.47Å; M146-G186 WeakPolarHBondContact O-CA 3.23Å; G186-T193 WeakPolarHBondContact O-CA 3.42Å; G186-T194 VanDerWaalsContact C-OG1 3.26Å; G186-T194 PolarHBondContact N-O 3.11Å; G186-T194 PolarHBondContact O-N 3.1Å; G186-T194 PolarHBondContact O-OG1 2.87Å |
| 187 | S | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131.4 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | M146 R147 T148 G191 R192 | M146-S187 PolarHBondContact O-N 3.14Å; R147-S187 WeakPolarHBondContact CA-O 3.37Å; R147-S187 PolarHBondContact NH1-OG 2.72Å; T148-S187 PolarHBondContact N-O 3.33Å; T148-S187 VanDerWaalsContact OG1-C 3.32Å; T148-S187 PolarHBondContact OG1-O 3.29Å; S187-G191 WeakPolarHBondContact OG-CA 3.4Å; S187-G191 PolarHBondContact OG-O 3.25Å; S187-R192 VanDerWaalsContact CA-O 3.28Å; S187-R192 WeakPolarHBondContact CA-O 3.27Å; S187-R192 PolarHBondContact OG-O 2.69Å |
| 188 | E | 98.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 171.8 | 174.3 | 63 | 78 | -150.2 | 0 | 0 | 112.1 | T148 D150 F152 K190 G191 R192 T194 | T148-E188 WeakPolarHBondContact O-CA 3.49Å; T148-E188 PolarHBondContact OG1-N 2.95Å; D150-E188 HydrophobicContact CB-CB 4.36Å; D150-E188 HydrophobicContact CB-CG 4.45Å; F152-E188 HydrophobicContact CE1-CG 4.48Å; F152-E188 HydrophobicContact CZ-CG 4.19Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.38Å; E188-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 WeakPolarHBondContact OE1-CA 3.3Å; E188-K190 WeakPolarHBondContact OE1-CB 3.26Å; E188-K190 PolarHBondContact OE1-N 3.45Å; E188-K190 WeakPolarHBondContact OE2-CG 3.47Å; E188-K190 PolarHBondContact OE2-N 3.5Å; E188-G191 WeakPolarHBondContact O-CA 3.33Å; E188-G191 PolarHBondContact O-N 2.93Å; E188-G191 PolarHBondContact OE1-N 2.79Å; E188-R192 HydrophobicContact CG-CB 3.98Å; E188-R192 PolarHBondContact N-O 3.28Å; E188-R192 WeakPolarHBondContact OE1-CB 3.39Å; E188-R192 WeakPolarHBondContact OE1-CG 3.39Å; E188-R192 IonicContact OE1-CZ 3.73Å; E188-R192 PolarHBondContact OE1-N 3.29Å; E188-R192 IonicContact OE1-NE 2.88Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 IonicContact OE1-NH2 3.69Å; E188-R192 IonicContact OE2-NH2 3.71Å; E188-T194 HydrophobicContact CB-CG2 3.91Å; E188-T194 HydrophobicContact CG-CG2 4.1Å |
| 189 | N | 95.1 | Very high | 95.6 | Very high | 142 Ų | 142 | 35.6 Ų | 35.6 | 76% | 0.759 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25 | -170.6 | -71.3 | -26.4 | 0 | 0 | 0 | 115.3 | G191 | N189-G191 VanDerWaalsContact C-N 3.3Š|
| 190 | K | 96.5 | Very high | 95.2 | Very high | 172 Ų | 172 | 35.7 Ų | 35.7 | 75% | 0.748 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.3 | 173.4 | -46.4 | 171.9 | 180 | 172.7 | 0 | 113.1 | E188 | E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.38Å; E188-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 WeakPolarHBondContact OE1-CA 3.3Å; E188-K190 WeakPolarHBondContact OE1-CB 3.26Å; E188-K190 PolarHBondContact OE1-N 3.45Å; E188-K190 WeakPolarHBondContact OE2-CG 3.47Å; E188-K190 PolarHBondContact OE2-N 3.5Å |
| 191 | G | 96.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 47% | 0.474 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 87 | 3.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S187 E188 N189 | S187-G191 WeakPolarHBondContact OG-CA 3.4Å; S187-G191 PolarHBondContact OG-O 3.25Å; E188-G191 WeakPolarHBondContact O-CA 3.33Å; E188-G191 PolarHBondContact O-N 2.93Å; E188-G191 PolarHBondContact OE1-N 2.79Å; N189-G191 VanDerWaalsContact C-N 3.3Å |
| 192 | R | 98.2 | Very high | 94.8 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | trans | -71.6 | 147 | 174.7 | -62.3 | 173.7 | -69.2 | 165.6 | 5.2 | 110.3 | F152 S187 E188 | F152-R192 HydrophobicContact CE1-CB 4.3Å; F152-R192 HydrophobicContact CZ-CB 4.41Å; F152-R192 VanDerWaalsContact CZ-CZ 3.48Å; S187-R192 VanDerWaalsContact CA-O 3.28Å; S187-R192 WeakPolarHBondContact CA-O 3.27Å; S187-R192 PolarHBondContact OG-O 2.69Å; E188-R192 HydrophobicContact CG-CB 3.98Å; E188-R192 PolarHBondContact N-O 3.28Å; E188-R192 WeakPolarHBondContact OE1-CB 3.39Å; E188-R192 WeakPolarHBondContact OE1-CG 3.39Å; E188-R192 IonicContact OE1-CZ 3.73Å; E188-R192 PolarHBondContact OE1-N 3.29Å; E188-R192 IonicContact OE1-NE 2.88Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 IonicContact OE1-NH2 3.69Å; E188-R192 IonicContact OE2-NH2 3.71Å | ||
| 193 | T | 98.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.1 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | E113 R143 F152 I185 G186 | E113-T193 WeakPolarHBondContact OE2-CB 3.35Å; E113-T193 PolarHBondContact OE2-OG1 2.96Å; R143-T193 PolarHBondContact NH1-OG1 2.67Å; F152-T193 WeakPolarHBondContact CE1-O 3.43Å; I185-T193 HydrophobicContact CB-CG2 4.36Å; G186-T193 WeakPolarHBondContact O-CA 3.42Å |
| 194 | T | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.5 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | D112 T148 F152 A155 I185 G186 E188 | D112-T194 VanDerWaalsContact OD2-CA 3.24Å; D112-T194 WeakPolarHBondContact OD2-CA 3.4Å; T148-T194 WeakPolarHBondContact OG1-CG2 3.23Å; T148-T194 PolarHBondContact OG1-OG1 2.83Å; F152-T194 HydrophobicContact CD1-CG2 3.95Å; F152-T194 HydrophobicContact CE1-CG2 3.83Å; A155-T194 HydrophobicContact CB-CG2 4.07Å; I185-T194 CarbonylContact C-O 3.54Å; I185-T194 WeakPolarHBondContact CA-O 3.45Å; G186-T194 VanDerWaalsContact C-OG1 3.26Å; G186-T194 PolarHBondContact N-O 3.11Å; G186-T194 PolarHBondContact O-N 3.1Å; G186-T194 PolarHBondContact O-OG1 2.87Å; E188-T194 HydrophobicContact CB-CG2 3.91Å; E188-T194 HydrophobicContact CG-CG2 4.1Å |
| 195 | T | 97.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 149.8 | 170.6 | 67.1 | 0 | 0 | 0 | 0 | 112 | D112 G153 R154 A155 F184 G197 | D112-T195 HydrophobicContact CB-CG2 3.92Å; D112-T195 VanDerWaalsContact CG-N 3.25Å; D112-T195 WeakPolarHBondContact OD1-CB 3.36Å; D112-T195 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T195 PolarHBondContact OD1-OG1 2.93Å; D112-T195 PolarHBondContact OD2-N 3.25Å; G153-T195 VanDerWaalsContact CA-OG1 3.3Å; G153-T195 WeakPolarHBondContact CA-OG1 3.46Å; R154-T195 PolarHBondContact N-O 3.49Å; A155-T195 WeakPolarHBondContact CB-O 3.35Å; A155-T195 PolarHBondContact N-O 3.18Å; F184-T195 HydrophobicContact CD1-CG2 3.97Å; F184-T195 HydrophobicContact CE1-CG2 3.31Å; F184-T195 HydrophobicContact CE2-CG2 4.29Å; F184-T195 HydrophobicContact CZ-CG2 3.52Å; F184-T195 CarbonylContact O-C 3.58Å; F184-T195 WeakPolarHBondContact O-CA 3.48Å; T195-G197 VanDerWaalsContact C-N 3.32Å |
| 196 | L | 94.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | trans | -88 | 4.1 | -176.6 | -59.9 | -179.8 | 0 | 0 | 0 | 113.6 | T148 A155 F184 Y203 T204 L207 | T148-L196 HydrophobicContact CG2-CD2 3.91Å; A155-L196 WeakPolarHBondContact O-CD2 3.28Å; F184-L196 PolarHBondContact O-N 3.5Å; L196-Y203 HydrophobicContact CB-CD1 4.17Å; L196-Y203 HydrophobicContact CD1-CD1 4.02Å; L196-T204 WeakPolarHBondContact CD1-OG1 3.2Å; L196-L207 HydrophobicContact CD1-CD1 4.15Å | ||
| 197 | G | 87.6 | Confident | 94.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | trans | 75.2 | -158.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G153 F184 T195 G199 G200 | G153-G197 VanDerWaalsContact O-CA 3.23Å; G153-G197 WeakPolarHBondContact O-CA 3.32Å; G153-G197 PolarHBondContact O-N 3.25Å; F184-G197 WeakPolarHBondContact CD2-O 3.5Å; F184-G197 VanDerWaalsContact CE2-O 3.23Å; F184-G197 WeakPolarHBondContact CE2-O 3.08Å; T195-G197 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 2.82Å; G197-G200 WeakPolarHBondContact O-CA 3.29Å; G197-G200 PolarHBondContact O-N 3.31Å | ||
| 198 | R | 77.4 | Confident | 94.7 | Very high | 183 Ų | 183 | 37.8 Ų | 37.8 | 69% | 0.691 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 134.6 | -170.9 | -176.7 | -180 | -68.4 | -77.9 | 3.8 | 111.9 | G200 T356 | R198-G200 PolarHBondContact O-N 3.02Å; R198-T356 PolarHBondContact NH2-O 2.81Å |
| 199 | G | 83.5 | Confident | 94.7 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G197 S201 D202 Y203 | G197-G199 PolarHBondContact O-N 2.82Å; G199-S201 PolarHBondContact O-N 3.48Å; G199-S201 VanDerWaalsContact O-N 3.11Å; G199-D202 WeakPolarHBondContact O-CB 3.49Å; G199-D202 PolarHBondContact O-N 3.13Å; G199-Y203 PolarHBondContact O-N 3.18Å |
| 200 | G | 91.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -25.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F184 G197 R198 Y203 T204 | F184-G200 PolarHBondContact N-O 3.45Å; G197-G200 WeakPolarHBondContact O-CA 3.29Å; G197-G200 PolarHBondContact O-N 3.31Å; R198-G200 PolarHBondContact O-N 3.02Å; G200-Y203 PolarHBondContact O-N 2.95Å; G200-T204 WeakPolarHBondContact O-CB 3.44Å; G200-T204 PolarHBondContact O-N 3.16Å; G200-T204 PolarHBondContact O-OG1 2.72Å |
| 201 | S | 95 | Very high | 94.9 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 171.9 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | S39 G199 Y203 T204 A205 | S39-S201 WeakPolarHBondContact OG-CB 3.36Å; S39-S201 PolarHBondContact OG-OG 2.93Å; G199-S201 PolarHBondContact O-N 3.48Å; G199-S201 VanDerWaalsContact O-N 3.11Å; S201-Y203 VanDerWaalsContact C-N 3.31Å; S201-T204 PolarHBondContact O-N 3.23Å; S201-A205 PolarHBondContact O-N 3.27Å |
| 202 | D | 93.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 23 Ų | 23 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.2 | -55.6 | -32.9 | 0 | 0 | 0 | 109.5 | K8 G199 T204 A205 A206 I219 L259 | K8-D202 WeakPolarHBondContact CD-OD1 3.23Å; K8-D202 WeakPolarHBondContact CE-OD1 3.19Å; K8-D202 IonicContact NZ-OD1 3.74Å; K8-D202 PolarHBondContact NZ-OD1 3.11Å; G199-D202 WeakPolarHBondContact O-CB 3.49Å; G199-D202 PolarHBondContact O-N 3.13Å; D202-T204 PolarHBondContact O-N 3.36Å; D202-A205 PolarHBondContact O-N 3.28Å; D202-A206 PolarHBondContact O-N 2.84Å; D202-I219 HydrophobicContact CB-CD1 4.45Å; D202-L259 HydrophobicContact CB-CD2 4.39Å |
| 203 | Y | 95.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 26 Ų | 26 | 19% | 0.188 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.9 | -168.4 | -151.5 | 0 | 0 | 0 | 112 | P157 L196 G199 G200 S201 A205 A206 L207 T263 P266 | P157-Y203 HydrophobicContact CG-CE1 3.92Å; P157-Y203 WeakPolarHBondContact CG-OH 3.48Å; L196-Y203 HydrophobicContact CB-CD1 4.17Å; L196-Y203 HydrophobicContact CD1-CD1 4.02Å; G199-Y203 PolarHBondContact O-N 3.18Å; G200-Y203 PolarHBondContact O-N 2.95Å; S201-Y203 VanDerWaalsContact C-N 3.31Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; Y203-A205 PolarHBondContact O-N 3.06Å; Y203-A206 PolarHBondContact O-N 2.75Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CD2-CD1 3.86Å; Y203-L207 HydrophobicContact CD2-CD2 4.42Å; Y203-L207 HydrophobicContact CD2-CG 3.82Å; Y203-L207 HydrophobicContact CE1-CD1 3.86Å; Y203-L207 HydrophobicContact CE2-CD1 3.82Å; Y203-L207 HydrophobicContact CE2-CD2 3.78Å; Y203-L207 HydrophobicContact CE2-CG 3.68Å; Y203-L207 HydrophobicContact CG-CD1 3.9Å; Y203-L207 HydrophobicContact CG-CG 4.35Å; Y203-L207 WeakPolarHBondContact O-CB 3.42Å; Y203-L207 WeakPolarHBondContact O-CD1 3.46Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 2.77Å; Y203-T263 WeakPolarHBondContact CA-O 3.23Å; Y203-P266 HydrophobicContact CD2-CG 3.91Å; Y203-P266 HydrophobicContact CE2-CG 3.52Å |
| 204 | T | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | V37 V142 M146 F184 L196 G200 S201 D202 L207 L208 | V37-T204 HydrophobicContact CG1-CG2 4.04Å; V142-T204 HydrophobicContact CG2-CG2 4.15Å; M146-T204 HydrophobicContact CE-CG2 3.97Å; F184-T204 PolarHBondContact N-OG1 2.8Å; L196-T204 WeakPolarHBondContact CD1-OG1 3.2Å; G200-T204 WeakPolarHBondContact O-CB 3.44Å; G200-T204 PolarHBondContact O-N 3.16Å; G200-T204 PolarHBondContact O-OG1 2.72Å; S201-T204 PolarHBondContact O-N 3.23Å; D202-T204 PolarHBondContact O-N 3.36Å; T204-L207 PolarHBondContact O-N 2.92Å; T204-L208 HydrophobicContact CG2-CD1 3.61Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.08Å; T204-L208 VanDerWaalsContact O-CG 3.25Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.89Å |
| 205 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V6 K8 V37 S201 D202 Y203 L208 A209 V217 I219 | V6-A205 HydrophobicContact CG1-CB 4.13Å; K8-A205 HydrophobicContact CB-CB 3.75Å; K8-A205 HydrophobicContact CG-CB 4.26Å; V37-A205 HydrophobicContact CB-CB 4.35Å; V37-A205 HydrophobicContact CG2-CB 4.18Å; S201-A205 PolarHBondContact O-N 3.27Å; D202-A205 PolarHBondContact O-N 3.28Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; Y203-A205 PolarHBondContact O-N 3.06Å; A205-L208 PolarHBondContact O-N 3.23Å; A205-A209 WeakPolarHBondContact O-CB 3.5Å; A205-A209 PolarHBondContact O-N 3.26Å; A205-V217 HydrophobicContact CB-CG1 4.09Å; A205-I219 HydrophobicContact CB-CD1 4.38Å |
| 206 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D202 Y203 A209 E210 T263 P266 A267 | D202-A206 PolarHBondContact O-N 2.84Å; Y203-A206 PolarHBondContact O-N 2.75Å; A206-A209 PolarHBondContact O-N 3.1Å; A206-E210 PolarHBondContact O-N 2.77Å; A206-T263 VanDerWaalsContact CB-O 3.28Å; A206-T263 WeakPolarHBondContact CB-O 3.48Å; A206-P266 HydrophobicContact CB-CB 3.97Å; A206-P266 HydrophobicContact CB-CG 4.02Å; A206-P266 WeakPolarHBondContact O-CB 3.26Å; A206-A267 HydrophobicContact CB-CB 4.42Å |
| 207 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.4 | -74.3 | 165.8 | 0 | 0 | 0 | 112.2 | M146 P157 I159 L162 L196 Y203 T204 A209 E210 A211 P266 | M146-L207 HydrophobicContact CE-CB 3.97Å; M146-L207 HydrophobicContact CE-CD1 3.86Å; M146-L207 HydrophobicContact SD-CD1 3.91Å; P157-L207 HydrophobicContact CB-CD1 4.1Å; P157-L207 HydrophobicContact CB-CD2 4.49Å; P157-L207 HydrophobicContact CG-CD1 3.74Å; P157-L207 HydrophobicContact CG-CD2 3.92Å; I159-L207 HydrophobicContact CD1-CD2 3.34Å; L162-L207 HydrophobicContact CD2-CB 3.73Å; L162-L207 HydrophobicContact CD2-CD2 4.45Å; L196-L207 HydrophobicContact CD1-CD1 4.15Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CD2-CD1 3.86Å; Y203-L207 HydrophobicContact CD2-CD2 4.42Å; Y203-L207 HydrophobicContact CD2-CG 3.82Å; Y203-L207 HydrophobicContact CE1-CD1 3.86Å; Y203-L207 HydrophobicContact CE2-CD1 3.82Å; Y203-L207 HydrophobicContact CE2-CD2 3.78Å; Y203-L207 HydrophobicContact CE2-CG 3.68Å; Y203-L207 HydrophobicContact CG-CD1 3.9Å; Y203-L207 HydrophobicContact CG-CG 4.35Å; Y203-L207 WeakPolarHBondContact O-CB 3.42Å; Y203-L207 WeakPolarHBondContact O-CD1 3.46Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 2.77Å; T204-L207 PolarHBondContact O-N 2.92Å; L207-A209 VanDerWaalsContact C-N 3.35Å; L207-E210 PolarHBondContact O-N 2.9Å; L207-A211 WeakPolarHBondContact O-CB 3.17Å; L207-A211 PolarHBondContact O-N 2.75Å; L207-P266 HydrophobicContact CD2-CB 4.31Å; L207-P266 HydrophobicContact CD2-CG 3.66Å; L207-P266 HydrophobicContact CG-CG 3.89Å |
| 208 | L | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 177.7 | -69.7 | 167.6 | 0 | 0 | 0 | 111.3 | L35 V37 V142 V145 M146 L162 L170 T181 T204 A205 A211 L212 | L35-L208 HydrophobicContact CD2-CB 3.86Å; L35-L208 HydrophobicContact CD2-CD1 4.06Å; L35-L208 HydrophobicContact CD2-CG 4.43Å; V37-L208 HydrophobicContact CG2-CD1 3.98Å; V142-L208 HydrophobicContact CG2-CD1 4.16Å; V145-L208 HydrophobicContact CG2-CD2 4.1Å; M146-L208 HydrophobicContact CE-CG 4.34Å; L162-L208 HydrophobicContact CD1-CD2 4.04Å; L170-L208 HydrophobicContact CD2-CD2 3.86Å; T181-L208 HydrophobicContact CG2-CD1 3.99Å; T204-L208 HydrophobicContact CG2-CD1 3.61Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.08Å; T204-L208 VanDerWaalsContact O-CG 3.25Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.89Å; A205-L208 PolarHBondContact O-N 3.23Å; L208-A211 PolarHBondContact O-N 3.1Å; L208-L212 VanDerWaalsContact O-CB 3.27Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 WeakPolarHBondContact O-CD1 3.48Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.11Å |
| 209 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 A205 A206 L207 L212 H213 A214 V217 I272 | V6-A209 HydrophobicContact CB-CB 4.21Å; V6-A209 HydrophobicContact CG2-CB 3.86Å; A205-A209 WeakPolarHBondContact O-CB 3.5Å; A205-A209 PolarHBondContact O-N 3.26Å; A206-A209 PolarHBondContact O-N 3.1Å; L207-A209 VanDerWaalsContact C-N 3.35Å; A209-L212 PolarHBondContact O-N 3.31Å; A209-H213 PolarHBondContact O-N 3.29Å; A209-A214 HydrophobicContact CB-CB 3.75Å; A209-A214 WeakPolarHBondContact O-CB 3.46Å; A209-A214 PolarHBondContact O-N 3.11Å; A209-V217 HydrophobicContact CB-CG2 3.3Å; A209-I272 HydrophobicContact CB-CD1 4.19Å |
| 210 | E | 98 | Very high | 96.9 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 14% | 0.136 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.1 | -51.5 | 172.3 | 167.8 | 176.5 | -126.4 | 0 | 0 | 111.6 | A206 L207 L212 H213 P266 R269 S270 | A206-E210 PolarHBondContact O-N 2.77Å; L207-E210 PolarHBondContact O-N 2.9Å; E210-L212 PolarHBondContact O-N 3.42Å; E210-L212 VanDerWaalsContact O-N 3.16Å; E210-H213 PolarHBondContact O-N 3.01Å; E210-P266 HydrophobicContact CB-CB 4.11Å; E210-R269 VanDerWaalsContact CD-NE 3.32Å; E210-R269 WeakPolarHBondContact OE1-CD 3.36Å; E210-R269 WeakPolarHBondContact OE1-CG 3.37Å; E210-R269 IonicContact OE1-CZ 2.63Å; E210-R269 IonicContact OE1-NE 3.34Å; E210-R269 PolarHBondContact OE1-NE 2.99Å; E210-R269 IonicContact OE1-NH2 3.64Å; E210-R269 IonicContact OE2-CZ 3.95Å; E210-R269 IonicContact OE2-NE 3.57Å; E210-R269 PolarHBondContact OE2-NE 3.47Å; E210-R269 IonicContact OE2-NH2 3.9Å; E210-R269 PolarHBondContact OE2-NH2 3.05Å; E210-S270 WeakPolarHBondContact CG-OG 3.06Å; E210-S270 PolarHBondContact OE1-OG 2.97Å |
| 211 | A | 98 | Very high | 96.8 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 12% | 0.116 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -26.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L162 A166 L207 L208 | L162-A211 HydrophobicContact CD2-CB 4.18Å; L162-A211 HydrophobicContact CG-CB 3.85Å; A166-A211 HydrophobicContact CB-CB 3.99Å; L207-A211 WeakPolarHBondContact O-CB 3.17Å; L207-A211 PolarHBondContact O-N 2.75Å; L208-A211 PolarHBondContact O-N 3.1Å |
| 212 | L | 97.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.1 | 179.7 | -65.3 | 168.7 | 0 | 0 | 0 | 113.5 | L35 A166 L170 L171 L174 L208 A209 E210 A214 | L35-L212 HydrophobicContact CD2-CD1 3.6Å; A166-L212 HydrophobicContact CB-CD2 4.12Å; L170-L212 HydrophobicContact CD2-CD1 3.96Å; L170-L212 HydrophobicContact CD2-CD2 4.49Å; L170-L212 HydrophobicContact CG-CD1 4.48Å; L171-L212 HydrophobicContact CB-CD2 4.18Å; L171-L212 HydrophobicContact CD1-CD2 4.3Å; L174-L212 HydrophobicContact CD1-CD1 3.58Å; L174-L212 HydrophobicContact CD1-CD2 3.87Å; L174-L212 HydrophobicContact CD1-CG 4.33Å; L208-L212 VanDerWaalsContact O-CB 3.27Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 WeakPolarHBondContact O-CD1 3.48Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.11Å; A209-L212 PolarHBondContact O-N 3.31Å; E210-L212 PolarHBondContact O-N 3.42Å; E210-L212 VanDerWaalsContact O-N 3.16Å; L212-A214 PolarHBondContact O-N 3.35Å |
| 213 | H | 96.5 | Very high | 95.9 | Very high | 163 Ų | 163 | 28 Ų | 28 | 76% | 0.755 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 46.8 | -171.1 | -55.9 | -62.1 | 0 | 0 | 0 | 112.4 | A209 E210 | A209-H213 PolarHBondContact O-N 3.29Å; E210-H213 PolarHBondContact O-N 3.01Å |
| 214 | A | 97.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | trans | -61.8 | 149.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I4 V6 A209 L212 I272 | I4-A214 HydrophobicContact CB-CB 4.47Å; I4-A214 HydrophobicContact CG2-CB 4.29Å; I4-A214 CarbonylContact O-C 3.53Å; I4-A214 WeakPolarHBondContact O-CA 3.36Å; I4-A214 WeakPolarHBondContact O-CB 3.39Å; V6-A214 HydrophobicContact CG2-CB 3.88Å; A209-A214 HydrophobicContact CB-CB 3.75Å; A209-A214 WeakPolarHBondContact O-CB 3.46Å; A209-A214 PolarHBondContact O-N 3.11Å; L212-A214 PolarHBondContact O-N 3.35Å; A214-I272 WeakPolarHBondContact O-CG1 3.12Å | ||
| 215 | S | 97.2 | Very high | 95.4 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 32% | 0.315 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -79.1 | -24.9 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 113 | I4 P273 | I4-S215 PolarHBondContact O-N 3.4Å; I4-S215 PolarHBondContact O-OG 3.02Å; S215-P273 VanDerWaalsContact O-CD 3.29Å; S215-P273 WeakPolarHBondContact O-CD 3.43Å; S215-P273 WeakPolarHBondContact O-CG 3.23Å |
| 216 | R | 97.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 27.5 Ų | 27.5 | 26% | 0.264 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 151.9 | -178.8 | -166.5 | 175.9 | 72.3 | -149.4 | -1 | 111.1 | V5 V6 D30 D218 P273 | V5-R216 WeakPolarHBondContact CA-O 3.44Å; V5-R216 HydrophobicContact CG1-CB 4.38Å; V5-R216 HydrophobicContact CG2-CB 4.19Å; V6-R216 PolarHBondContact N-O 2.85Å; V6-R216 VanDerWaalsContact N-O 3.08Å; D30-R216 IonicContact OD2-CZ 3.7Å; D30-R216 IonicContact OD2-NH2 2.71Å; D30-R216 PolarHBondContact OD2-NH2 2.69Å; R216-D218 WeakPolarHBondContact CD-OD1 3.47Å; R216-D218 IonicContact CZ-OD1 3.37Å; R216-D218 IonicContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.36Å; R216-D218 PolarHBondContact NE-OD1 3.33Å; R216-D218 IonicContact NE-OD2 3.02Å; R216-D218 IonicContact NH2-OD1 3.77Å; R216-D218 PolarHBondContact NH2-OD1 2.87Å; R216-D218 IonicContact NH2-OD2 2.65Å; R216-D218 PolarHBondContact NH2-OD2 2.97Å; R216-P273 WeakPolarHBondContact CA-O 3.35Å; R216-P273 HydrophobicContact CB-CG 4.41Å; R216-P273 HydrophobicContact CG-CG 4.27Å; R216-P273 WeakPolarHBondContact CG-O 3.2Å |
| 217 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 164.4 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | V6 A205 A209 I219 I272 P273 V274 F275 | V6-V217 CarbonylContact O-C 3.5Å; V6-V217 WeakPolarHBondContact O-CA 3.5Å; A205-V217 HydrophobicContact CB-CG1 4.09Å; A209-V217 HydrophobicContact CB-CG2 3.3Å; V217-I219 HydrophobicContact CG1-CD1 3.6Å; V217-I219 HydrophobicContact CG1-CG1 4.21Å; V217-I272 HydrophobicContact CG2-CG2 4.08Å; V217-P273 PolarHBondContact N-O 3.47Å; V217-V274 HydrophobicContact CB-CG1 4.28Å; V217-V274 HydrophobicContact CB-CG2 4.17Å; V217-V274 HydrophobicContact CG1-CG1 4.4Å; V217-V274 CarbonylContact O-C 3.52Å; V217-V274 VanDerWaalsContact O-CA 3.26Å; V217-V274 WeakPolarHBondContact O-CA 3.3Å; V217-F275 PolarHBondContact O-N 2.77Å |
| 218 | D | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.4 | 173.5 | -64.2 | -11.4 | 0 | 0 | 0 | 109.7 | V5 V6 S7 K8 R216 F275 | V5-D218 WeakPolarHBondContact CG1-OD2 3.48Å; V6-D218 PolarHBondContact O-N 3.4Å; S7-D218 CarbonylContact C-O 3.51Å; S7-D218 WeakPolarHBondContact CA-O 3.43Å; K8-D218 PolarHBondContact N-O 3.14Å; R216-D218 WeakPolarHBondContact CD-OD1 3.47Å; R216-D218 IonicContact CZ-OD1 3.37Å; R216-D218 IonicContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.36Å; R216-D218 PolarHBondContact NE-OD1 3.33Å; R216-D218 IonicContact NE-OD2 3.02Å; R216-D218 IonicContact NH2-OD1 3.77Å; R216-D218 PolarHBondContact NH2-OD1 2.87Å; R216-D218 IonicContact NH2-OD2 2.65Å; R216-D218 PolarHBondContact NH2-OD2 2.97Å; D218-F275 CarbonylContact C-O 3.56Å; D218-F275 HydrophobicContact CB-CD1 4.46Å; D218-F275 WeakPolarHBondContact OD1-CB 3.37Å |
| 219 | I | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.1 | 172.6 | -49.8 | -61.5 | 0 | 0 | 0 | 109.4 | K8 D202 A205 V217 T221 L259 V274 F275 V276 G277 | K8-I219 HydrophobicContact CB-CD1 3.77Å; K8-I219 HydrophobicContact CD-CD1 4.26Å; K8-I219 HydrophobicContact CD-CG2 4.06Å; K8-I219 HydrophobicContact CG-CD1 4.35Å; D202-I219 HydrophobicContact CB-CD1 4.45Å; A205-I219 HydrophobicContact CB-CD1 4.38Å; V217-I219 HydrophobicContact CG1-CD1 3.6Å; V217-I219 HydrophobicContact CG1-CG1 4.21Å; I219-T221 HydrophobicContact CG2-CG2 3.86Å; I219-L259 HydrophobicContact CB-CD1 4.45Å; I219-L259 HydrophobicContact CB-CD2 4.13Å; I219-L259 HydrophobicContact CG1-CD1 4.06Å; I219-L259 HydrophobicContact CG1-CD2 4.01Å; I219-L259 HydrophobicContact CG2-CD2 3.65Å; I219-V274 HydrophobicContact CG1-CG1 3.73Å; I219-F275 PolarHBondContact N-O 2.88Å; I219-V276 WeakPolarHBondContact O-CA 3.45Å; I219-G277 PolarHBondContact O-N 3.03Å |
| 220 | W | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.4 | 178.1 | -63.4 | 98.7 | 0 | 0 | 0 | 110.8 | K8 F9 G10 S13 I26 F275 P282 | K8-W220 WeakPolarHBondContact O-CB 3.26Å; K8-W220 PolarHBondContact O-N 3.18Å; F9-W220 HydrophobicContact CD1-CB 3.47Å; F9-W220 VanDerWaalsContact CD1-CB 3.47Å; F9-W220 AromaticContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CE1-CB 3.62Å; F9-W220 AromaticContact CE1-CD1 3.49Å; F9-W220 VanDerWaalsContact CE1-CD1 3.49Å; F9-W220 HydrophobicContact CE1-CD2 4.27Å; F9-W220 AromaticContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CE1-CG 3.49Å; F9-W220 VanDerWaalsContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CG-CB 4.23Å; F9-W220 HydrophobicContact CZ-CB 4.46Å; F9-W220 AromaticContact CZ-CD1 3.48Å; F9-W220 VanDerWaalsContact CZ-CD1 3.48Å; F9-W220 AromaticContact CZ-CG 3.98Å; F9-W220 HydrophobicContact CZ-CG 3.98Å; F9-W220 AromaticContact CZ-NE1 3.95Å; G10-W220 PolarHBondContact N-O 3.31Å; G10-W220 VanDerWaalsContact N-O 3.1Å; S13-W220 PolarHBondContact OG-O 3.41Å; I26-W220 HydrophobicContact CD1-CD2 4.37Å; I26-W220 HydrophobicContact CD1-CE3 4.11Å; I26-W220 HydrophobicContact CD1-CZ3 4.31Å; I26-W220 HydrophobicContact CG2-CD2 3.92Å; I26-W220 HydrophobicContact CG2-CE3 4.39Å; I26-W220 HydrophobicContact CG2-CH2 3.86Å; I26-W220 HydrophobicContact CG2-CZ2 3.34Å; I26-W220 HydrophobicContact CG2-CZ3 4.36Å; W220-F275 HydrophobicContact CH2-CD1 4.48Å; W220-F275 AromaticContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CZ2-CD1 4.33Å; W220-F275 AromaticContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ3-CE1 4.05Å; W220-P282 HydrophobicContact CH2-CB 4.07Å; W220-P282 HydrophobicContact CZ3-CB 3.81Å |
| 221 | T | 90 | Very high | 94 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | -166.7 | -175.5 | 79.6 | 0 | 0 | 0 | 0 | 110.9 | I219 V223 V276 G277 S278 S279 | I219-T221 HydrophobicContact CG2-CG2 3.86Å; T221-V223 PolarHBondContact OG1-N 3.02Å; T221-V223 PolarHBondContact OG1-O 3.45Å; T221-V223 VanDerWaalsContact OG1-O 3.11Å; T221-V276 HydrophobicContact CG2-CG1 4.47Å; T221-G277 PolarHBondContact N-O 2.95Å; T221-G277 PolarHBondContact OG1-O 3.07Å; T221-S278 WeakPolarHBondContact O-CA 3.44Å; T221-S279 PolarHBondContact O-N 3.48Å |
| 222 | D | 85.6 | Confident | 93.6 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -87.9 | -14.1 | 174.6 | 60.2 | -25.5 | 0 | 0 | 0 | 114.2 | S278 | D222-S278 PolarHBondContact O-OG 3.09Š|
| 223 | V | 85.3 | Confident | 93.4 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -113.2 | 137.7 | -178.7 | -176 | 0 | 0 | 0 | 0 | 110.4 | T221 G225 Y227 G277 | T221-V223 PolarHBondContact OG1-N 3.02Å; T221-V223 PolarHBondContact OG1-O 3.45Å; T221-V223 VanDerWaalsContact OG1-O 3.11Å; V223-G225 PolarHBondContact O-N 3.43Å; V223-Y227 HydrophobicContact CG1-CD2 4.11Å; V223-Y227 HydrophobicContact CG1-CE2 3.88Å; V223-G277 CarbonylContact O-C 3.54Å |
| 224 | P | 90.5 | Very high | 93.3 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 17% | 0.169 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.8 | 62.5 | -173.8 | 32.9 | -36.2 | 0 | 0 | 0 | 112.4 | Y227 R239 A284 | P224-Y227 HydrophobicContact CG-CE2 4.28Å; P224-Y227 WeakPolarHBondContact CG-OH 3.21Å; P224-R239 WeakPolarHBondContact O-CD 3.34Å; P224-A284 HydrophobicContact CB-CB 3.8Å |
| 225 | G | 92.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 104.7 | -169.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V223 V276 | V223-G225 PolarHBondContact O-N 3.43Å; G225-V276 WeakPolarHBondContact CA-O 3.17Å |
| 226 | I | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | trans | -95.9 | 134.2 | 178.9 | -59.2 | 174 | 0 | 0 | 0 | 108.2 | I240 I243 M251 V258 T287 V289 | I226-I240 HydrophobicContact CG2-CD1 4.1Å; I226-I240 PolarHBondContact O-N 3.5Å; I226-I243 HydrophobicContact CD1-CG2 4.2Å; I226-M251 HydrophobicContact CG2-CE 3.41Å; I226-M251 VanDerWaalsContact CG2-CE 3.41Å; I226-M251 HydrophobicContact CG2-SD 3.91Å; I226-V258 HydrophobicContact CG1-CG1 4.13Å; I226-V258 HydrophobicContact CG2-CG1 4.18Å; I226-T287 HydrophobicContact CB-CG2 4.11Å; I226-T287 HydrophobicContact CD1-CG2 4.12Å; I226-T287 HydrophobicContact CG1-CG2 4.28Å; I226-T287 PolarHBondContact N-OG1 3.42Å; I226-T287 PolarHBondContact O-OG1 2.98Å; I226-V289 HydrophobicContact CD1-CG2 4.03Å | ||
| 227 | Y | 93.4 | Very high | 93 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 157.6 | -176.8 | -78 | -107.9 | 0 | 0 | 0 | 111.4 | V223 P224 T229 P231 A237 K238 R239 M251 | V223-Y227 HydrophobicContact CG1-CD2 4.11Å; V223-Y227 HydrophobicContact CG1-CE2 3.88Å; P224-Y227 HydrophobicContact CG-CE2 4.28Å; P224-Y227 WeakPolarHBondContact CG-OH 3.21Å; Y227-T229 WeakPolarHBondContact CB-O 3.3Å; Y227-T229 PolarHBondContact O-N 3.08Å; Y227-T229 VanDerWaalsContact O-N 3.14Å; Y227-P231 HydrophobicContact CD1-CG 3.6Å; Y227-P231 HydrophobicContact CD2-CG 4.25Å; Y227-P231 HydrophobicContact CE1-CG 4Å; Y227-P231 HydrophobicContact CG-CG 3.73Å; Y227-A237 HydrophobicContact CD1-CB 4.27Å; Y227-K238 CarbonylContact C-O 3.5Å; Y227-K238 VanDerWaalsContact CA-O 3.29Å; Y227-K238 WeakPolarHBondContact CA-O 3.43Å; Y227-K238 VanDerWaalsContact CD1-C 3.48Å; Y227-R239 HydrophobicContact CD1-CB 4.36Å; Y227-R239 HydrophobicContact CE1-CB 4.05Å; Y227-R239 HydrophobicContact CE2-CB 4.27Å; Y227-R239 HydrophobicContact CE2-CG 4.31Å; Y227-M251 WeakPolarHBondContact O-CE 3.44Å |
| 228 | T | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -58.7 | -21.8 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | K238 I240 A301 L302 H444 F448 | T228-K238 HydrophobicContact CG2-CB 4.23Å; T228-K238 PolarHBondContact N-O 3.32Å; T228-K238 PolarHBondContact OG1-N 3.17Å; T228-K238 PolarHBondContact OG1-O 3.01Å; T228-I240 HydrophobicContact CG2-CG1 4.15Å; T228-A301 CarbonylContact O-C 3.52Å; T228-A301 WeakPolarHBondContact O-CA 3.01Å; T228-A301 WeakPolarHBondContact O-CB 3.34Å; T228-L302 PolarHBondContact O-N 2.89Å; T228-H444 PolarHBondContact OG1-NE2 3.45Å; T228-F448 HydrophobicContact CG2-CD1 3.95Å; T228-F448 HydrophobicContact CG2-CE1 4.32Å |
| 229 | T | 93.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -164.7 | 178.8 | 166.7 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | Y227 P231 V234 A237 L302 V440 | Y227-T229 WeakPolarHBondContact CB-O 3.3Å; Y227-T229 PolarHBondContact O-N 3.08Å; Y227-T229 VanDerWaalsContact O-N 3.14Å; T229-P231 WeakPolarHBondContact O-CD 3.3Å; T229-V234 HydrophobicContact CG2-CB 3.64Å; T229-V234 HydrophobicContact CG2-CG2 3.68Å; T229-A237 HydrophobicContact CG2-CB 3.79Å; T229-L302 WeakPolarHBondContact CA-O 3.37Å; T229-L302 PolarHBondContact OG1-O 3.23Å; T229-V440 WeakPolarHBondContact OG1-CG1 3.27Å |
| 230 | D | 91.5 | Very high | 92.6 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | trans | -62.9 | 117.4 | 174.4 | -171.4 | -26.7 | 0 | 0 | 0 | 110.2 | R232 V233 V234 | D230-R232 PolarHBondContact O-N 3.04Å; D230-R232 VanDerWaalsContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 WeakPolarHBondContact OD1-CG 3.29Å; D230-R232 IonicContact OD1-CZ 3.39Å; D230-R232 PolarHBondContact OD1-N 3.17Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.75Å; D230-R232 IonicContact OD2-CZ 3.49Å; D230-R232 IonicContact OD2-NE 3.49Å; D230-R232 PolarHBondContact OD2-NE 3.45Å; D230-R232 IonicContact OD2-NH2 2.72Å; D230-R232 PolarHBondContact OD2-NH2 2.67Å; D230-V233 HydrophobicContact CB-CB 4.38Å; D230-V233 HydrophobicContact CB-CG2 3.98Å; D230-V233 WeakPolarHBondContact O-CB 3.37Å; D230-V233 PolarHBondContact O-N 3.37Å; D230-V234 PolarHBondContact O-N 2.84Å; D230-V234 VanDerWaalsContact O-N 3.1Å | ||
| 231 | P | 91.2 | Very high | 92.5 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | -178.9 | -23.9 | 35.6 | 0 | 0 | 0 | 114.4 | Y227 T229 V234 A237 | Y227-P231 HydrophobicContact CD1-CG 3.6Å; Y227-P231 HydrophobicContact CD2-CG 4.25Å; Y227-P231 HydrophobicContact CE1-CG 4Å; Y227-P231 HydrophobicContact CG-CG 3.73Å; T229-P231 WeakPolarHBondContact O-CD 3.3Å; P231-V234 WeakPolarHBondContact CA-O 3.39Å; P231-V234 CarbonylContact O-C 3.44Å; P231-A237 HydrophobicContact CB-CB 4.26Å; P231-A237 HydrophobicContact CG-CB 4.15Å |
| 232 | R | 90.6 | Very high | 92.8 | Very high | 188 Ų | 188 | 53.9 Ų | 53.9 | 71% | 0.709 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23 | 173.1 | -59.5 | 172.3 | -67.4 | -163 | -3.8 | 112.7 | D230 | D230-R232 PolarHBondContact O-N 3.04Å; D230-R232 VanDerWaalsContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 WeakPolarHBondContact OD1-CG 3.29Å; D230-R232 IonicContact OD1-CZ 3.39Å; D230-R232 PolarHBondContact OD1-N 3.17Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.75Å; D230-R232 IonicContact OD2-CZ 3.49Å; D230-R232 IonicContact OD2-NE 3.49Å; D230-R232 PolarHBondContact OD2-NE 3.45Å; D230-R232 IonicContact OD2-NH2 2.72Å; D230-R232 PolarHBondContact OD2-NH2 2.67Å |
| 233 | V | 92.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -41.1 | 176.4 | 180 | 0 | 0 | 0 | 0 | 110.3 | D230 L304 E437 V440 Q441 | D230-V233 HydrophobicContact CB-CB 4.38Å; D230-V233 HydrophobicContact CB-CG2 3.98Å; D230-V233 WeakPolarHBondContact O-CB 3.37Å; D230-V233 PolarHBondContact O-N 3.37Å; V233-L304 HydrophobicContact CG2-CD2 4.48Å; V233-E437 HydrophobicContact CG1-CB 4.13Å; V233-E437 HydrophobicContact CG1-CG 4.14Å; V233-V440 HydrophobicContact CG1-CB 4.17Å; V233-V440 HydrophobicContact CG1-CG1 3.96Å; V233-Q441 WeakPolarHBondContact O-CG 3.29Å; V233-Q441 PolarHBondContact O-NE2 3.17Å |
| 234 | V | 95.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | trans | -130.1 | 111.8 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | T229 D230 P231 A236 A237 V440 Q441 H444 | T229-V234 HydrophobicContact CG2-CB 3.64Å; T229-V234 HydrophobicContact CG2-CG2 3.68Å; D230-V234 PolarHBondContact O-N 2.84Å; D230-V234 VanDerWaalsContact O-N 3.1Å; P231-V234 WeakPolarHBondContact CA-O 3.39Å; P231-V234 CarbonylContact O-C 3.44Å; V234-A236 HydrophobicContact CG1-CB 4.18Å; V234-A236 PolarHBondContact O-N 3.42Å; V234-A237 WeakPolarHBondContact O-CB 3.35Å; V234-A237 PolarHBondContact O-N 3.19Å; V234-V440 HydrophobicContact CG2-CG1 4.03Å; V234-Q441 HydrophobicContact CG2-CB 4.43Å; V234-Q441 HydrophobicContact CG2-CG 3.84Å; V234-H444 HydrophobicContact CG1-CB 4.1Å; V234-H444 HydrophobicContact CG2-CB 4.05Å | ||
| 235 | S | 93.9 | Very high | 93.5 | Very high | 121 Ų | 121 | 47 Ų | 47 | 85% | 0.846 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.2 | -179.7 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | A237 | S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.07Å |
| 236 | A | 96 | Very high | 93.3 | Very high | 36 Ų | 36 | 49 Ų | 49 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V234 K238 H444 E449 | V234-A236 HydrophobicContact CG1-CB 4.18Å; V234-A236 PolarHBondContact O-N 3.42Å; A236-K238 PolarHBondContact O-N 3.29Å; A236-H444 PolarHBondContact O-CE1 3.19Å; A236-E449 HydrophobicContact CB-CG 4.23Å; A236-E449 VanDerWaalsContact CB-OE1 3.27Å; A236-E449 WeakPolarHBondContact CB-OE1 3.27Å |
| 237 | A | 94.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 131.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y227 T229 P231 V234 S235 | Y227-A237 HydrophobicContact CD1-CB 4.27Å; T229-A237 HydrophobicContact CG2-CB 3.79Å; P231-A237 HydrophobicContact CB-CB 4.26Å; P231-A237 HydrophobicContact CG-CB 4.15Å; V234-A237 WeakPolarHBondContact O-CB 3.35Å; V234-A237 PolarHBondContact O-N 3.19Å; S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.07Å |
| 238 | K | 94.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 46.6 Ų | 46.6 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -103.5 | 143.2 | -176.9 | -63.6 | 173.1 | -174.6 | 162.8 | 0 | 109.4 | Y227 T228 A236 F448 | Y227-K238 CarbonylContact C-O 3.5Å; Y227-K238 VanDerWaalsContact CA-O 3.29Å; Y227-K238 WeakPolarHBondContact CA-O 3.43Å; Y227-K238 VanDerWaalsContact CD1-C 3.48Å; T228-K238 HydrophobicContact CG2-CB 4.23Å; T228-K238 PolarHBondContact N-O 3.32Å; T228-K238 PolarHBondContact OG1-N 3.17Å; T228-K238 PolarHBondContact OG1-O 3.01Å; A236-K238 PolarHBondContact O-N 3.29Å; K238-F448 PolarHBondContact NZ-O 3.32Å |
| 239 | R | 94.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 138.6 | 169.5 | -172.2 | -171.2 | 66.7 | -153.9 | -2.3 | 109 | P224 Y227 D241 A284 G286 | P224-R239 WeakPolarHBondContact O-CD 3.34Å; Y227-R239 HydrophobicContact CD1-CB 4.36Å; Y227-R239 HydrophobicContact CE1-CB 4.05Å; Y227-R239 HydrophobicContact CE2-CB 4.27Å; Y227-R239 HydrophobicContact CE2-CG 4.31Å; R239-D241 IonicContact CZ-OD1 3.43Å; R239-D241 VanDerWaalsContact CZ-OD1 3.32Å; R239-D241 IonicContact NE-OD1 2.67Å; R239-D241 PolarHBondContact NE-OD1 3.26Å; R239-D241 IonicContact NH2-OD1 3.37Å; R239-D241 PolarHBondContact NH2-OD1 3.04Å; R239-A284 PolarHBondContact NH1-O 2.76Å; R239-G286 PolarHBondContact NE-O 3.22Å |
| 240 | I | 94.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 118.2 | 171 | -58.2 | 168.3 | 0 | 0 | 0 | 107.4 | I226 T228 E242 I243 M251 T287 R300 A301 | I226-I240 HydrophobicContact CG2-CD1 4.1Å; I226-I240 PolarHBondContact O-N 3.5Å; T228-I240 HydrophobicContact CG2-CG1 4.15Å; I240-E242 VanDerWaalsContact CG2-O 3.24Å; I240-E242 WeakPolarHBondContact CG2-O 3.45Å; I240-I243 HydrophobicContact CD1-CD1 4.25Å; I240-I243 HydrophobicContact CG2-CB 3.93Å; I240-M251 HydrophobicContact CD1-CE 4.49Å; I240-M251 HydrophobicContact CD1-SD 4.41Å; I240-T287 VanDerWaalsContact O-CB 3.23Å; I240-T287 WeakPolarHBondContact O-CB 3.04Å; I240-T287 WeakPolarHBondContact O-CG2 3.48Å; I240-T287 PolarHBondContact O-OG1 3.45Å; I240-R300 HydrophobicContact CD1-CG 4.19Å; I240-A301 HydrophobicContact CD1-CB 4.35Å |
| 241 | D | 94.6 | Very high | 92 | Very high | 97 Ų | 97 | 46 Ų | 46 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -75.1 | -39.8 | -179.5 | -66.2 | -34.9 | 0 | 0 | 0 | 111.8 | R239 T287 L288 | R239-D241 IonicContact CZ-OD1 3.43Å; R239-D241 VanDerWaalsContact CZ-OD1 3.32Å; R239-D241 IonicContact NE-OD1 2.67Å; R239-D241 PolarHBondContact NE-OD1 3.26Å; R239-D241 IonicContact NH2-OD1 3.37Å; R239-D241 PolarHBondContact NH2-OD1 3.04Å; D241-T287 CarbonylContact O-C 3.52Å; D241-T287 WeakPolarHBondContact O-CA 3.37Å; D241-L288 PolarHBondContact O-N 3.39Å |
| 242 | E | 95.1 | Very high | 91.7 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.1 | 177.3 | -64.6 | -175.9 | -164.7 | 0 | 0 | 111.7 | I240 L288 T293 R300 | I240-E242 VanDerWaalsContact CG2-O 3.24Å; I240-E242 WeakPolarHBondContact CG2-O 3.45Å; E242-L288 WeakPolarHBondContact CA-O 3.38Å; E242-L288 HydrophobicContact CG-CB 4.35Å; E242-T293 HydrophobicContact CB-CG2 4.26Å; E242-R300 PolarHBondContact O-NH1 2.86Å |
| 243 | I | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.5 | -179.9 | -168.4 | 170.2 | 0 | 0 | 0 | 111.1 | I226 I240 E247 A248 M251 T287 L288 V289 C290 T293 R300 | I226-I243 HydrophobicContact CD1-CG2 4.2Å; I240-I243 HydrophobicContact CD1-CD1 4.25Å; I240-I243 HydrophobicContact CG2-CB 3.93Å; I243-E247 HydrophobicContact CD1-CB 3.89Å; I243-E247 HydrophobicContact CG1-CB 3.67Å; I243-A248 HydrophobicContact CD1-CB 4.2Å; I243-A248 HydrophobicContact CG2-CB 4.38Å; I243-M251 HydrophobicContact CD1-SD 3.5Å; I243-M251 VanDerWaalsContact CD1-SD 3.5Å; I243-T287 HydrophobicContact CB-CG2 4.33Å; I243-T287 HydrophobicContact CG2-CG2 3.54Å; I243-L288 PolarHBondContact N-O 3.38Å; I243-V289 HydrophobicContact CG2-CB 4.22Å; I243-V289 HydrophobicContact CG2-CG1 4.14Å; I243-V289 HydrophobicContact CG2-CG2 3.78Å; I243-V289 VanDerWaalsContact O-CA 3.3Å; I243-V289 WeakPolarHBondContact O-CA 2.93Å; I243-C290 PolarHBondContact O-N 3.31Å; I243-T293 VanDerWaalsContact C-CG2 3.41Å; I243-R300 HydrophobicContact CD1-CG 4.15Å |
| 244 | A | 92.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 150.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | A246 E247 A248 C290 T293 | A244-A246 PolarHBondContact O-N 3.39Å; A244-E247 HydrophobicContact CB-CG 4.17Å; A244-E247 VanDerWaalsContact CB-OE2 3.3Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.88Å; A244-E247 PolarHBondContact O-N 2.72Å; A244-A248 PolarHBondContact O-N 3.21Å; A244-C290 CarbonylContact C-O 3.57Å; A244-C290 WeakPolarHBondContact CA-O 3.42Å; A244-T293 HydrophobicContact CB-CG2 4.23Å |
| 245 | F | 91.1 | Very high | 89.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.9 | -38.3 | 176.1 | -77.4 | -59.9 | 0 | 0 | 0 | 112.3 | E247 A248 A249 L264 A267 V268 V274 V289 C290 N291 | F245-E247 VanDerWaalsContact C-N 3.34Å; F245-E247 PolarHBondContact O-N 2.75Å; F245-A248 PolarHBondContact O-N 3.46Å; F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 2.89Å; F245-L264 HydrophobicContact CD1-CB 4.4Å; F245-L264 HydrophobicContact CD1-CD1 4.19Å; F245-L264 HydrophobicContact CE1-CB 4.12Å; F245-L264 HydrophobicContact CE1-CD1 3.98Å; F245-A267 HydrophobicContact CZ-CB 4.28Å; F245-V268 HydrophobicContact CB-CG2 3.95Å; F245-V268 HydrophobicContact CD1-CG2 3.59Å; F245-V268 HydrophobicContact CD2-CB 3.98Å; F245-V268 HydrophobicContact CD2-CG1 3.94Å; F245-V268 HydrophobicContact CD2-CG2 3.43Å; F245-V268 VanDerWaalsContact CD2-CG2 3.43Å; F245-V268 HydrophobicContact CE1-CG2 3.89Å; F245-V268 HydrophobicContact CE2-CB 4.21Å; F245-V268 HydrophobicContact CE2-CG2 3.77Å; F245-V268 HydrophobicContact CG-CB 4.38Å; F245-V268 HydrophobicContact CG-CG1 4.4Å; F245-V268 HydrophobicContact CG-CG2 3.39Å; F245-V268 HydrophobicContact CZ-CG2 3.99Å; F245-V274 HydrophobicContact CE1-CB 4.44Å; F245-V274 HydrophobicContact CE1-CG2 3.9Å; F245-V274 HydrophobicContact CZ-CG2 3.88Å; F245-V289 HydrophobicContact CD1-CB 4.42Å; F245-V289 HydrophobicContact CD1-CG1 3.31Å; F245-V289 HydrophobicContact CE1-CB 4.12Å; F245-V289 HydrophobicContact CE1-CG1 3.48Å; F245-V289 VanDerWaalsContact CE1-CG1 3.48Å; F245-V289 HydrophobicContact CG-CG1 4.03Å; F245-V289 HydrophobicContact CZ-CG1 4.31Å; F245-C290 WeakPolarHBondContact CD2-O 3.21Å; F245-C290 PolarHBondContact N-O 3.25Å; F245-N291 HydrophobicContact CD2-CB 4.25Å; F245-N291 HydrophobicContact CE2-CB 4.49Å |
| 246 | A | 87.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 34.7 Ų | 34.7 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A244 A249 E250 | A244-A246 PolarHBondContact O-N 3.39Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-CG 3.28Å; A246-E250 WeakPolarHBondContact O-CG 3.33Å; A246-E250 PolarHBondContact O-N 3.4Å; A246-E250 VanDerWaalsContact O-N 3.14Å |
| 247 | E | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71 | -45 | -179.9 | -55.9 | 171.6 | 98.3 | 0 | 0 | 111.4 | I243 A244 F245 A249 E250 M251 R300 I392 N394 | I243-E247 HydrophobicContact CD1-CB 3.89Å; I243-E247 HydrophobicContact CG1-CB 3.67Å; A244-E247 HydrophobicContact CB-CG 4.17Å; A244-E247 VanDerWaalsContact CB-OE2 3.3Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.88Å; A244-E247 PolarHBondContact O-N 2.72Å; F245-E247 VanDerWaalsContact C-N 3.34Å; F245-E247 PolarHBondContact O-N 2.75Å; E247-A249 PolarHBondContact O-N 3.49Å; E247-E250 PolarHBondContact O-N 2.76Å; E247-M251 WeakPolarHBondContact O-CG 3.24Å; E247-M251 PolarHBondContact O-N 2.96Å; E247-R300 HydrophobicContact CB-CG 4.5Å; E247-R300 VanDerWaalsContact CD-NH2 3.3Å; E247-R300 WeakPolarHBondContact OE1-CG 3.42Å; E247-R300 IonicContact OE1-CZ 2.79Å; E247-R300 VanDerWaalsContact OE1-CZ 3.26Å; E247-R300 IonicContact OE1-NE 3.69Å; E247-R300 PolarHBondContact OE1-NE 3.45Å; E247-R300 IonicContact OE1-NH2 3.73Å; E247-R300 PolarHBondContact OE1-NH2 3.09Å; E247-R300 IonicContact OE2-CZ 3.63Å; E247-R300 IonicContact OE2-NE 3.18Å; E247-R300 PolarHBondContact OE2-NE 3.21Å; E247-R300 IonicContact OE2-NH2 2.71Å; E247-R300 PolarHBondContact OE2-NH2 3.05Å; E247-I392 HydrophobicContact CB-CG2 4.41Å; E247-N394 WeakPolarHBondContact CG-OD1 3.41Å; E247-N394 PolarHBondContact OE1-ND2 2.94Å; E247-N394 PolarHBondContact OE1-OD1 2.97Å |
| 248 | A | 89.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -32.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I243 A244 F245 M251 A252 V289 | I243-A248 HydrophobicContact CD1-CB 4.2Å; I243-A248 HydrophobicContact CG2-CB 4.38Å; A244-A248 PolarHBondContact O-N 3.21Å; F245-A248 PolarHBondContact O-N 3.46Å; A248-M251 PolarHBondContact O-N 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å; A248-V289 HydrophobicContact CB-CG1 4.12Å |
| 249 | A | 87 | Confident | 85 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F245 A246 E247 M251 A252 T253 P261 | F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 2.89Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.31Å; E247-A249 PolarHBondContact O-N 3.49Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-A252 PolarHBondContact O-N 2.98Å; A249-T253 WeakPolarHBondContact O-CB 3.26Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 2.9Å; A249-P261 HydrophobicContact CB-CB 3.51Å; A249-P261 HydrophobicContact CB-CG 3.56Å |
| 250 | E | 86.8 | Confident | 84.1 | Confident | 31 Ų | 31 | 40 Ų | 40 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.7 | -61.7 | -76.2 | -168.9 | 0 | 0 | 110.4 | A246 E247 A252 T253 F254 I392 S423 H425 N426 | A246-E250 VanDerWaalsContact O-CG 3.28Å; A246-E250 WeakPolarHBondContact O-CG 3.33Å; A246-E250 PolarHBondContact O-N 3.4Å; A246-E250 VanDerWaalsContact O-N 3.14Å; E247-E250 PolarHBondContact O-N 2.76Å; E250-A252 PolarHBondContact O-N 2.86Å; E250-T253 PolarHBondContact O-N 2.84Å; E250-F254 WeakPolarHBondContact O-CD2 3.43Å; E250-F254 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact OE2-CE2 3.23Å; E250-F254 WeakPolarHBondContact OE2-CE2 3.5Å; E250-I392 HydrophobicContact CB-CG1 4.23Å; E250-I392 HydrophobicContact CB-CG2 3.96Å; E250-S423 VanDerWaalsContact OE1-CB 3.31Å; E250-S423 WeakPolarHBondContact OE1-CB 3.19Å; E250-S423 PolarHBondContact OE1-OG 2.79Å; E250-H425 HydrophobicContact CG-CB 3.75Å; E250-N426 VanDerWaalsContact CD-ND2 3.33Å; E250-N426 PolarHBondContact OE1-ND2 3.46Å; E250-N426 PolarHBondContact OE2-ND2 2.98Å |
| 251 | M | 87.9 | Confident | 83 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 176.5 | -69.7 | -179.3 | 70.2 | 0 | 0 | 112.5 | I226 Y227 I240 I243 E247 A248 A249 F254 G255 A256 V258 A301 I392 | I226-M251 HydrophobicContact CG2-CE 3.41Å; I226-M251 VanDerWaalsContact CG2-CE 3.41Å; I226-M251 HydrophobicContact CG2-SD 3.91Å; Y227-M251 WeakPolarHBondContact O-CE 3.44Å; I240-M251 HydrophobicContact CD1-CE 4.49Å; I240-M251 HydrophobicContact CD1-SD 4.41Å; I243-M251 HydrophobicContact CD1-SD 3.5Å; I243-M251 VanDerWaalsContact CD1-SD 3.5Å; E247-M251 WeakPolarHBondContact O-CG 3.24Å; E247-M251 PolarHBondContact O-N 2.96Å; A248-M251 PolarHBondContact O-N 3.26Å; A249-M251 VanDerWaalsContact C-N 3.33Å; M251-F254 CarbonylContact O-C 3.6Å; M251-F254 PolarHBondContact O-N 2.78Å; M251-G255 PolarHBondContact O-N 3.47Å; M251-G255 VanDerWaalsContact O-N 3.16Å; M251-A256 HydrophobicContact CB-CB 3.9Å; M251-A256 HydrophobicContact CE-CB 4.24Å; M251-A256 WeakPolarHBondContact O-CB 3.36Å; M251-A256 PolarHBondContact O-N 2.85Å; M251-V258 HydrophobicContact CB-CG2 4.34Å; M251-A301 HydrophobicContact CE-CB 3.53Å; M251-A301 HydrophobicContact CG-CB 4.18Å; M251-A301 HydrophobicContact SD-CB 3.71Å; M251-I392 HydrophobicContact CG-CB 4.18Å; M251-I392 HydrophobicContact CG-CD1 3.93Å; M251-I392 HydrophobicContact CG-CG1 3.81Å; M251-I392 HydrophobicContact CG-CG2 4.11Å |
| 252 | A | 83.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -43.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A248 A249 E250 F254 G255 V258 L259 P261 | A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å; A249-A252 PolarHBondContact O-N 2.98Å; E250-A252 PolarHBondContact O-N 2.86Å; A252-F254 VanDerWaalsContact C-N 3.3Å; A252-F254 PolarHBondContact O-N 3.44Å; A252-G255 PolarHBondContact O-N 3.48Å; A252-V258 HydrophobicContact CB-CG2 3.75Å; A252-L259 VanDerWaalsContact CB-O 3.23Å; A252-L259 WeakPolarHBondContact CB-O 3.34Å; A252-P261 HydrophobicContact CB-CG 3.71Å |
| 253 | T | 80.7 | Confident | 81.8 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 178.7 | -56 | 0 | 0 | 0 | 0 | 110.8 | A249 E250 G255 R305 | A249-T253 WeakPolarHBondContact O-CB 3.26Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 2.9Å; E250-T253 PolarHBondContact O-N 2.84Å; T253-G255 VanDerWaalsContact C-N 3.35Å; T253-G255 PolarHBondContact O-N 3.4Å; T253-R305 PolarHBondContact O-NH1 2.84Å |
| 254 | F | 82.5 | Confident | 81.5 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 23.7 | -178.7 | -55.8 | -58.2 | 0 | 0 | 0 | 114.5 | E250 M251 A252 A303 R305 L341 L388 A390 N426 | E250-F254 WeakPolarHBondContact O-CD2 3.43Å; E250-F254 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact OE2-CE2 3.23Å; E250-F254 WeakPolarHBondContact OE2-CE2 3.5Å; M251-F254 CarbonylContact O-C 3.6Å; M251-F254 PolarHBondContact O-N 2.78Å; A252-F254 VanDerWaalsContact C-N 3.3Å; A252-F254 PolarHBondContact O-N 3.44Å; F254-A303 HydrophobicContact CB-CB 4.35Å; F254-A303 VanDerWaalsContact O-CB 3.28Å; F254-A303 WeakPolarHBondContact O-CB 3.46Å; F254-R305 WeakPolarHBondContact O-CD 3.31Å; F254-R305 VanDerWaalsContact O-CG 3.29Å; F254-R305 WeakPolarHBondContact O-CG 3.48Å; F254-L341 HydrophobicContact CD1-CD2 4.5Å; F254-L341 HydrophobicContact CE1-CD2 3.73Å; F254-L341 HydrophobicContact CZ-CD2 4.42Å; F254-L388 HydrophobicContact CD1-CD2 3.83Å; F254-A390 HydrophobicContact CB-CB 3.35Å; F254-A390 HydrophobicContact CD2-CB 3.89Å; F254-A390 HydrophobicContact CG-CB 3.7Å; F254-N426 HydrophobicContact CD2-CB 4.48Å; F254-N426 HydrophobicContact CE2-CB 3.98Å; F254-N426 WeakPolarHBondContact CE2-ND2 3.46Å |
| 255 | G | 72.3 | Confident | 81.4 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | 6.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | M251 A252 T253 K257 | M251-G255 PolarHBondContact O-N 3.47Å; M251-G255 VanDerWaalsContact O-N 3.16Å; A252-G255 PolarHBondContact O-N 3.48Å; T253-G255 VanDerWaalsContact C-N 3.35Å; T253-G255 PolarHBondContact O-N 3.4Å; G255-K257 PolarHBondContact O-N 3.11Å |
| 256 | A | 69.5 | Low | 81.6 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | trans | -57.8 | 128.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | M251 V258 A303 | M251-A256 HydrophobicContact CB-CB 3.9Å; M251-A256 HydrophobicContact CE-CB 4.24Å; M251-A256 WeakPolarHBondContact O-CB 3.36Å; M251-A256 PolarHBondContact O-N 2.85Å; A256-V258 HydrophobicContact CB-CB 4.4Å; A256-V258 HydrophobicContact CB-CG1 3.81Å; A256-V258 HydrophobicContact CB-CG2 3.81Å; A256-V258 PolarHBondContact O-N 3.23Å; A256-A303 HydrophobicContact CB-CB 4.29Å | ||
| 257 | K | 69.2 | Low | 82 | Confident | 195 Ų | 195 | 35.2 Ų | 35.2 | 85% | 0.848 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -73.4 | 63.8 | 173.1 | -69.6 | -174.9 | 176.8 | -176.8 | 0 | 109.2 | G255 | G255-K257 PolarHBondContact O-N 3.11Š|
| 258 | V | 68.4 | Low | 82.1 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -118.5 | -175.4 | -179 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | I226 M251 A252 A256 H260 | I226-V258 HydrophobicContact CG1-CG1 4.13Å; I226-V258 HydrophobicContact CG2-CG1 4.18Å; M251-V258 HydrophobicContact CB-CG2 4.34Å; A252-V258 HydrophobicContact CB-CG2 3.75Å; A256-V258 HydrophobicContact CB-CB 4.4Å; A256-V258 HydrophobicContact CB-CG1 3.81Å; A256-V258 HydrophobicContact CB-CG2 3.81Å; A256-V258 PolarHBondContact O-N 3.23Å; V258-H260 PolarHBondContact O-N 2.94Å |
| 259 | L | 74.5 | Confident | 82.3 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -59.7 | 131 | 178.6 | -60.4 | 172.1 | 0 | 0 | 0 | 111.1 | D202 I219 A252 L264 V274 V276 | D202-L259 HydrophobicContact CB-CD2 4.39Å; I219-L259 HydrophobicContact CB-CD1 4.45Å; I219-L259 HydrophobicContact CB-CD2 4.13Å; I219-L259 HydrophobicContact CG1-CD1 4.06Å; I219-L259 HydrophobicContact CG1-CD2 4.01Å; I219-L259 HydrophobicContact CG2-CD2 3.65Å; A252-L259 VanDerWaalsContact CB-O 3.23Å; A252-L259 WeakPolarHBondContact CB-O 3.34Å; L259-L264 HydrophobicContact CB-CD1 3.75Å; L259-L264 HydrophobicContact CB-CD2 4.4Å; L259-L264 HydrophobicContact CB-CG 4.19Å; L259-L264 HydrophobicContact CD1-CD1 3.71Å; L259-L264 HydrophobicContact CD1-CD2 4.07Å; L259-L264 HydrophobicContact CD1-CG 4.42Å; L259-L264 HydrophobicContact CG-CD1 4.36Å; L259-V274 HydrophobicContact CD1-CG1 3.98Å; L259-V276 HydrophobicContact CD1-CG2 3.44Å; L259-V276 VanDerWaalsContact CD1-CG2 3.44Å; L259-V276 HydrophobicContact CG-CG2 4.34Å | ||
| 260 | H | 75.3 | Confident | 82.7 | Confident | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | trans | -70.2 | 137.7 | 175.8 | -172.7 | -80.1 | 0 | 0 | 0 | 110 | V258 A262 T263 | V258-H260 PolarHBondContact O-N 2.94Å; H260-A262 VanDerWaalsContact CE1-CB 3.47Å; H260-A262 WeakPolarHBondContact CE1-CB 3.42Å; H260-A262 WeakPolarHBondContact ND1-CB 3.4Å; H260-A262 PolarHBondContact ND1-N 3.21Å; H260-A262 PolarHBondContact O-N 3.33Å; H260-T263 HydrophobicContact CB-CG2 4.03Å; H260-T263 PolarHBondContact O-N 3.36Å; H260-T263 PolarHBondContact O-OG1 3.05Å | ||
| 261 | P | 72.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.4 | -36.4 | -166.7 | -21 | 39.1 | 0 | 0 | 0 | 111.8 | A249 A252 T263 L264 L265 | A249-P261 HydrophobicContact CB-CB 3.51Å; A249-P261 HydrophobicContact CB-CG 3.56Å; A252-P261 HydrophobicContact CB-CG 3.71Å; P261-T263 PolarHBondContact O-N 2.75Å; P261-T263 VanDerWaalsContact O-N 3.16Å; P261-L264 PolarHBondContact O-N 3.4Å; P261-L265 PolarHBondContact O-N 2.82Å |
| 262 | A | 78.5 | Confident | 83.6 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.4 | -29 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H260 L264 L265 | H260-A262 VanDerWaalsContact CE1-CB 3.47Å; H260-A262 WeakPolarHBondContact CE1-CB 3.42Å; H260-A262 WeakPolarHBondContact ND1-CB 3.4Å; H260-A262 PolarHBondContact ND1-N 3.21Å; H260-A262 PolarHBondContact O-N 3.33Å; A262-L264 VanDerWaalsContact C-N 3.29Å; A262-L265 HydrophobicContact CB-CD1 4.36Å |
| 263 | T | 85.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.2 | -15.5 | 179 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | Y203 A206 H260 P261 | Y203-T263 WeakPolarHBondContact CA-O 3.23Å; A206-T263 VanDerWaalsContact CB-O 3.28Å; A206-T263 WeakPolarHBondContact CB-O 3.48Å; H260-T263 HydrophobicContact CB-CG2 4.03Å; H260-T263 PolarHBondContact O-N 3.36Å; H260-T263 PolarHBondContact O-OG1 3.05Å; P261-T263 PolarHBondContact O-N 2.75Å; P261-T263 VanDerWaalsContact O-N 3.16Å |
| 264 | L | 87.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -101.2 | -6.3 | 177 | -55.5 | -175.4 | 0 | 0 | 0 | 113.3 | F245 L259 P261 A262 P266 A267 V268 V274 | F245-L264 HydrophobicContact CD1-CB 4.4Å; F245-L264 HydrophobicContact CD1-CD1 4.19Å; F245-L264 HydrophobicContact CE1-CB 4.12Å; F245-L264 HydrophobicContact CE1-CD1 3.98Å; L259-L264 HydrophobicContact CB-CD1 3.75Å; L259-L264 HydrophobicContact CB-CD2 4.4Å; L259-L264 HydrophobicContact CB-CG 4.19Å; L259-L264 HydrophobicContact CD1-CD1 3.71Å; L259-L264 HydrophobicContact CD1-CD2 4.07Å; L259-L264 HydrophobicContact CD1-CG 4.42Å; L259-L264 HydrophobicContact CG-CD1 4.36Å; P261-L264 PolarHBondContact O-N 3.4Å; A262-L264 VanDerWaalsContact C-N 3.29Å; L264-P266 VanDerWaalsContact C-N 3.26Å; L264-P266 VanDerWaalsContact O-N 3.13Å; L264-A267 WeakPolarHBondContact O-CA 3.23Å; L264-A267 WeakPolarHBondContact O-CB 3.34Å; L264-A267 PolarHBondContact O-N 3.25Å; L264-V268 VanDerWaalsContact O-CG2 3.28Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.26Å; L264-V274 HydrophobicContact CD2-CG1 4.33Å; L264-V274 HydrophobicContact CD2-CG2 4.35Å |
| 265 | L | 91.3 | Very high | 85.6 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 51% | 0.508 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -47.2 | -40.4 | 177.9 | -76.8 | 175.7 | 0 | 0 | 0 | 114.5 | P261 A262 A267 V268 R269 | P261-L265 PolarHBondContact O-N 2.82Å; A262-L265 HydrophobicContact CB-CD1 4.36Å; L265-A267 PolarHBondContact O-N 2.99Å; L265-V268 PolarHBondContact O-N 3.42Å; L265-R269 WeakPolarHBondContact O-CG 3.39Å; L265-R269 PolarHBondContact O-N 2.89Å |
| 266 | P | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.3 | -23.7 | 34.9 | 0 | 0 | 0 | 113.2 | Y203 A206 L207 E210 L264 R269 S270 | Y203-P266 HydrophobicContact CD2-CG 3.91Å; Y203-P266 HydrophobicContact CE2-CG 3.52Å; A206-P266 HydrophobicContact CB-CB 3.97Å; A206-P266 HydrophobicContact CB-CG 4.02Å; A206-P266 WeakPolarHBondContact O-CB 3.26Å; L207-P266 HydrophobicContact CD2-CB 4.31Å; L207-P266 HydrophobicContact CD2-CG 3.66Å; L207-P266 HydrophobicContact CG-CG 3.89Å; E210-P266 HydrophobicContact CB-CB 4.11Å; L264-P266 VanDerWaalsContact C-N 3.26Å; L264-P266 VanDerWaalsContact O-N 3.13Å; P266-R269 WeakPolarHBondContact O-CG 3.18Å; P266-S270 PolarHBondContact O-N 2.79Å; P266-S270 PolarHBondContact O-OG 3.19Å |
| 267 | A | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A206 F245 L264 L265 R269 S270 D271 I272 V274 | A206-A267 HydrophobicContact CB-CB 4.42Å; F245-A267 HydrophobicContact CZ-CB 4.28Å; L264-A267 WeakPolarHBondContact O-CA 3.23Å; L264-A267 WeakPolarHBondContact O-CB 3.34Å; L264-A267 PolarHBondContact O-N 3.25Å; L265-A267 PolarHBondContact O-N 2.99Å; A267-R269 PolarHBondContact O-N 3.49Å; A267-S270 CarbonylContact O-C 3.27Å; A267-S270 PolarHBondContact O-N 3.21Å; A267-D271 PolarHBondContact O-N 3.35Å; A267-I272 HydrophobicContact CB-CB 4.19Å; A267-I272 PolarHBondContact O-N 2.82Å; A267-V274 HydrophobicContact CB-CG2 3.7Å |
| 268 | V | 92.8 | Very high | 89.1 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 22% | 0.218 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | F245 L264 L265 S270 D271 | F245-V268 HydrophobicContact CB-CG2 3.95Å; F245-V268 HydrophobicContact CD1-CG2 3.59Å; F245-V268 HydrophobicContact CD2-CB 3.98Å; F245-V268 HydrophobicContact CD2-CG1 3.94Å; F245-V268 HydrophobicContact CD2-CG2 3.43Å; F245-V268 VanDerWaalsContact CD2-CG2 3.43Å; F245-V268 HydrophobicContact CE1-CG2 3.89Å; F245-V268 HydrophobicContact CE2-CB 4.21Å; F245-V268 HydrophobicContact CE2-CG2 3.77Å; F245-V268 HydrophobicContact CG-CB 4.38Å; F245-V268 HydrophobicContact CG-CG1 4.4Å; F245-V268 HydrophobicContact CG-CG2 3.39Å; F245-V268 HydrophobicContact CZ-CG2 3.99Å; L264-V268 VanDerWaalsContact O-CG2 3.28Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.26Å; L265-V268 PolarHBondContact O-N 3.42Å; V268-S270 PolarHBondContact O-N 3Å; V268-D271 PolarHBondContact O-N 3.4Å |
| 269 | R | 93.8 | Very high | 90.4 | Very high | 130 Ų | 130 | 33.3 Ų | 33.3 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.4 | -19.8 | -176 | 69.2 | -170.6 | 175 | -154.3 | -1.5 | 113.7 | E210 L265 P266 A267 | E210-R269 VanDerWaalsContact CD-NE 3.32Å; E210-R269 WeakPolarHBondContact OE1-CD 3.36Å; E210-R269 WeakPolarHBondContact OE1-CG 3.37Å; E210-R269 IonicContact OE1-CZ 2.63Å; E210-R269 IonicContact OE1-NE 3.34Å; E210-R269 PolarHBondContact OE1-NE 2.99Å; E210-R269 IonicContact OE1-NH2 3.64Å; E210-R269 IonicContact OE2-CZ 3.95Å; E210-R269 IonicContact OE2-NE 3.57Å; E210-R269 PolarHBondContact OE2-NE 3.47Å; E210-R269 IonicContact OE2-NH2 3.9Å; E210-R269 PolarHBondContact OE2-NH2 3.05Å; L265-R269 WeakPolarHBondContact O-CG 3.39Å; L265-R269 PolarHBondContact O-N 2.89Å; P266-R269 WeakPolarHBondContact O-CG 3.18Å; A267-R269 PolarHBondContact O-N 3.49Å |
| 270 | S | 95.4 | Very high | 91.3 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 5.7 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | E210 P266 A267 V268 I272 | E210-S270 WeakPolarHBondContact CG-OG 3.06Å; E210-S270 PolarHBondContact OE1-OG 2.97Å; P266-S270 PolarHBondContact O-N 2.79Å; P266-S270 PolarHBondContact O-OG 3.19Å; A267-S270 CarbonylContact O-C 3.27Å; A267-S270 PolarHBondContact O-N 3.21Å; V268-S270 PolarHBondContact O-N 3Å; S270-I272 PolarHBondContact O-N 2.81Å |
| 271 | D | 95.2 | Very high | 92.1 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 58% | 0.578 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.7 | -177.6 | -151 | 45 | 0 | 0 | 0 | 113.5 | A267 V268 N291 | A267-D271 PolarHBondContact O-N 3.35Å; V268-D271 PolarHBondContact O-N 3.4Å; D271-N291 WeakPolarHBondContact OD1-CB 3.23Å; D271-N291 PolarHBondContact OD1-ND2 3.37Å |
| 272 | I | 97 | Very high | 93.1 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | -87.1 | 119.9 | 179.2 | -58.9 | 173.1 | 0 | 0 | 0 | 108.5 | A209 A214 V217 A267 S270 | A209-I272 HydrophobicContact CB-CD1 4.19Å; A214-I272 WeakPolarHBondContact O-CG1 3.12Å; V217-I272 HydrophobicContact CG2-CG2 4.08Å; A267-I272 HydrophobicContact CB-CB 4.19Å; A267-I272 PolarHBondContact O-N 2.82Å; S270-I272 PolarHBondContact O-N 2.81Å | ||
| 273 | P | 96.4 | Very high | 93.8 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | trans | -67 | 145.1 | 175.7 | 27.2 | -34.2 | 0 | 0 | 0 | 111.4 | S215 R216 V217 L288 V289 | S215-P273 VanDerWaalsContact O-CD 3.29Å; S215-P273 WeakPolarHBondContact O-CD 3.43Å; S215-P273 WeakPolarHBondContact O-CG 3.23Å; R216-P273 WeakPolarHBondContact CA-O 3.35Å; R216-P273 HydrophobicContact CB-CG 4.41Å; R216-P273 HydrophobicContact CG-CG 4.27Å; R216-P273 WeakPolarHBondContact CG-O 3.2Å; V217-P273 PolarHBondContact N-O 3.47Å; P273-L288 HydrophobicContact CB-CD1 4.07Å; P273-L288 HydrophobicContact CB-CG 4.43Å; P273-V289 WeakPolarHBondContact CA-O 3.28Å | ||
| 274 | V | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.3 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V217 I219 F245 L259 L264 A267 V289 | V217-V274 HydrophobicContact CB-CG1 4.28Å; V217-V274 HydrophobicContact CB-CG2 4.17Å; V217-V274 HydrophobicContact CG1-CG1 4.4Å; V217-V274 CarbonylContact O-C 3.52Å; V217-V274 VanDerWaalsContact O-CA 3.26Å; V217-V274 WeakPolarHBondContact O-CA 3.3Å; I219-V274 HydrophobicContact CG1-CG1 3.73Å; F245-V274 HydrophobicContact CE1-CB 4.44Å; F245-V274 HydrophobicContact CE1-CG2 3.9Å; F245-V274 HydrophobicContact CZ-CG2 3.88Å; L259-V274 HydrophobicContact CD1-CG1 3.98Å; L264-V274 HydrophobicContact CD2-CG1 4.33Å; L264-V274 HydrophobicContact CD2-CG2 4.35Å; A267-V274 HydrophobicContact CB-CG2 3.7Å; V274-V289 HydrophobicContact CB-CB 4.22Å; V274-V289 PolarHBondContact N-O 2.89Å; V274-V289 WeakPolarHBondContact O-CB 3.49Å; V274-V289 PolarHBondContact O-N 3.33Å |
| 275 | F | 96.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.3 | 172.8 | 176.2 | -103.1 | 0 | 0 | 0 | 110.5 | V217 D218 I219 W220 T287 L288 | V217-F275 PolarHBondContact O-N 2.77Å; D218-F275 CarbonylContact C-O 3.56Å; D218-F275 HydrophobicContact CB-CD1 4.46Å; D218-F275 WeakPolarHBondContact OD1-CB 3.37Å; I219-F275 PolarHBondContact N-O 2.88Å; W220-F275 HydrophobicContact CH2-CD1 4.48Å; W220-F275 AromaticContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CZ2-CD1 4.33Å; W220-F275 AromaticContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ3-CE1 4.05Å; F275-T287 CarbonylContact C-O 3.57Å; F275-T287 WeakPolarHBondContact CA-O 3.32Å; F275-L288 HydrophobicContact CB-CD1 4.24Å |
| 276 | V | 95.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.6 | 176.7 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | I219 T221 G225 L259 G286 T287 V289 | I219-V276 WeakPolarHBondContact O-CA 3.45Å; T221-V276 HydrophobicContact CG2-CG1 4.47Å; G225-V276 WeakPolarHBondContact CA-O 3.17Å; L259-V276 HydrophobicContact CD1-CG2 3.44Å; L259-V276 VanDerWaalsContact CD1-CG2 3.44Å; L259-V276 HydrophobicContact CG-CG2 4.34Å; V276-G286 CarbonylContact O-C 3.14Å; V276-G286 WeakPolarHBondContact O-CA 3.42Å; V276-T287 PolarHBondContact N-O 3.49Å; V276-T287 PolarHBondContact O-N 2.7Å; V276-V289 HydrophobicContact CG2-CG2 4.02Å |
| 277 | G | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I219 T221 V223 | I219-G277 PolarHBondContact O-N 3.03Å; T221-G277 PolarHBondContact N-O 2.95Å; T221-G277 PolarHBondContact OG1-O 3.07Å; V223-G277 CarbonylContact O-C 3.54Å |
| 278 | S | 94.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.9 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 111 | T221 D222 K280 D281 P282 | T221-S278 WeakPolarHBondContact O-CA 3.44Å; D222-S278 PolarHBondContact O-OG 3.09Å; S278-K280 PolarHBondContact O-N 3.11Å; S278-K280 PolarHBondContact OG-N 3.1Å; S278-D281 CarbonylContact O-C 3.41Å; S278-D281 VanDerWaalsContact O-C 3.27Å; S278-D281 PolarHBondContact O-N 3.48Å; S278-P282 WeakPolarHBondContact O-CA 3.32Å; S278-P282 VanDerWaalsContact O-N 3.16Å |
| 279 | S | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -73.5 | -12.2 | 172.7 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | S13 T221 | S13-S279 VanDerWaalsContact CB-OG 3.23Å; S13-S279 WeakPolarHBondContact CB-OG 3.49Å; S13-S279 WeakPolarHBondContact OG-CB 3.38Å; S13-S279 PolarHBondContact OG-OG 3.46Å; T221-S279 PolarHBondContact O-N 3.48Å |
| 280 | K | 93.3 | Very high | 94.7 | Very high | 124 Ų | 124 | 41.6 Ų | 41.6 | 54% | 0.539 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -85 | -27.6 | 174.9 | -66.7 | 179.4 | 179.1 | 174.5 | 0 | 112.2 | S278 | S278-K280 PolarHBondContact O-N 3.11Å; S278-K280 PolarHBondContact OG-N 3.1Å |
| 281 | D | 93.2 | Very high | 94.5 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 22% | 0.223 | S | C | . | . | trans | -142.5 | 71.4 | 178.2 | -167.6 | 2.8 | 0 | 0 | 0 | 111.1 | S278 R283 A284 | S278-D281 CarbonylContact O-C 3.41Å; S278-D281 VanDerWaalsContact O-C 3.27Å; S278-D281 PolarHBondContact O-N 3.48Å; D281-R283 PolarHBondContact O-N 2.83Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.39Å; D281-A284 PolarHBondContact O-N 3Å; D281-A284 VanDerWaalsContact O-N 3.14Å; D281-A284 PolarHBondContact OD1-N 2.66Å | ||
| 282 | P | 92.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.9 | -20.1 | -176.1 | 25.8 | -35.1 | 0 | 0 | 0 | 113.3 | I26 W220 S278 | I26-P282 HydrophobicContact CD1-CB 3.85Å; I26-P282 HydrophobicContact CD1-CG 4.02Å; I26-P282 HydrophobicContact CG1-CB 3.78Å; I26-P282 HydrophobicContact CG1-CG 3.87Å; W220-P282 HydrophobicContact CH2-CB 4.07Å; W220-P282 HydrophobicContact CZ3-CB 3.81Å; S278-P282 WeakPolarHBondContact O-CA 3.32Å; S278-P282 VanDerWaalsContact O-N 3.16Å |
| 283 | R | 92.9 | Very high | 94 | Very high | 231 Ų | 231 | 46.9 Ų | 46.9 | 87% | 0.872 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -83.9 | -13.6 | 178.6 | -64.1 | -178.3 | -59.8 | 175.9 | 1.9 | 113 | D281 G285 | D281-R283 PolarHBondContact O-N 2.83Å; R283-G285 PolarHBondContact O-N 3.26Å |
| 284 | A | 92.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -58.9 | -26 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P224 R239 D281 | P224-A284 HydrophobicContact CB-CB 3.8Å; R239-A284 PolarHBondContact NH1-O 2.76Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.39Å; D281-A284 PolarHBondContact O-N 3Å; D281-A284 VanDerWaalsContact O-N 3.14Å; D281-A284 PolarHBondContact OD1-N 2.66Å |
| 285 | G | 93.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 25% | 0.247 | 30% | 0.302 | C | S | . | . | trans | 95.4 | -152.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R283 | R283-G285 PolarHBondContact O-N 3.26Š| ||
| 286 | G | 95.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | -164 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R239 V276 | R239-G286 PolarHBondContact NE-O 3.22Å; V276-G286 CarbonylContact O-C 3.14Å; V276-G286 WeakPolarHBondContact O-CA 3.42Å |
| 287 | T | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.7 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | I226 I240 D241 I243 F275 V276 V289 | I226-T287 HydrophobicContact CB-CG2 4.11Å; I226-T287 HydrophobicContact CD1-CG2 4.12Å; I226-T287 HydrophobicContact CG1-CG2 4.28Å; I226-T287 PolarHBondContact N-OG1 3.42Å; I226-T287 PolarHBondContact O-OG1 2.98Å; I240-T287 VanDerWaalsContact O-CB 3.23Å; I240-T287 WeakPolarHBondContact O-CB 3.04Å; I240-T287 WeakPolarHBondContact O-CG2 3.48Å; I240-T287 PolarHBondContact O-OG1 3.45Å; D241-T287 CarbonylContact O-C 3.52Å; D241-T287 WeakPolarHBondContact O-CA 3.37Å; I243-T287 HydrophobicContact CB-CG2 4.33Å; I243-T287 HydrophobicContact CG2-CG2 3.54Å; F275-T287 CarbonylContact C-O 3.57Å; F275-T287 WeakPolarHBondContact CA-O 3.32Å; V276-T287 PolarHBondContact N-O 3.49Å; V276-T287 PolarHBondContact O-N 2.7Å; T287-V289 HydrophobicContact CG2-CG2 4.4Å |
| 288 | L | 95.7 | Very high | 93 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118 | 168.6 | -164 | 69.8 | 0 | 0 | 0 | 109.4 | D241 E242 I243 P273 F275 | D241-L288 PolarHBondContact O-N 3.39Å; E242-L288 WeakPolarHBondContact CA-O 3.38Å; E242-L288 HydrophobicContact CG-CB 4.35Å; I243-L288 PolarHBondContact N-O 3.38Å; P273-L288 HydrophobicContact CB-CD1 4.07Å; P273-L288 HydrophobicContact CB-CG 4.43Å; F275-L288 HydrophobicContact CB-CD1 4.24Å |
| 289 | V | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.5 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | I226 I243 F245 A248 P273 V274 V276 T287 | I226-V289 HydrophobicContact CD1-CG2 4.03Å; I243-V289 HydrophobicContact CG2-CB 4.22Å; I243-V289 HydrophobicContact CG2-CG1 4.14Å; I243-V289 HydrophobicContact CG2-CG2 3.78Å; I243-V289 VanDerWaalsContact O-CA 3.3Å; I243-V289 WeakPolarHBondContact O-CA 2.93Å; F245-V289 HydrophobicContact CD1-CB 4.42Å; F245-V289 HydrophobicContact CD1-CG1 3.31Å; F245-V289 HydrophobicContact CE1-CB 4.12Å; F245-V289 HydrophobicContact CE1-CG1 3.48Å; F245-V289 VanDerWaalsContact CE1-CG1 3.48Å; F245-V289 HydrophobicContact CG-CG1 4.03Å; F245-V289 HydrophobicContact CZ-CG1 4.31Å; A248-V289 HydrophobicContact CB-CG1 4.12Å; P273-V289 WeakPolarHBondContact CA-O 3.28Å; V274-V289 HydrophobicContact CB-CB 4.22Å; V274-V289 PolarHBondContact N-O 2.89Å; V274-V289 WeakPolarHBondContact O-CB 3.49Å; V274-V289 PolarHBondContact O-N 3.33Å; V276-V289 HydrophobicContact CG2-CG2 4.02Å; T287-V289 HydrophobicContact CG2-CG2 4.4Å |
| 290 | C | 94.2 | Very high | 93.1 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 167.9 | -175 | -66.7 | 0 | 0 | 0 | 0 | 111 | I243 A244 F245 K292 | I243-C290 PolarHBondContact O-N 3.31Å; A244-C290 CarbonylContact C-O 3.57Å; A244-C290 WeakPolarHBondContact CA-O 3.42Å; F245-C290 WeakPolarHBondContact CD2-O 3.21Å; F245-C290 PolarHBondContact N-O 3.25Å; C290-K292 VanDerWaalsContact C-N 3.34Å; C290-K292 WeakPolarHBondContact CB-O 3.37Å |
| 291 | N | 91.1 | Very high | 93.2 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -69 | -35 | 174.9 | -159.4 | 8.1 | 0 | 0 | 0 | 112.7 | F245 D271 | F245-N291 HydrophobicContact CD2-CB 4.25Å; F245-N291 HydrophobicContact CE2-CB 4.49Å; D271-N291 WeakPolarHBondContact OD1-CB 3.23Å; D271-N291 PolarHBondContact OD1-ND2 3.37Å |
| 292 | K | 89 | Confident | 93.3 | Very high | 177 Ų | 177 | 59 Ų | 59 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | trans | -139.1 | 153.4 | 174.6 | -62.5 | 179.6 | -177 | 174.1 | 0 | 109.1 | C290 | C290-K292 VanDerWaalsContact C-N 3.34Å; C290-K292 WeakPolarHBondContact CB-O 3.37Å | ||
| 293 | T | 90.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | trans | -120.6 | 149.8 | 170.3 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | E242 I243 A244 R300 | E242-T293 HydrophobicContact CB-CG2 4.26Å; I243-T293 VanDerWaalsContact C-CG2 3.41Å; A244-T293 HydrophobicContact CB-CG2 4.23Å; T293-R300 PolarHBondContact OG1-NH2 2.97Å | ||
| 294 | E | 89.6 | Confident | 93.4 | Very high | 170 Ų | 170 | 46.6 Ų | 46.6 | 79% | 0.794 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -74.8 | 138.2 | 171.2 | -61.7 | -167.9 | 168.1 | 0 | 0 | 110.3 | ||
| 295 | N | 89.6 | Confident | 93.3 | Very high | 150 Ų | 150 | 45.9 Ų | 45.9 | 80% | 0.802 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 48 | 58.3 | 175 | -53.8 | -55.2 | 0 | 0 | 0 | 114.2 | ||
| 296 | P | 92.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | trans | -60.8 | 134.6 | -177.7 | 27.3 | -35 | 0 | 0 | 0 | 111 | N394 | P296-N394 HydrophobicContact CB-CB 4.04Å; P296-N394 HydrophobicContact CG-CB 4.31Å | ||
| 297 | P | 94.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | trans | -70.7 | 153.3 | -177.5 | 31.4 | -35.6 | 0 | 0 | 0 | 111 | F299 R300 N394 | P297-F299 VanDerWaalsContact C-N 3.35Å; P297-F299 WeakPolarHBondContact CB-O 3.15Å; P297-F299 PolarHBondContact O-N 2.91Å; P297-R300 HydrophobicContact CG-CB 4.43Å; P297-N394 PolarHBondContact O-ND2 2.87Å | ||
| 298 | L | 94.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -59.8 | -46.6 | 176.2 | 178.8 | 61.3 | 0 | 0 | 0 | 111.2 | G393 N394 L396 A399 V402 | L298-G393 CarbonylContact O-C 3.39Å; L298-G393 WeakPolarHBondContact O-CA 3.3Å; L298-N394 WeakPolarHBondContact CD1-O 3.46Å; L298-N394 PolarHBondContact O-N 2.88Å; L298-L396 HydrophobicContact CD1-CD2 3.94Å; L298-L396 HydrophobicContact CG-CD2 4.31Å; L298-L396 WeakPolarHBondContact O-CD2 3.26Å; L298-A399 HydrophobicContact CD1-CB 3.49Å; L298-A399 VanDerWaalsContact CD1-CB 3.49Å; L298-A399 HydrophobicContact CD2-CB 4.09Å; L298-A399 HydrophobicContact CG-CB 4.47Å; L298-V402 HydrophobicContact CD1-CG2 4.36Å; L298-V402 HydrophobicContact CD2-CG2 4.18Å |
| 299 | F | 95.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.4 | 173.4 | -52.4 | -61.1 | 0 | 0 | 0 | 109.3 | P297 L391 L396 V402 E405 V406 L447 F448 | P297-F299 VanDerWaalsContact C-N 3.35Å; P297-F299 WeakPolarHBondContact CB-O 3.15Å; P297-F299 PolarHBondContact O-N 2.91Å; F299-L391 HydrophobicContact CB-CD1 4.39Å; F299-L391 HydrophobicContact CD1-CD1 3.94Å; F299-L391 HydrophobicContact CD1-CD2 3.71Å; F299-L391 HydrophobicContact CD1-CG 4.08Å; F299-L391 HydrophobicContact CE1-CD2 3.75Å; F299-L391 HydrophobicContact CG-CD1 4.49Å; F299-L396 HydrophobicContact CD1-CD2 3.84Å; F299-L396 HydrophobicContact CE1-CD2 3.81Å; F299-V402 HydrophobicContact CE1-CG1 4.17Å; F299-V402 HydrophobicContact CZ-CG2 4.44Å; F299-E405 WeakPolarHBondContact CE2-OE1 3.35Å; F299-V406 HydrophobicContact CE1-CG2 4.36Å; F299-L447 HydrophobicContact CD1-CD1 4.49Å; F299-L447 HydrophobicContact CD2-CB 4.15Å; F299-L447 HydrophobicContact CD2-CD2 3.96Å; F299-L447 HydrophobicContact CD2-CG 4.49Å; F299-L447 HydrophobicContact CE2-CD2 3.71Å; F299-L447 HydrophobicContact CG-CB 4.36Å; F299-L447 HydrophobicContact CG-CD1 4.49Å; F299-L447 HydrophobicContact CG-CD2 4.5Å; F299-L447 HydrophobicContact CZ-CD2 4.01Å; F299-F448 HydrophobicContact CB-CE1 3.99Å; F299-F448 HydrophobicContact CB-CE2 4.46Å; F299-F448 HydrophobicContact CB-CZ 3.8Å |
| 300 | R | 94.8 | Very high | 92.6 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -47.6 | -176.5 | 178.2 | 66 | 77.3 | 165.1 | 18.5 | 112.4 | I240 E242 I243 E247 T293 P297 I392 F448 | I240-R300 HydrophobicContact CD1-CG 4.19Å; E242-R300 PolarHBondContact O-NH1 2.86Å; I243-R300 HydrophobicContact CD1-CG 4.15Å; E247-R300 HydrophobicContact CB-CG 4.5Å; E247-R300 VanDerWaalsContact CD-NH2 3.3Å; E247-R300 WeakPolarHBondContact OE1-CG 3.42Å; E247-R300 IonicContact OE1-CZ 2.79Å; E247-R300 VanDerWaalsContact OE1-CZ 3.26Å; E247-R300 IonicContact OE1-NE 3.69Å; E247-R300 PolarHBondContact OE1-NE 3.45Å; E247-R300 IonicContact OE1-NH2 3.73Å; E247-R300 PolarHBondContact OE1-NH2 3.09Å; E247-R300 IonicContact OE2-CZ 3.63Å; E247-R300 IonicContact OE2-NE 3.18Å; E247-R300 PolarHBondContact OE2-NE 3.21Å; E247-R300 IonicContact OE2-NH2 2.71Å; E247-R300 PolarHBondContact OE2-NH2 3.05Å; T293-R300 PolarHBondContact OG1-NH2 2.97Å; P297-R300 HydrophobicContact CG-CB 4.43Å; R300-I392 WeakPolarHBondContact CA-O 3.17Å; R300-I392 PolarHBondContact N-O 2.83Å; R300-F448 WeakPolarHBondContact O-CE1 3.45Å |
| 301 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T228 I240 M251 I392 | T228-A301 CarbonylContact O-C 3.52Å; T228-A301 WeakPolarHBondContact O-CA 3.01Å; T228-A301 WeakPolarHBondContact O-CB 3.34Å; I240-A301 HydrophobicContact CD1-CB 4.35Å; M251-A301 HydrophobicContact CE-CB 3.53Å; M251-A301 HydrophobicContact CG-CB 4.18Å; M251-A301 HydrophobicContact SD-CB 3.71Å; A301-I392 HydrophobicContact CB-CB 4.43Å; A301-I392 HydrophobicContact CB-CD1 4.34Å; A301-I392 PolarHBondContact N-O 2.97Å; A301-I392 VanDerWaalsContact N-O 3.1Å; A301-I392 PolarHBondContact O-N 2.7Å |
| 302 | L | 95.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.5 | 167.8 | -72.1 | 160.7 | 0 | 0 | 0 | 108.4 | T228 T229 V389 A390 L391 V440 L443 H444 F448 | T228-L302 PolarHBondContact O-N 2.89Å; T229-L302 WeakPolarHBondContact CA-O 3.37Å; T229-L302 PolarHBondContact OG1-O 3.23Å; L302-V389 HydrophobicContact CD2-CG1 4.19Å; L302-A390 CarbonylContact C-O 3.58Å; L302-A390 VanDerWaalsContact CA-O 3.3Å; L302-A390 WeakPolarHBondContact CA-O 3.46Å; L302-L391 HydrophobicContact CD2-CB 4.07Å; L302-L391 HydrophobicContact CD2-CD1 3.8Å; L302-L391 HydrophobicContact CG-CD1 4.25Å; L302-V440 HydrophobicContact CB-CG1 4.41Å; L302-V440 HydrophobicContact CD1-CG1 4.38Å; L302-L443 HydrophobicContact CD1-CB 3.7Å; L302-L443 HydrophobicContact CD2-CB 4.23Å; L302-L443 HydrophobicContact CD2-CD1 4.09Å; L302-H444 HydrophobicContact CD1-CB 3.96Å; L302-F448 HydrophobicContact CD1-CD2 4.45Å; L302-F448 HydrophobicContact CD1-CE2 3.89Å; L302-F448 HydrophobicContact CG-CE2 3.99Å |
| 303 | A | 93.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F254 A256 V389 A390 I392 | F254-A303 HydrophobicContact CB-CB 4.35Å; F254-A303 VanDerWaalsContact O-CB 3.28Å; F254-A303 WeakPolarHBondContact O-CB 3.46Å; A256-A303 HydrophobicContact CB-CB 4.29Å; A303-V389 WeakPolarHBondContact O-CA 3.42Å; A303-A390 HydrophobicContact CB-CB 4.43Å; A303-A390 PolarHBondContact N-O 3.3Å; A303-A390 PolarHBondContact O-N 3.25Å; A303-I392 HydrophobicContact CB-CD1 3.81Å |
| 304 | L | 92.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117.1 | -177 | 172.9 | 61.9 | 0 | 0 | 0 | 110.5 | V233 R306 A387 L388 V389 A436 E437 V440 | V233-L304 HydrophobicContact CG2-CD2 4.48Å; L304-R306 HydrophobicContact CG-CG 4.42Å; L304-A387 HydrophobicContact CD1-CB 3.95Å; L304-L388 CarbonylContact C-O 3.59Å; L304-L388 WeakPolarHBondContact CA-O 3.46Å; L304-V389 HydrophobicContact CD1-CG2 3.97Å; L304-A436 HydrophobicContact CD1-CB 3.85Å; L304-E437 HydrophobicContact CD2-CG 4.43Å; L304-V440 HydrophobicContact CB-CG2 4.18Å; L304-V440 HydrophobicContact CD1-CG2 4.41Å; L304-V440 HydrophobicContact CD2-CG2 4.24Å; L304-V440 HydrophobicContact CG-CG2 4.5Å |
| 305 | R | 90.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | 166.8 | -64.1 | 173.3 | 68.1 | -177.5 | -9.8 | 109.8 | T253 F254 D340 D354 A387 L388 | T253-R305 PolarHBondContact O-NH1 2.84Å; F254-R305 WeakPolarHBondContact O-CD 3.31Å; F254-R305 VanDerWaalsContact O-CG 3.29Å; F254-R305 WeakPolarHBondContact O-CG 3.48Å; R305-D340 IonicContact CZ-OD2 3.53Å; R305-D340 IonicContact NH1-OD1 3.81Å; R305-D340 IonicContact NH1-OD2 3.18Å; R305-D340 PolarHBondContact NH1-OD2 2.52Å; R305-D340 IonicContact NH2-OD2 2.67Å; R305-D354 IonicContact CZ-OD1 3.19Å; R305-D354 IonicContact NH2-OD1 3.22Å; R305-D354 PolarHBondContact NH2-OD1 3.34Å; R305-A387 CarbonylContact O-C 3.13Å; R305-A387 VanDerWaalsContact O-CA 3.26Å; R305-A387 WeakPolarHBondContact O-CA 3.5Å; R305-L388 HydrophobicContact CB-CB 4.23Å; R305-L388 PolarHBondContact N-O 3.18Å; R305-L388 PolarHBondContact O-N 2.66Å |
| 306 | R | 90.5 | Very high | 92.9 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 174.2 | 175.3 | -62.2 | 178.5 | -177.9 | 77.4 | -8 | 110.4 | L304 Q308 E437 | L304-R306 HydrophobicContact CG-CG 4.42Å; R306-Q308 VanDerWaalsContact C-N 3.27Å; R306-Q308 PolarHBondContact O-N 2.93Å; R306-Q308 PolarHBondContact O-NE2 3.47Å; R306-E437 IonicContact CZ-OE1 3.49Å; R306-E437 IonicContact NE-OE1 3.45Å; R306-E437 IonicContact NH2-OE1 2.77Å; R306-E437 PolarHBondContact NH2-OE1 3.06Å |
| 307 | N | 90.1 | Very high | 92.3 | Very high | 126 Ų | 126 | 37.9 Ų | 37.9 | 67% | 0.674 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 43.2 | 172.9 | -55.1 | -20.6 | 0 | 0 | 0 | 113 | L386 | N307-L386 PolarHBondContact N-O 3.17Å; N307-L386 VanDerWaalsContact N-O 3.17Å |
| 308 | Q | 91 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.9 | 175 | -59.3 | -57.4 | -69 | 0 | 0 | 109.7 | R306 L386 L388 L430 | R306-Q308 VanDerWaalsContact C-N 3.27Å; R306-Q308 PolarHBondContact O-N 2.93Å; R306-Q308 PolarHBondContact O-NE2 3.47Å; Q308-L386 HydrophobicContact CB-CB 4.11Å; Q308-L386 PolarHBondContact N-O 3.28Å; Q308-L386 PolarHBondContact O-N 2.73Å; Q308-L388 HydrophobicContact CG-CB 3.82Å; Q308-L430 HydrophobicContact CB-CD2 4.29Å; Q308-L430 HydrophobicContact CG-CD2 4.36Å |
| 309 | T | 93.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.7 | 172.7 | -57.8 | 0 | 0 | 0 | 0 | 108 | T352 L353 L366 V382 E383 E384 | T309-T352 WeakPolarHBondContact O-CA 3.2Å; T309-L353 HydrophobicContact CG2-CD1 4.49Å; T309-L353 PolarHBondContact O-N 3.2Å; T309-L366 HydrophobicContact CG2-CD1 3.8Å; T309-L366 HydrophobicContact CG2-CG 4.44Å; T309-V382 HydrophobicContact CG2-CG1 4.05Å; T309-E383 CarbonylContact C-O 3.54Å; T309-E383 WeakPolarHBondContact CA-O 3.3Å; T309-E384 HydrophobicContact CG2-CG 4.17Å |
| 310 | L | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123 | 174.9 | 174.7 | 65.6 | 0 | 0 | 0 | 109.2 | A350 T352 E383 L386 R416 M417 L430 | L310-A350 HydrophobicContact CD1-CB 3.85Å; L310-T352 HydrophobicContact CD1-CG2 4.34Å; L310-E383 HydrophobicContact CB-CB 4.27Å; L310-E383 PolarHBondContact N-O 2.9Å; L310-E383 PolarHBondContact O-N 3.17Å; L310-L386 HydrophobicContact CB-CD1 3.56Å; L310-L386 HydrophobicContact CD2-CD1 4.1Å; L310-L386 HydrophobicContact CG-CD1 4.48Å; L310-R416 HydrophobicContact CD2-CG 3.81Å; L310-R416 VanDerWaalsContact CD2-CZ 3.5Å; L310-M417 HydrophobicContact CD1-SD 3.81Å; L310-L430 HydrophobicContact CB-CD1 4.37Å; L310-L430 HydrophobicContact CD1-CD1 4.17Å; L310-L430 HydrophobicContact CD2-CD1 4.38Å |
| 311 | L | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.2 | 175 | -172.4 | 71.9 | 0 | 0 | 0 | 108.5 | L313 A350 L351 L366 L374 V380 E381 V382 | L311-L313 HydrophobicContact CD1-CD2 4.31Å; L311-L313 HydrophobicContact CD2-CD1 4.48Å; L311-L313 HydrophobicContact CD2-CD2 3.96Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 3.81Å; L311-L313 HydrophobicContact CG-CG 4.26Å; L311-A350 CarbonylContact O-C 3.34Å; L311-A350 WeakPolarHBondContact O-CA 3.43Å; L311-L351 HydrophobicContact CB-CB 4.49Å; L311-L351 PolarHBondContact N-O 2.67Å; L311-L351 PolarHBondContact O-N 3.36Å; L311-L366 HydrophobicContact CD1-CD2 4.48Å; L311-L374 HydrophobicContact CD2-CD1 3.77Å; L311-V380 HydrophobicContact CD1-CG1 3.34Å; L311-V380 HydrophobicContact CG-CG1 4.34Å; L311-E381 WeakPolarHBondContact CA-O 3.22Å; L311-V382 HydrophobicContact CD1-CG2 3.83Å |
| 312 | T | 96.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.3 | 174 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | H314 V349 E381 | T312-H314 VanDerWaalsContact CG2-CE1 3.46Å; T312-H314 WeakPolarHBondContact CG2-CE1 3.5Å; T312-H314 VanDerWaalsContact CG2-NE2 3.3Å; T312-H314 WeakPolarHBondContact CG2-NE2 3.24Å; T312-V349 CarbonylContact C-O 3.53Å; T312-V349 WeakPolarHBondContact CA-O 3.49Å; T312-E381 PolarHBondContact N-O 2.86Å; T312-E381 PolarHBondContact O-N 2.83Å |
| 313 | L | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.2 | -179.3 | -56.2 | -177.8 | 0 | 0 | 0 | 108.8 | L311 F324 V328 S348 V349 L351 L374 V380 | L311-L313 HydrophobicContact CD1-CD2 4.31Å; L311-L313 HydrophobicContact CD2-CD1 4.48Å; L311-L313 HydrophobicContact CD2-CD2 3.96Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 3.81Å; L311-L313 HydrophobicContact CG-CG 4.26Å; L313-F324 HydrophobicContact CB-CZ 4.29Å; L313-V328 HydrophobicContact CD1-CB 4.22Å; L313-V328 HydrophobicContact CD1-CG1 3.43Å; L313-V328 VanDerWaalsContact CD1-CG1 3.43Å; L313-V328 HydrophobicContact CD1-CG2 3.64Å; L313-S348 CarbonylContact O-C 3.54Å; L313-S348 WeakPolarHBondContact O-CA 3.22Å; L313-S348 WeakPolarHBondContact O-CB 3.49Å; L313-V349 PolarHBondContact N-O 2.96Å; L313-V349 PolarHBondContact O-N 3.05Å; L313-L351 HydrophobicContact CD1-CD1 4.03Å; L313-L374 HydrophobicContact CD1-CD2 4.27Å; L313-L374 HydrophobicContact CD2-CD1 4.46Å; L313-V380 HydrophobicContact CD2-CB 4.31Å; L313-V380 HydrophobicContact CD2-CG1 4Å; L313-V380 HydrophobicContact CD2-CG2 3.87Å |
| 314 | H | 93.1 | Very high | 86.8 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.2 | -177.3 | -58.4 | -90.5 | 0 | 0 | 0 | 110.7 | T312 C378 R379 E381 | T312-H314 VanDerWaalsContact CG2-CE1 3.46Å; T312-H314 WeakPolarHBondContact CG2-CE1 3.5Å; T312-H314 VanDerWaalsContact CG2-NE2 3.3Å; T312-H314 WeakPolarHBondContact CG2-NE2 3.24Å; H314-C378 WeakPolarHBondContact O-CB 3.12Å; H314-R379 HydrophobicContact CB-CB 4.28Å; H314-R379 PolarHBondContact N-O 2.89Å; H314-R379 PolarHBondContact O-N 3.21Å; H314-E381 IonicContact CD2-OE2 3.89Å; H314-E381 IonicContact CE1-OE2 3.88Å; H314-E381 VanDerWaalsContact NE2-CD 3.29Å; H314-E381 IonicContact NE2-OE1 3.89Å; H314-E381 IonicContact NE2-OE2 2.84Å; H314-E381 PolarHBondContact NE2-OE2 3.4Å |
| 315 | S | 90.1 | Very high | 86.7 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -149.8 | 118.5 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | N317 M318 V347 | S315-N317 PolarHBondContact O-N 3.02Å; S315-N317 WeakPolarHBondContact OG-CB 3.34Å; S315-N317 PolarHBondContact OG-N 3.4Å; S315-M318 WeakPolarHBondContact O-CB 3.47Å; S315-M318 PolarHBondContact O-N 3.25Å; S315-V347 CarbonylContact C-O 3.47Å; S315-V347 PolarHBondContact N-O 3.44Å | ||
| 316 | L | 82.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -60.1 | -24.5 | 170.4 | -66.3 | 176.5 | 0 | 0 | 0 | 111.7 | M318 L319 V347 | L316-M318 PolarHBondContact O-N 2.76Å; L316-L319 WeakPolarHBondContact O-CB 3.46Å; L316-L319 PolarHBondContact O-N 2.86Å; L316-V347 HydrophobicContact CD2-CG1 4.21Å |
| 317 | N | 78.3 | Confident | 86.8 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -67.9 | -15.7 | 176.5 | -63.8 | -22 | 0 | 0 | 0 | 111.9 | S315 L319 S321 | S315-N317 PolarHBondContact O-N 3.02Å; S315-N317 WeakPolarHBondContact OG-CB 3.34Å; S315-N317 PolarHBondContact OG-N 3.4Å; N317-L319 PolarHBondContact O-N 3.23Å; N317-S321 WeakPolarHBondContact O-CB 3.29Å; N317-S321 PolarHBondContact O-OG 3.44Å |
| 318 | M | 78.8 | Confident | 87 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -60.3 | -29.5 | 172.1 | -74.8 | 179.1 | 65.3 | 0 | 0 | 112.6 | S315 L316 H320 F324 V347 V349 | S315-M318 WeakPolarHBondContact O-CB 3.47Å; S315-M318 PolarHBondContact O-N 3.25Å; L316-M318 PolarHBondContact O-N 2.76Å; M318-H320 PolarHBondContact O-N 3.21Å; M318-H320 VanDerWaalsContact O-N 3.13Å; M318-F324 HydrophobicContact CE-CD1 4.15Å; M318-F324 HydrophobicContact CE-CE1 4.35Å; M318-F324 HydrophobicContact CG-CB 4.09Å; M318-F324 HydrophobicContact CG-CD1 3.3Å; M318-F324 HydrophobicContact CG-CD2 4.07Å; M318-F324 HydrophobicContact CG-CE1 3.64Å; M318-F324 HydrophobicContact CG-CE2 4.35Å; M318-F324 HydrophobicContact CG-CG 3.53Å; M318-F324 HydrophobicContact CG-CZ 4.15Å; M318-F324 HydrophobicContact SD-CD1 3.58Å; M318-F324 VanDerWaalsContact SD-CD1 3.58Å; M318-F324 HydrophobicContact SD-CE1 3.41Å; M318-F324 WeakPolarHBondContact SD-CE1 3.28Å; M318-F324 HydrophobicContact SD-CG 4.4Å; M318-F324 HydrophobicContact SD-CZ 4.11Å; M318-V347 VanDerWaalsContact SD-C 3.53Å; M318-V349 HydrophobicContact CE-CG2 3.27Å; M318-V349 HydrophobicContact SD-CG2 3.66Å |
| 319 | L | 73.9 | Confident | 87.1 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 44% | 0.44 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 113.1 | 179.5 | -158.1 | 81 | 0 | 0 | 0 | 109.6 | L316 N317 S321 E346 V347 | L316-L319 WeakPolarHBondContact O-CB 3.46Å; L316-L319 PolarHBondContact O-N 2.86Å; N317-L319 PolarHBondContact O-N 3.23Å; L319-S321 PolarHBondContact O-N 2.73Å; L319-E346 HydrophobicContact CD1-CB 4.13Å; L319-V347 HydrophobicContact CD1-CG1 4.46Å |
| 320 | H | 70.3 | Confident | 87.2 | Confident | 179 Ų | 179 | 63.2 Ų | 63.2 | 83% | 0.829 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 1.6 | -179.7 | -51.2 | -59.8 | 0 | 0 | 0 | 117.3 | M318 | M318-H320 PolarHBondContact O-N 3.21Å; M318-H320 VanDerWaalsContact O-N 3.13Å |
| 321 | S | 72.3 | Confident | 87.1 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | trans | -83.2 | 156.4 | 170.3 | 78.3 | 0 | 0 | 0 | 0 | 112 | N317 L319 | N317-S321 WeakPolarHBondContact O-CB 3.29Å; N317-S321 PolarHBondContact O-OG 3.44Å; L319-S321 PolarHBondContact O-N 2.73Å | ||
| 322 | R | 78.3 | Confident | 87 | Confident | 249 Ų | 249 | 63.7 Ų | 63.7 | 94% | 0.94 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -108.5 | 137.8 | 170.4 | -59.9 | 177.1 | -176.4 | 178 | 0 | 107.4 | ||
| 323 | G | 85.9 | Confident | 86.8 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 109.3 | -18.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L325 A326 E327 | G323-L325 PolarHBondContact O-N 3.02Å; G323-A326 CarbonylContact O-C 3.56Å; G323-A326 WeakPolarHBondContact O-CA 3.46Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 3.14Å; G323-E327 PolarHBondContact O-N 3.14Å |
| 324 | F | 89.6 | Confident | 86.6 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -51.7 | -51.1 | -177.4 | -179.4 | -97 | 0 | 0 | 0 | 113.3 | L313 M318 A326 E327 V328 V349 L377 C378 | L313-F324 HydrophobicContact CB-CZ 4.29Å; M318-F324 HydrophobicContact CE-CD1 4.15Å; M318-F324 HydrophobicContact CE-CE1 4.35Å; M318-F324 HydrophobicContact CG-CB 4.09Å; M318-F324 HydrophobicContact CG-CD1 3.3Å; M318-F324 HydrophobicContact CG-CD2 4.07Å; M318-F324 HydrophobicContact CG-CE1 3.64Å; M318-F324 HydrophobicContact CG-CE2 4.35Å; M318-F324 HydrophobicContact CG-CG 3.53Å; M318-F324 HydrophobicContact CG-CZ 4.15Å; M318-F324 HydrophobicContact SD-CD1 3.58Å; M318-F324 VanDerWaalsContact SD-CD1 3.58Å; M318-F324 HydrophobicContact SD-CE1 3.41Å; M318-F324 WeakPolarHBondContact SD-CE1 3.28Å; M318-F324 HydrophobicContact SD-CG 4.4Å; M318-F324 HydrophobicContact SD-CZ 4.11Å; F324-A326 VanDerWaalsContact C-N 3.31Å; F324-A326 PolarHBondContact O-N 2.81Å; F324-E327 PolarHBondContact O-N 3.37Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CE2-CG2 4.31Å; F324-V328 HydrophobicContact CZ-CG2 3.85Å; F324-V328 WeakPolarHBondContact O-CG2 3.35Å; F324-V328 PolarHBondContact O-N 2.63Å; F324-V349 HydrophobicContact CD1-CG2 4.26Å; F324-V349 HydrophobicContact CE1-CG2 3.82Å; F324-L377 HydrophobicContact CD2-CD1 4.4Å; F324-L377 HydrophobicContact CD2-CD2 4.19Å; F324-L377 HydrophobicContact CD2-CG 4.2Å; F324-L377 HydrophobicContact CE2-CD1 4.48Å; F324-L377 HydrophobicContact CE2-CD2 3.94Å; F324-L377 HydrophobicContact CE2-CG 3.84Å; F324-C378 HydrophobicContact CE2-CB 3.91Å; F324-C378 HydrophobicContact CZ-CB 3.98Å |
| 325 | L | 89.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 37% | 0.366 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.5 | -68.4 | 178.1 | 0 | 0 | 0 | 111.9 | G323 E327 V328 F329 V349 | G323-L325 PolarHBondContact O-N 3.02Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.41Å; L325-V328 PolarHBondContact O-N 2.81Å; L325-F329 HydrophobicContact CB-CD2 4.38Å; L325-F329 HydrophobicContact CB-CE2 4.36Å; L325-F329 HydrophobicContact CD2-CE2 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.12Å; L325-F329 PolarHBondContact O-N 3.25Å; L325-V349 HydrophobicContact CD2-CB 4.37Å; L325-V349 HydrophobicContact CD2-CG1 4Å; L325-V349 HydrophobicContact CD2-CG2 3.49Å; L325-V349 VanDerWaalsContact CD2-CG2 3.49Å |
| 326 | A | 91.7 | Very high | 86.1 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.2 | -38.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G323 F324 G330 | G323-A326 CarbonylContact O-C 3.56Å; G323-A326 WeakPolarHBondContact O-CA 3.46Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 3.14Å; F324-A326 VanDerWaalsContact C-N 3.31Å; F324-A326 PolarHBondContact O-N 2.81Å; A326-G330 PolarHBondContact O-N 3.45Å |
| 327 | E | 92.8 | Very high | 86.3 | Confident | 104 Ų | 104 | 72.8 Ų | 72.8 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 174.6 | -70.6 | 177.8 | -116.1 | 0 | 0 | 111.1 | G323 F324 L325 G330 I331 L377 | G323-E327 PolarHBondContact O-N 3.14Å; F324-E327 PolarHBondContact O-N 3.37Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.41Å; E327-G330 PolarHBondContact O-N 3.06Å; E327-I331 VanDerWaalsContact O-CG1 3.32Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 2.82Å; E327-L377 HydrophobicContact CB-CD2 3.91Å; E327-L377 WeakPolarHBondContact OE2-CD1 3.39Å |
| 328 | V | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.3 | -53 | 175.7 | 169 | 0 | 0 | 0 | 0 | 111.3 | L313 F324 L325 G330 I331 L332 L351 L377 | L313-V328 HydrophobicContact CD1-CB 4.22Å; L313-V328 HydrophobicContact CD1-CG1 3.43Å; L313-V328 VanDerWaalsContact CD1-CG1 3.43Å; L313-V328 HydrophobicContact CD1-CG2 3.64Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CE2-CG2 4.31Å; F324-V328 HydrophobicContact CZ-CG2 3.85Å; F324-V328 WeakPolarHBondContact O-CG2 3.35Å; F324-V328 PolarHBondContact O-N 2.63Å; L325-V328 PolarHBondContact O-N 2.81Å; V328-G330 VanDerWaalsContact C-N 3.28Å; V328-G330 PolarHBondContact O-N 2.58Å; V328-I331 WeakPolarHBondContact O-CB 3.48Å; V328-I331 PolarHBondContact O-N 3.03Å; V328-L332 HydrophobicContact CG1-CD1 3.97Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.18Å; V328-L351 HydrophobicContact CG1-CD1 3.86Å; V328-L377 HydrophobicContact CG2-CD2 3.78Å |
| 329 | F | 93.2 | Very high | 87.1 | Confident | 73 Ų | 73 | 70 Ų | 70 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -32.6 | 178.6 | -74.7 | -66.3 | 0 | 0 | 0 | 112.3 | L325 L332 A333 V339 I342 L351 | L325-F329 HydrophobicContact CB-CD2 4.38Å; L325-F329 HydrophobicContact CB-CE2 4.36Å; L325-F329 HydrophobicContact CD2-CE2 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.12Å; L325-F329 PolarHBondContact O-N 3.25Å; F329-L332 HydrophobicContact CD1-CD1 4.39Å; F329-L332 PolarHBondContact O-N 2.63Å; F329-A333 VanDerWaalsContact O-CB 3.26Å; F329-A333 WeakPolarHBondContact O-CB 3.38Å; F329-A333 PolarHBondContact O-N 2.79Å; F329-V339 HydrophobicContact CD1-CG2 4.29Å; F329-V339 HydrophobicContact CE1-CB 4.09Å; F329-V339 HydrophobicContact CE1-CG1 4.26Å; F329-V339 HydrophobicContact CE1-CG2 3.83Å; F329-I342 HydrophobicContact CE1-CD1 4.08Å; F329-I342 HydrophobicContact CZ-CD1 3.51Å; F329-I342 HydrophobicContact CZ-CG1 4.18Å; F329-L351 HydrophobicContact CZ-CD2 4.3Å |
| 330 | G | 94.8 | Very high | 87.7 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A326 E327 V328 R334 | A326-G330 PolarHBondContact O-N 3.45Å; E327-G330 PolarHBondContact O-N 3.06Å; V328-G330 VanDerWaalsContact C-N 3.28Å; V328-G330 PolarHBondContact O-N 2.58Å; G330-R334 WeakPolarHBondContact O-CG 3.34Å; G330-R334 PolarHBondContact O-N 3.4Å; G330-R334 PolarHBondContact O-NH1 3.26Å; G330-R334 VanDerWaalsContact O-NH1 3.09Å |
| 331 | I | 94.5 | Very high | 88.8 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -54.9 | 172.4 | -67.9 | 164.7 | 0 | 0 | 0 | 109.2 | E327 V328 A333 R334 H335 L370 E373 L374 L377 | E327-I331 VanDerWaalsContact O-CG1 3.32Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 2.82Å; V328-I331 WeakPolarHBondContact O-CB 3.48Å; V328-I331 PolarHBondContact O-N 3.03Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.45Å; I331-R334 VanDerWaalsContact CG1-NH2 3.29Å; I331-R334 WeakPolarHBondContact O-CB 3.28Å; I331-R334 PolarHBondContact O-N 3.05Å; I331-H335 PolarHBondContact O-CD2 2.92Å; I331-H335 VanDerWaalsContact O-CD2 3.26Å; I331-H335 PolarHBondContact O-N 2.8Å; I331-L370 HydrophobicContact CG2-CD1 3.87Å; I331-E373 HydrophobicContact CD1-CG 4.03Å; I331-E373 HydrophobicContact CG1-CG 3.95Å; I331-E373 HydrophobicContact CG2-CB 4.18Å; I331-E373 HydrophobicContact CG2-CG 4.05Å; I331-L374 HydrophobicContact CB-CD2 4.23Å; I331-L374 HydrophobicContact CD1-CD2 4.03Å; I331-L374 HydrophobicContact CG2-CD2 3.87Å; I331-L374 HydrophobicContact CG2-CG 4.02Å; I331-L377 HydrophobicContact CD1-CD2 4.14Å |
| 332 | L | 93 | Very high | 89.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -42.4 | -178.5 | -66.6 | 168.8 | 0 | 0 | 0 | 112.3 | V328 F329 R334 H335 N336 I337 V339 L351 L353 L370 | V328-L332 HydrophobicContact CG1-CD1 3.97Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.18Å; F329-L332 HydrophobicContact CD1-CD1 4.39Å; F329-L332 PolarHBondContact O-N 2.63Å; L332-R334 PolarHBondContact O-N 2.9Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 PolarHBondContact O-N 3.04Å; L332-N336 PolarHBondContact O-N 3.27Å; L332-N336 VanDerWaalsContact O-N 3.17Å; L332-I337 HydrophobicContact CB-CB 4.36Å; L332-I337 HydrophobicContact CD2-CB 4.12Å; L332-I337 HydrophobicContact CD2-CD1 4.33Å; L332-I337 HydrophobicContact CD2-CG2 3.96Å; L332-I337 PolarHBondContact O-N 2.96Å; L332-V339 HydrophobicContact CD1-CG2 3.55Å; L332-L351 HydrophobicContact CD1-CD1 4.03Å; L332-L353 HydrophobicContact CD2-CD2 4.49Å; L332-L370 HydrophobicContact CD2-CD1 4Å |
| 333 | A | 91 | Very high | 90.4 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F329 I331 H335 N336 | F329-A333 VanDerWaalsContact O-CB 3.26Å; F329-A333 WeakPolarHBondContact O-CB 3.38Å; F329-A333 PolarHBondContact O-N 2.79Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.45Å; A333-H335 VanDerWaalsContact C-N 3.27Å; A333-H335 PolarHBondContact O-N 3.02Å; A333-N336 PolarHBondContact O-N 3.5Å; A333-N336 VanDerWaalsContact O-N 3.07Å |
| 334 | R | 92.1 | Very high | 90.7 | Very high | 152 Ų | 152 | 53.8 Ų | 53.8 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.2 | -33.2 | 175.5 | -76.9 | -169.8 | -64.8 | -82.1 | 10 | 112.6 | G330 I331 L332 N336 E373 | G330-R334 WeakPolarHBondContact O-CG 3.34Å; G330-R334 PolarHBondContact O-N 3.4Å; G330-R334 PolarHBondContact O-NH1 3.26Å; G330-R334 VanDerWaalsContact O-NH1 3.09Å; I331-R334 VanDerWaalsContact CG1-NH2 3.29Å; I331-R334 WeakPolarHBondContact O-CB 3.28Å; I331-R334 PolarHBondContact O-N 3.05Å; L332-R334 PolarHBondContact O-N 2.9Å; R334-N336 VanDerWaalsContact C-N 3.26Å; R334-E373 IonicContact CZ-OE1 2.72Å; R334-E373 IonicContact NE-OE1 2.67Å; R334-E373 PolarHBondContact NE-OE1 3.22Å; R334-E373 IonicContact NH2-OE1 3.39Å; R334-E373 PolarHBondContact NH2-OE1 2.66Å |
| 335 | H | 89.9 | Confident | 90.6 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 7 | 174.7 | -69.4 | -84.1 | 0 | 0 | 0 | 113.1 | I331 L332 A333 I337 L370 E373 | I331-H335 PolarHBondContact O-CD2 2.92Å; I331-H335 VanDerWaalsContact O-CD2 3.26Å; I331-H335 PolarHBondContact O-N 2.8Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 PolarHBondContact O-N 3.04Å; A333-H335 VanDerWaalsContact C-N 3.27Å; A333-H335 PolarHBondContact O-N 3.02Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.13Å; H335-I337 PolarHBondContact O-N 2.65Å; H335-L370 HydrophobicContact CB-CD1 3.99Å; H335-E373 IonicContact CD2-OE2 3.54Å; H335-E373 IonicContact CE1-OE2 3.95Å; H335-E373 IonicContact NE2-OE2 2.98Å; H335-E373 PolarHBondContact NE2-OE2 2.73Å |
| 336 | N | 83.4 | Confident | 90.4 | Very high | 131 Ų | 131 | 60 Ų | 60 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.2 | -176.2 | -62.7 | -55.2 | 0 | 0 | 0 | 114.2 | L332 A333 R334 | L332-N336 PolarHBondContact O-N 3.27Å; L332-N336 VanDerWaalsContact O-N 3.17Å; A333-N336 PolarHBondContact O-N 3.5Å; A333-N336 VanDerWaalsContact O-N 3.07Å; R334-N336 VanDerWaalsContact C-N 3.26Å |
| 337 | I | 86.1 | Confident | 90.2 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | trans | -94.8 | 125 | 178.6 | -62.5 | 175.5 | 0 | 0 | 0 | 109.5 | L332 H335 L353 L365 L370 | L332-I337 HydrophobicContact CB-CB 4.36Å; L332-I337 HydrophobicContact CD2-CB 4.12Å; L332-I337 HydrophobicContact CD2-CD1 4.33Å; L332-I337 HydrophobicContact CD2-CG2 3.96Å; L332-I337 PolarHBondContact O-N 2.96Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.13Å; H335-I337 PolarHBondContact O-N 2.65Å; I337-L353 HydrophobicContact CG2-CB 4.34Å; I337-L353 HydrophobicContact CG2-CD1 4.34Å; I337-L353 HydrophobicContact CG2-CD2 3.84Å; I337-L353 HydrophobicContact CG2-CG 4.39Å; I337-L365 WeakPolarHBondContact CD1-O 3.47Å; I337-L370 HydrophobicContact CD1-CD1 3.91Å; I337-L370 HydrophobicContact CD1-CD2 3.19Å; I337-L370 HydrophobicContact CD1-CG 4.05Å | ||
| 338 | S | 84.7 | Confident | 90.1 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 145.8 | 171.6 | -179 | 0 | 0 | 0 | 0 | 110.2 | D354 | S338-D354 PolarHBondContact O-N 2.97Å |
| 339 | V | 88.7 | Confident | 90.2 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.5 | 178.6 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | F329 L332 I342 L351 T352 | F329-V339 HydrophobicContact CD1-CG2 4.29Å; F329-V339 HydrophobicContact CE1-CB 4.09Å; F329-V339 HydrophobicContact CE1-CG1 4.26Å; F329-V339 HydrophobicContact CE1-CG2 3.83Å; L332-V339 HydrophobicContact CD1-CG2 3.55Å; V339-I342 HydrophobicContact CG1-CD1 4.08Å; V339-I342 HydrophobicContact CG1-CG1 3.58Å; V339-L351 HydrophobicContact CG1-CB 4.31Å; V339-L351 HydrophobicContact CG1-CD2 4.01Å; V339-T352 WeakPolarHBondContact CA-O 3.42Å |
| 340 | D | 87.3 | Confident | 90.3 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -67.4 | -179.3 | -170.2 | 9.8 | 0 | 0 | 0 | 111 | R305 T352 D354 | R305-D340 IonicContact CZ-OD2 3.53Å; R305-D340 IonicContact NH1-OD1 3.81Å; R305-D340 IonicContact NH1-OD2 3.18Å; R305-D340 PolarHBondContact NH1-OD2 2.52Å; R305-D340 IonicContact NH2-OD2 2.67Å; D340-T352 WeakPolarHBondContact CB-OG1 3.28Å; D340-T352 PolarHBondContact N-O 3.08Å; D340-D354 HydrophobicContact CB-CB 4.4Å |
| 341 | L | 91.7 | Very high | 90.3 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 147.6 | 177.6 | -57.2 | -176.5 | 0 | 0 | 0 | 112.4 | F254 L351 T352 L388 M417 C419 C428 | F254-L341 HydrophobicContact CD1-CD2 4.5Å; F254-L341 HydrophobicContact CE1-CD2 3.73Å; F254-L341 HydrophobicContact CZ-CD2 4.42Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 VanDerWaalsContact O-CA 3.28Å; L341-L351 WeakPolarHBondContact O-CA 3.28Å; L341-T352 HydrophobicContact CB-CG2 4.31Å; L341-T352 VanDerWaalsContact CB-OG1 3.28Å; L341-T352 WeakPolarHBondContact CB-OG1 3.32Å; L341-T352 PolarHBondContact N-OG1 2.94Å; L341-T352 PolarHBondContact O-N 3.16Å; L341-L388 HydrophobicContact CD1-CD1 3.5Å; L341-L388 HydrophobicContact CD1-CD2 4.08Å; L341-L388 HydrophobicContact CD1-CG 4.4Å; L341-L388 HydrophobicContact CG-CD2 4.29Å; L341-M417 HydrophobicContact CB-CE 3.82Å; L341-C419 HydrophobicContact CD1-CB 4.45Å; L341-C419 HydrophobicContact CD2-CB 4.26Å; L341-C428 HydrophobicContact CD1-CB 4.13Å; L341-C428 HydrophobicContact CD2-CB 4.1Å |
| 342 | I | 93.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.8 | 178.5 | -54.9 | 160.2 | 0 | 0 | 0 | 108.5 | F329 V339 T344 V349 A350 L351 | F329-I342 HydrophobicContact CE1-CD1 4.08Å; F329-I342 HydrophobicContact CZ-CD1 3.51Å; F329-I342 HydrophobicContact CZ-CG1 4.18Å; V339-I342 HydrophobicContact CG1-CD1 4.08Å; V339-I342 HydrophobicContact CG1-CG1 3.58Å; I342-T344 HydrophobicContact CG2-CG2 4.31Å; I342-V349 HydrophobicContact CG2-CG1 4.13Å; I342-A350 WeakPolarHBondContact CA-O 3.29Å; I342-L351 HydrophobicContact CB-CD2 4.05Å; I342-L351 HydrophobicContact CG1-CD2 3.61Å; I342-L351 HydrophobicContact CG2-CD2 3.75Å |
| 343 | T | 92.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.9 | 162.8 | -166.9 | 0 | 0 | 0 | 0 | 110 | A350 M417 | T343-A350 HydrophobicContact CG2-CB 3.64Å; T343-A350 PolarHBondContact N-O 3.2Å; T343-A350 PolarHBondContact O-N 3.17Å; T343-M417 HydrophobicContact CG2-CE 3.54Å; T343-M417 HydrophobicContact CG2-CG 3.96Å; T343-M417 HydrophobicContact CG2-SD 3.96Å |
| 344 | T | 90.4 | Very high | 89.3 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 52% | 0.515 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.5 | -174.8 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | I342 V349 | I342-T344 HydrophobicContact CG2-CG2 4.31Å; T344-V349 HydrophobicContact CG2-CG1 4.18Å; T344-V349 HydrophobicContact CG2-CG2 4.39Å |
| 345 | S | 88 | Confident | 88 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -103 | -175.5 | 158.5 | 82.4 | 0 | 0 | 0 | 0 | 109.6 | V347 S348 | S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 PolarHBondContact OG-N 3.39Å; S345-S348 PolarHBondContact N-O 3.37Å; S345-S348 PolarHBondContact OG-N 3.07Å; S345-S348 PolarHBondContact OG-OG 2.89Å | ||
| 346 | E | 85.1 | Confident | 86.4 | Confident | 156 Ų | 156 | 44.9 Ų | 44.9 | 73% | 0.729 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -63.2 | -26.4 | 175.6 | -62.9 | -176.3 | 165.4 | 0 | 0 | 113.4 | L319 | L319-E346 HydrophobicContact CD1-CB 4.13Š|
| 347 | V | 88.8 | Confident | 84.7 | Confident | 50 Ų | 50 | 41 Ų | 41 | 30% | 0.303 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -133 | 3.6 | -171.7 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | S315 L316 M318 L319 S345 | S315-V347 CarbonylContact C-O 3.47Å; S315-V347 PolarHBondContact N-O 3.44Å; L316-V347 HydrophobicContact CD2-CG1 4.21Å; M318-V347 VanDerWaalsContact SD-C 3.53Å; L319-V347 HydrophobicContact CD1-CG1 4.46Å; S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 PolarHBondContact OG-N 3.39Å |
| 348 | S | 91.2 | Very high | 82.5 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155 | -180 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | L313 S345 | L313-S348 CarbonylContact O-C 3.54Å; L313-S348 WeakPolarHBondContact O-CA 3.22Å; L313-S348 WeakPolarHBondContact O-CB 3.49Å; S345-S348 PolarHBondContact N-O 3.37Å; S345-S348 PolarHBondContact OG-N 3.07Å; S345-S348 PolarHBondContact OG-OG 2.89Å |
| 349 | V | 93.7 | Very high | 80.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.8 | 173.8 | -168.9 | 0 | 0 | 0 | 0 | 108.3 | T312 L313 M318 F324 L325 I342 T344 L351 | T312-V349 CarbonylContact C-O 3.53Å; T312-V349 WeakPolarHBondContact CA-O 3.49Å; L313-V349 PolarHBondContact N-O 2.96Å; L313-V349 PolarHBondContact O-N 3.05Å; M318-V349 HydrophobicContact CE-CG2 3.27Å; M318-V349 HydrophobicContact SD-CG2 3.66Å; F324-V349 HydrophobicContact CD1-CG2 4.26Å; F324-V349 HydrophobicContact CE1-CG2 3.82Å; L325-V349 HydrophobicContact CD2-CB 4.37Å; L325-V349 HydrophobicContact CD2-CG1 4Å; L325-V349 HydrophobicContact CD2-CG2 3.49Å; L325-V349 VanDerWaalsContact CD2-CG2 3.49Å; I342-V349 HydrophobicContact CG2-CG1 4.13Å; T344-V349 HydrophobicContact CG2-CG1 4.18Å; T344-V349 HydrophobicContact CG2-CG2 4.39Å; V349-L351 HydrophobicContact CG1-CD1 4.42Å; V349-L351 HydrophobicContact CG1-CD2 3.57Å; V349-L351 HydrophobicContact CG1-CG 3.87Å |
| 350 | A | 95.3 | Very high | 77.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L310 L311 I342 T343 M417 | L310-A350 HydrophobicContact CD1-CB 3.85Å; L311-A350 CarbonylContact O-C 3.34Å; L311-A350 WeakPolarHBondContact O-CA 3.43Å; I342-A350 WeakPolarHBondContact CA-O 3.29Å; T343-A350 HydrophobicContact CG2-CB 3.64Å; T343-A350 PolarHBondContact N-O 3.2Å; T343-A350 PolarHBondContact O-N 3.17Å; A350-M417 HydrophobicContact CB-SD 4.23Å |
| 351 | L | 94.9 | Very high | 75.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.1 | -173.4 | -55.1 | 171 | 0 | 0 | 0 | 109.9 | L311 L313 V328 F329 L332 V339 L341 I342 V349 | L311-L351 HydrophobicContact CB-CB 4.49Å; L311-L351 PolarHBondContact N-O 2.67Å; L311-L351 PolarHBondContact O-N 3.36Å; L313-L351 HydrophobicContact CD1-CD1 4.03Å; V328-L351 HydrophobicContact CG1-CD1 3.86Å; F329-L351 HydrophobicContact CZ-CD2 4.3Å; L332-L351 HydrophobicContact CD1-CD1 4.03Å; V339-L351 HydrophobicContact CG1-CB 4.31Å; V339-L351 HydrophobicContact CG1-CD2 4.01Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 VanDerWaalsContact O-CA 3.28Å; L341-L351 WeakPolarHBondContact O-CA 3.28Å; I342-L351 HydrophobicContact CB-CD2 4.05Å; I342-L351 HydrophobicContact CG1-CD2 3.61Å; I342-L351 HydrophobicContact CG2-CD2 3.75Å; V349-L351 HydrophobicContact CG1-CD1 4.42Å; V349-L351 HydrophobicContact CG1-CD2 3.57Å; V349-L351 HydrophobicContact CG1-CG 3.87Å |
| 352 | T | 92.7 | Very high | 73.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 141.3 | 162.9 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | T309 L310 V339 D340 L341 L430 | T309-T352 WeakPolarHBondContact O-CA 3.2Å; L310-T352 HydrophobicContact CD1-CG2 4.34Å; V339-T352 WeakPolarHBondContact CA-O 3.42Å; D340-T352 WeakPolarHBondContact CB-OG1 3.28Å; D340-T352 PolarHBondContact N-O 3.08Å; L341-T352 HydrophobicContact CB-CG2 4.31Å; L341-T352 VanDerWaalsContact CB-OG1 3.28Å; L341-T352 WeakPolarHBondContact CB-OG1 3.32Å; L341-T352 PolarHBondContact N-OG1 2.94Å; L341-T352 PolarHBondContact O-N 3.16Å; T352-L430 HydrophobicContact CG2-CD1 3.43Å; T352-L430 VanDerWaalsContact CG2-CD1 3.43Å; T352-L430 HydrophobicContact CG2-CD2 4.06Å; T352-L430 HydrophobicContact CG2-CG 4.23Å |
| 353 | L | 88.4 | Confident | 71 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.6 | -178.7 | -51.5 | -175.1 | 0 | 0 | 0 | 110.4 | T309 L332 I337 T355 L365 L366 | T309-L353 HydrophobicContact CG2-CD1 4.49Å; T309-L353 PolarHBondContact O-N 3.2Å; L332-L353 HydrophobicContact CD2-CD2 4.49Å; I337-L353 HydrophobicContact CG2-CB 4.34Å; I337-L353 HydrophobicContact CG2-CD1 4.34Å; I337-L353 HydrophobicContact CG2-CD2 3.84Å; I337-L353 HydrophobicContact CG2-CG 4.39Å; L353-T355 PolarHBondContact O-N 3.33Å; L353-L365 HydrophobicContact CB-CD1 3.9Å; L353-L365 HydrophobicContact CD1-CB 4.46Å; L353-L366 HydrophobicContact CD1-CD2 3.65Å; L353-L366 HydrophobicContact CD1-CG 4.31Å |
| 354 | D | 77.1 | Confident | 69.5 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 106.5 | 175.1 | 175.7 | 29.5 | 0 | 0 | 0 | 110.9 | R305 S338 D340 T356 G357 | R305-D354 IonicContact CZ-OD1 3.19Å; R305-D354 IonicContact NH2-OD1 3.22Å; R305-D354 PolarHBondContact NH2-OD1 3.34Å; S338-D354 PolarHBondContact O-N 2.97Å; D340-D354 HydrophobicContact CB-CB 4.4Å; D354-T356 VanDerWaalsContact CG-OG1 3.32Å; D354-T356 PolarHBondContact O-N 3.04Å; D354-T356 WeakPolarHBondContact OD1-CB 3.3Å; D354-T356 PolarHBondContact OD1-N 2.96Å; D354-T356 PolarHBondContact OD1-OG1 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å; D354-G357 PolarHBondContact OD2-N 2.93Å |
| 355 | T | 65.1 | Low | 68.6 | Low | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.9 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | L353 L365 | L353-T355 PolarHBondContact O-N 3.33Å; T355-L365 HydrophobicContact CG2-CD1 3.37Å; T355-L365 HydrophobicContact CG2-CG 4.31Å |
| 356 | T | 55.3 | Low | 68.3 | Low | 66 Ų | 66 | 53.1 Ų | 53.1 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -24.9 | -172.1 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | R198 D354 | R198-T356 PolarHBondContact NH2-O 2.81Å; D354-T356 VanDerWaalsContact CG-OG1 3.32Å; D354-T356 PolarHBondContact O-N 3.04Å; D354-T356 WeakPolarHBondContact OD1-CB 3.3Å; D354-T356 PolarHBondContact OD1-N 2.96Å; D354-T356 PolarHBondContact OD1-OG1 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å |
| 357 | G | 48 | Very low | 68.3 | Low | 51 Ų | 51 | 48.2 Ų | 48.2 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -16.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D354 | D354-G357 PolarHBondContact OD2-N 2.93Š|
| 358 | S | 41 | Very low | 68.3 | Low | 30 Ų | 30 | 53.4 Ų | 53.4 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -75.9 | 128.5 | 167.9 | -63.3 | 0 | 0 | 0 | 0 | 107.8 | L365 | S358-L365 WeakPolarHBondContact OG-CD2 3.19Š|
| 359 | T | 36.6 | Very low | 68.4 | Low | 110 Ų | 110 | 55.5 Ų | 55.5 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | trans | -46.2 | 153.4 | 175.6 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | T361 | T359-T361 PolarHBondContact O-N 2.71Å; T359-T361 PolarHBondContact O-OG1 3.19Å | ||
| 360 | S | 36.4 | Very low | 68.3 | Low | 97 Ų | 97 | 55.5 Ų | 55.5 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -50.2 | 11.7 | -176.7 | 45.2 | 0 | 0 | 0 | 0 | 118.2 | G362 | S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 VanDerWaalsContact O-N 3.1Å |
| 361 | T | 40.4 | Very low | 68.2 | Low | 81 Ų | 81 | 56.8 Ų | 56.8 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -59.3 | 111.9 | 166.2 | 50.6 | 0 | 0 | 0 | 0 | 108.1 | T359 D363 | T359-T361 PolarHBondContact O-N 2.71Å; T359-T361 PolarHBondContact O-OG1 3.19Å; T361-D363 PolarHBondContact O-N 3.27Å | ||
| 362 | G | 41.1 | Very low | 68.2 | Low | 87 Ų | 87 | 64 Ų | 64 | 90% | 0.897 | 40% | 0.399 | S | S | * | . | trans | -63.5 | 17.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S360 | S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 VanDerWaalsContact O-N 3.1Å | ||
| 363 | D | 49.4 | Very low | 68.3 | Low | 123 Ų | 123 | 67 Ų | 67 | 66% | 0.658 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -73.7 | 140.4 | 175 | -71.5 | -28.8 | 0 | 0 | 0 | 109.8 | T361 L365 | T361-D363 PolarHBondContact O-N 3.27Å; D363-L365 PolarHBondContact O-N 3Å |
| 364 | T | 61.8 | Low | 68.7 | Low | 102 Ų | 102 | 67 Ų | 67 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | trans | -58.3 | 122.7 | 172.9 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | L366 | T364-L366 CarbonylContact O-C 3.53Å; T364-L366 PolarHBondContact O-N 3.26Å | ||
| 365 | L | 70.9 | Confident | 69.5 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -46.9 | -33.1 | 178.5 | -72.6 | 175.7 | 0 | 0 | 0 | 113.1 | I337 L353 T355 S358 D363 T367 | I337-L365 WeakPolarHBondContact CD1-O 3.47Å; L353-L365 HydrophobicContact CB-CD1 3.9Å; L353-L365 HydrophobicContact CD1-CB 4.46Å; T355-L365 HydrophobicContact CG2-CD1 3.37Å; T355-L365 HydrophobicContact CG2-CG 4.31Å; S358-L365 WeakPolarHBondContact OG-CD2 3.19Å; D363-L365 PolarHBondContact O-N 3Å; L365-T367 PolarHBondContact O-N 2.94Å; L365-T367 VanDerWaalsContact O-N 3.16Å |
| 366 | L | 81.7 | Confident | 70.9 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.094 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -83.8 | 80.9 | 177 | -63.9 | 176.9 | 0 | 0 | 0 | 110.9 | T309 L311 L353 T364 L370 L371 V382 | T309-L366 HydrophobicContact CG2-CD1 3.8Å; T309-L366 HydrophobicContact CG2-CG 4.44Å; L311-L366 HydrophobicContact CD1-CD2 4.48Å; L353-L366 HydrophobicContact CD1-CD2 3.65Å; L353-L366 HydrophobicContact CD1-CG 4.31Å; T364-L366 CarbonylContact O-C 3.53Å; T364-L366 PolarHBondContact O-N 3.26Å; L366-L370 HydrophobicContact CD2-CD2 3.78Å; L366-L371 HydrophobicContact CB-CD1 4.33Å; L366-L371 HydrophobicContact CB-CG 4.42Å; L366-L371 HydrophobicContact CD2-CD2 4.11Å; L366-V382 HydrophobicContact CD1-CB 4.26Å; L366-V382 HydrophobicContact CD1-CG1 3.34Å; L366-V382 HydrophobicContact CD1-CG2 3.87Å |
| 367 | T | 85.5 | Confident | 72.6 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | trans | -66.2 | 150.9 | 170.8 | 65 | 0 | 0 | 0 | 0 | 110.7 | L365 S369 L370 L371 | L365-T367 PolarHBondContact O-N 2.94Å; L365-T367 VanDerWaalsContact O-N 3.16Å; T367-S369 PolarHBondContact O-N 3.4Å; T367-S369 PolarHBondContact OG1-OG 2.88Å; T367-L370 PolarHBondContact O-N 2.86Å; T367-L370 VanDerWaalsContact OG1-CB 3.32Å; T367-L370 WeakPolarHBondContact OG1-CB 3.29Å; T367-L370 PolarHBondContact OG1-N 2.89Å; T367-L370 VanDerWaalsContact OG1-N 3.11Å; T367-L371 PolarHBondContact O-N 2.88Å; T367-L371 VanDerWaalsContact O-N 3.08Å | ||
| 368 | Q | 88.7 | Confident | 74.7 | Confident | 160 Ų | 160 | 67.8 Ų | 67.8 | 75% | 0.748 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.4 | -34.9 | 173.7 | -70.7 | -64.7 | -32.9 | 0 | 0 | 111.6 | L371 M372 | Q368-L371 PolarHBondContact O-N 3.16Å; Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 PolarHBondContact O-N 2.87Å |
| 369 | S | 92.2 | Very high | 77.3 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 47% | 0.469 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | T367 M372 E373 | T367-S369 PolarHBondContact O-N 3.4Å; T367-S369 PolarHBondContact OG1-OG 2.88Å; S369-M372 PolarHBondContact O-N 3.14Å; S369-E373 PolarHBondContact O-N 2.93Å |
| 370 | L | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.8 | -51.5 | 175.6 | 173.2 | 74.8 | 0 | 0 | 0 | 110.9 | I331 L332 H335 I337 L366 T367 M372 E373 L374 | I331-L370 HydrophobicContact CG2-CD1 3.87Å; L332-L370 HydrophobicContact CD2-CD1 4Å; H335-L370 HydrophobicContact CB-CD1 3.99Å; I337-L370 HydrophobicContact CD1-CD1 3.91Å; I337-L370 HydrophobicContact CD1-CD2 3.19Å; I337-L370 HydrophobicContact CD1-CG 4.05Å; L366-L370 HydrophobicContact CD2-CD2 3.78Å; T367-L370 PolarHBondContact O-N 2.86Å; T367-L370 VanDerWaalsContact OG1-CB 3.32Å; T367-L370 WeakPolarHBondContact OG1-CB 3.29Å; T367-L370 PolarHBondContact OG1-N 2.89Å; T367-L370 VanDerWaalsContact OG1-N 3.11Å; L370-M372 VanDerWaalsContact C-N 3.27Å; L370-M372 PolarHBondContact O-N 3.1Å; L370-E373 PolarHBondContact O-N 2.8Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CD2-CD1 4.39Å; L370-L374 HydrophobicContact CG-CD1 3.87Å; L370-L374 HydrophobicContact CG-CG 4.48Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 2.86Å |
| 371 | L | 93.5 | Very high | 82.9 | Confident | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | -177.7 | -70.5 | 177 | 0 | 0 | 0 | 111.3 | L366 T367 Q368 S375 V380 V382 | L366-L371 HydrophobicContact CB-CD1 4.33Å; L366-L371 HydrophobicContact CB-CG 4.42Å; L366-L371 HydrophobicContact CD2-CD2 4.11Å; T367-L371 PolarHBondContact O-N 2.88Å; T367-L371 VanDerWaalsContact O-N 3.08Å; Q368-L371 PolarHBondContact O-N 3.16Å; L371-S375 WeakPolarHBondContact O-CB 3.26Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 2.77Å; L371-V380 HydrophobicContact CD2-CG1 4.13Å; L371-V382 HydrophobicContact CD2-CG2 4.11Å |
| 372 | M | 94.4 | Very high | 85.5 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 74% | 0.739 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 175.7 | -174.6 | 177.2 | -179.9 | 0 | 0 | 112 | Q368 S369 L370 S375 A376 | Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 PolarHBondContact O-N 2.87Å; S369-M372 PolarHBondContact O-N 3.14Å; L370-M372 VanDerWaalsContact C-N 3.27Å; L370-M372 PolarHBondContact O-N 3.1Å; M372-S375 PolarHBondContact O-N 3.02Å; M372-A376 PolarHBondContact O-N 2.84Å |
| 373 | E | 95.5 | Very high | 88.1 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | -179.5 | -164.5 | 175.6 | -172.6 | 0 | 0 | 112 | I331 R334 H335 S369 L370 A376 | I331-E373 HydrophobicContact CD1-CG 4.03Å; I331-E373 HydrophobicContact CG1-CG 3.95Å; I331-E373 HydrophobicContact CG2-CB 4.18Å; I331-E373 HydrophobicContact CG2-CG 4.05Å; R334-E373 IonicContact CZ-OE1 2.72Å; R334-E373 IonicContact NE-OE1 2.67Å; R334-E373 PolarHBondContact NE-OE1 3.22Å; R334-E373 IonicContact NH2-OE1 3.39Å; R334-E373 PolarHBondContact NH2-OE1 2.66Å; H335-E373 IonicContact CD2-OE2 3.54Å; H335-E373 IonicContact CE1-OE2 3.95Å; H335-E373 IonicContact NE2-OE2 2.98Å; H335-E373 PolarHBondContact NE2-OE2 2.73Å; S369-E373 PolarHBondContact O-N 2.93Å; L370-E373 PolarHBondContact O-N 2.8Å; E373-A376 PolarHBondContact O-N 3.18Å |
| 374 | L | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174 | -70.1 | 172.1 | 0 | 0 | 0 | 112.2 | L311 L313 I331 L370 A376 L377 C378 V380 | L311-L374 HydrophobicContact CD2-CD1 3.77Å; L313-L374 HydrophobicContact CD1-CD2 4.27Å; L313-L374 HydrophobicContact CD2-CD1 4.46Å; I331-L374 HydrophobicContact CB-CD2 4.23Å; I331-L374 HydrophobicContact CD1-CD2 4.03Å; I331-L374 HydrophobicContact CG2-CD2 3.87Å; I331-L374 HydrophobicContact CG2-CG 4.02Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CD2-CD1 4.39Å; L370-L374 HydrophobicContact CG-CD1 3.87Å; L370-L374 HydrophobicContact CG-CG 4.48Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 2.86Å; L374-A376 PolarHBondContact O-N 3.1Å; L374-L377 WeakPolarHBondContact O-CB 3.16Å; L374-L377 PolarHBondContact O-N 3.46Å; L374-C378 PolarHBondContact O-N 3.26Å; L374-C378 PolarHBondContact O-SG 3.19Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; L374-V380 HydrophobicContact CB-CG2 3.69Å |
| 375 | S | 95 | Very high | 91.7 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.5 | -25.1 | 179 | -63.6 | 0 | 0 | 0 | 0 | 113 | L371 M372 L377 C378 | L371-S375 WeakPolarHBondContact O-CB 3.26Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 2.77Å; M372-S375 PolarHBondContact O-N 3.02Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-C378 CarbonylContact C-O 3.54Å; S375-C378 VanDerWaalsContact CA-O 3.28Å; S375-C378 WeakPolarHBondContact CA-O 3.38Å |
| 376 | A | 94.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 77% | 0.769 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.1 | -25.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M372 E373 L374 | M372-A376 PolarHBondContact O-N 2.84Å; E373-A376 PolarHBondContact O-N 3.18Å; L374-A376 PolarHBondContact O-N 3.1Å |
| 377 | L | 90.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -92.2 | -36.3 | 179.7 | -177.6 | 64 | 0 | 0 | 0 | 112.9 | F324 E327 V328 I331 L374 S375 | F324-L377 HydrophobicContact CD2-CD1 4.4Å; F324-L377 HydrophobicContact CD2-CD2 4.19Å; F324-L377 HydrophobicContact CD2-CG 4.2Å; F324-L377 HydrophobicContact CE2-CD1 4.48Å; F324-L377 HydrophobicContact CE2-CD2 3.94Å; F324-L377 HydrophobicContact CE2-CG 3.84Å; E327-L377 HydrophobicContact CB-CD2 3.91Å; E327-L377 WeakPolarHBondContact OE2-CD1 3.39Å; V328-L377 HydrophobicContact CG2-CD2 3.78Å; I331-L377 HydrophobicContact CD1-CD2 4.14Å; L374-L377 WeakPolarHBondContact O-CB 3.16Å; L374-L377 PolarHBondContact O-N 3.46Å; S375-L377 VanDerWaalsContact C-N 3.27Å |
| 378 | C | 92.5 | Very high | 94 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.088 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -160.7 | 169.6 | -170.6 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | H314 F324 L374 S375 | H314-C378 WeakPolarHBondContact O-CB 3.12Å; F324-C378 HydrophobicContact CE2-CB 3.91Å; F324-C378 HydrophobicContact CZ-CB 3.98Å; L374-C378 PolarHBondContact O-N 3.26Å; L374-C378 PolarHBondContact O-SG 3.19Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; S375-C378 CarbonylContact C-O 3.54Å; S375-C378 VanDerWaalsContact CA-O 3.28Å; S375-C378 WeakPolarHBondContact CA-O 3.38Å |
| 379 | R | 95 | Very high | 94.3 | Very high | 169 Ų | 169 | 52.6 Ų | 52.6 | 64% | 0.638 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127.7 | 169.3 | 171.3 | -179.7 | 168.8 | 171.6 | -3 | 109 | H314 E381 | H314-R379 HydrophobicContact CB-CB 4.28Å; H314-R379 PolarHBondContact N-O 2.89Å; H314-R379 PolarHBondContact O-N 3.21Å; R379-E381 IonicContact CZ-OE1 3.88Å; R379-E381 IonicContact NE-OE1 3.5Å; R379-E381 PolarHBondContact NE-OE1 3.02Å; R379-E381 IonicContact NH2-OE1 3.88Å; R379-E381 PolarHBondContact NH2-OE1 2.86Å |
| 380 | V | 96 | Very high | 94.4 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.7 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 110 | L311 L313 L371 L374 V382 | L311-V380 HydrophobicContact CD1-CG1 3.34Å; L311-V380 HydrophobicContact CG-CG1 4.34Å; L313-V380 HydrophobicContact CD2-CB 4.31Å; L313-V380 HydrophobicContact CD2-CG1 4Å; L313-V380 HydrophobicContact CD2-CG2 3.87Å; L371-V380 HydrophobicContact CD2-CG1 4.13Å; L374-V380 HydrophobicContact CB-CG2 3.69Å; V380-V382 HydrophobicContact CG1-CG2 4.27Å |
| 381 | E | 96 | Very high | 94.6 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 29% | 0.29 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.4 | 169.4 | -68 | 178.4 | 168.7 | 0 | 0 | 109.4 | L311 T312 H314 R379 | L311-E381 WeakPolarHBondContact CA-O 3.22Å; T312-E381 PolarHBondContact N-O 2.86Å; T312-E381 PolarHBondContact O-N 2.83Å; H314-E381 IonicContact CD2-OE2 3.89Å; H314-E381 IonicContact CE1-OE2 3.88Å; H314-E381 VanDerWaalsContact NE2-CD 3.29Å; H314-E381 IonicContact NE2-OE1 3.89Å; H314-E381 IonicContact NE2-OE2 2.84Å; H314-E381 PolarHBondContact NE2-OE2 3.4Å; R379-E381 IonicContact CZ-OE1 3.88Å; R379-E381 IonicContact NE-OE1 3.5Å; R379-E381 PolarHBondContact NE-OE1 3.02Å; R379-E381 IonicContact NH2-OE1 3.88Å; R379-E381 PolarHBondContact NH2-OE1 2.86Å |
| 382 | V | 95 | Very high | 94.6 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.6 | -177.2 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | T309 L311 L366 L371 V380 E384 | T309-V382 HydrophobicContact CG2-CG1 4.05Å; L311-V382 HydrophobicContact CD1-CG2 3.83Å; L366-V382 HydrophobicContact CD1-CB 4.26Å; L366-V382 HydrophobicContact CD1-CG1 3.34Å; L366-V382 HydrophobicContact CD1-CG2 3.87Å; L371-V382 HydrophobicContact CD2-CG2 4.11Å; V380-V382 HydrophobicContact CG1-CG2 4.27Å; V382-E384 HydrophobicContact CG1-CG 4.12Å |
| 383 | E | 95.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.9 | 170.8 | -70.6 | 169.6 | -96.5 | 0 | 0 | 108.9 | T309 L310 L386 R416 | T309-E383 CarbonylContact C-O 3.54Å; T309-E383 WeakPolarHBondContact CA-O 3.3Å; L310-E383 HydrophobicContact CB-CB 4.27Å; L310-E383 PolarHBondContact N-O 2.9Å; L310-E383 PolarHBondContact O-N 3.17Å; E383-L386 HydrophobicContact CB-CD1 4.23Å; E383-R416 IonicContact OE1-CZ 3Å; E383-R416 VanDerWaalsContact OE1-CZ 3.23Å; E383-R416 IonicContact OE1-NE 2.66Å; E383-R416 PolarHBondContact OE1-NE 2.91Å; E383-R416 IonicContact OE1-NH2 2.8Å; E383-R416 PolarHBondContact OE1-NH2 2.8Å; E383-R416 IonicContact OE2-CZ 2.91Å; E383-R416 IonicContact OE2-NE 3.99Å; E383-R416 PolarHBondContact OE2-NE 3.29Å; E383-R416 IonicContact OE2-NH2 3.23Å |
| 384 | E | 93.4 | Very high | 94.6 | Very high | 131 Ų | 131 | 38.3 Ų | 38.3 | 61% | 0.612 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 173.5 | 177.6 | -63.8 | -175.9 | 144.2 | 0 | 0 | 110.6 | T309 V382 L386 | T309-E384 HydrophobicContact CG2-CG 4.17Å; V382-E384 HydrophobicContact CG1-CG 4.12Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.82Å |
| 385 | G | 92.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 46% | 0.464 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.9 | 20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G433 | G385-G433 VanDerWaalsContact O-CA 3.26Å; G385-G433 WeakPolarHBondContact O-CA 3.25Å; G385-G433 PolarHBondContact O-N 3.45Å |
| 386 | L | 95.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 165.7 | 173.8 | -62.8 | 173.4 | 0 | 0 | 0 | 111 | N307 Q308 L310 E383 E384 R416 L430 V431 | N307-L386 PolarHBondContact N-O 3.17Å; N307-L386 VanDerWaalsContact N-O 3.17Å; Q308-L386 HydrophobicContact CB-CB 4.11Å; Q308-L386 PolarHBondContact N-O 3.28Å; Q308-L386 PolarHBondContact O-N 2.73Å; L310-L386 HydrophobicContact CB-CD1 3.56Å; L310-L386 HydrophobicContact CD2-CD1 4.1Å; L310-L386 HydrophobicContact CG-CD1 4.48Å; E383-L386 HydrophobicContact CB-CD1 4.23Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.82Å; L386-R416 HydrophobicContact CD1-CG 4.23Å; L386-R416 HydrophobicContact CD2-CG 4.45Å; L386-L430 HydrophobicContact CD1-CD1 4.2Å; L386-V431 WeakPolarHBondContact CA-O 3.06Å |
| 387 | A | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L304 R305 L430 V431 A436 | L304-A387 HydrophobicContact CD1-CB 3.95Å; R305-A387 CarbonylContact O-C 3.13Å; R305-A387 VanDerWaalsContact O-CA 3.26Å; R305-A387 WeakPolarHBondContact O-CA 3.5Å; A387-L430 WeakPolarHBondContact O-CA 3.49Å; A387-V431 HydrophobicContact CB-CG2 4.3Å; A387-V431 PolarHBondContact N-O 2.79Å; A387-V431 PolarHBondContact O-N 2.71Å; A387-A436 HydrophobicContact CB-CB 3.38Å |
| 388 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.4 | 171.8 | 170.1 | 56.6 | 0 | 0 | 0 | 109.2 | F254 L304 R305 Q308 L341 C428 L430 | F254-L388 HydrophobicContact CD1-CD2 3.83Å; L304-L388 CarbonylContact C-O 3.59Å; L304-L388 WeakPolarHBondContact CA-O 3.46Å; R305-L388 HydrophobicContact CB-CB 4.23Å; R305-L388 PolarHBondContact N-O 3.18Å; R305-L388 PolarHBondContact O-N 2.66Å; Q308-L388 HydrophobicContact CG-CB 3.82Å; L341-L388 HydrophobicContact CD1-CD1 3.5Å; L341-L388 HydrophobicContact CD1-CD2 4.08Å; L341-L388 HydrophobicContact CD1-CG 4.4Å; L341-L388 HydrophobicContact CG-CD2 4.29Å; L388-C428 HydrophobicContact CD1-CB 3.93Å; L388-L430 HydrophobicContact CB-CD2 3.82Å; L388-L430 HydrophobicContact CD1-CD2 4.26Å |
| 389 | V | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.1 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | L302 A303 L304 C428 F429 V431 V439 V440 L443 | L302-V389 HydrophobicContact CD2-CG1 4.19Å; A303-V389 WeakPolarHBondContact O-CA 3.42Å; L304-V389 HydrophobicContact CD1-CG2 3.97Å; V389-C428 WeakPolarHBondContact O-CA 3.46Å; V389-F429 HydrophobicContact CB-CD2 4.01Å; V389-F429 HydrophobicContact CB-CE2 3.51Å; V389-F429 HydrophobicContact CB-CZ 3.92Å; V389-F429 HydrophobicContact CG1-CE1 4.5Å; V389-F429 HydrophobicContact CG1-CE2 3.61Å; V389-F429 HydrophobicContact CG1-CZ 3.56Å; V389-F429 HydrophobicContact CG2-CE2 4.27Å; V389-F429 PolarHBondContact N-O 2.98Å; V389-F429 PolarHBondContact O-N 2.85Å; V389-V431 HydrophobicContact CG2-CG2 4.19Å; V389-V439 HydrophobicContact CG1-CG1 4.38Å; V389-V439 HydrophobicContact CG2-CG1 3.98Å; V389-V440 HydrophobicContact CG1-CG2 4.04Å; V389-V440 HydrophobicContact CG2-CG2 3.97Å; V389-L443 HydrophobicContact CG1-CD1 4.18Å |
| 390 | A | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F254 L302 A303 I392 | F254-A390 HydrophobicContact CB-CB 3.35Å; F254-A390 HydrophobicContact CD2-CB 3.89Å; F254-A390 HydrophobicContact CG-CB 3.7Å; L302-A390 CarbonylContact C-O 3.58Å; L302-A390 VanDerWaalsContact CA-O 3.3Å; L302-A390 WeakPolarHBondContact CA-O 3.46Å; A303-A390 HydrophobicContact CB-CB 4.43Å; A303-A390 PolarHBondContact N-O 3.3Å; A303-A390 PolarHBondContact O-N 3.25Å; A390-I392 HydrophobicContact CB-CD1 4.31Å; A390-I392 VanDerWaalsContact O-CD1 3.32Å; A390-I392 WeakPolarHBondContact O-CD1 3.43Å |
| 391 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.6 | 166.4 | 176.1 | 64.8 | 0 | 0 | 0 | 108.2 | F299 L302 V406 N426 L427 L447 F448 | F299-L391 HydrophobicContact CB-CD1 4.39Å; F299-L391 HydrophobicContact CD1-CD1 3.94Å; F299-L391 HydrophobicContact CD1-CD2 3.71Å; F299-L391 HydrophobicContact CD1-CG 4.08Å; F299-L391 HydrophobicContact CE1-CD2 3.75Å; F299-L391 HydrophobicContact CG-CD1 4.49Å; L302-L391 HydrophobicContact CD2-CB 4.07Å; L302-L391 HydrophobicContact CD2-CD1 3.8Å; L302-L391 HydrophobicContact CG-CD1 4.25Å; L391-V406 HydrophobicContact CD2-CG1 4.47Å; L391-V406 HydrophobicContact CD2-CG2 3.42Å; L391-V406 VanDerWaalsContact CD2-CG2 3.42Å; L391-N426 CarbonylContact O-C 3.59Å; L391-N426 VanDerWaalsContact O-CA 3.26Å; L391-N426 WeakPolarHBondContact O-CA 3.46Å; L391-L427 HydrophobicContact CB-CB 4.33Å; L391-L427 HydrophobicContact CD2-CD2 4.37Å; L391-L427 PolarHBondContact N-O 2.87Å; L391-L427 PolarHBondContact O-N 3.48Å; L391-L447 HydrophobicContact CD1-CD1 3.85Å; L391-L447 HydrophobicContact CD2-CD1 4.11Å; L391-F448 HydrophobicContact CD1-CE2 4.39Å; L391-F448 HydrophobicContact CD1-CZ 4.28Å |
| 392 | I | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.7 | 178.9 | -55.2 | 89.7 | 0 | 0 | 0 | 108.1 | E247 E250 M251 R300 A301 A303 A390 H425 | E247-I392 HydrophobicContact CB-CG2 4.41Å; E250-I392 HydrophobicContact CB-CG1 4.23Å; E250-I392 HydrophobicContact CB-CG2 3.96Å; M251-I392 HydrophobicContact CG-CB 4.18Å; M251-I392 HydrophobicContact CG-CD1 3.93Å; M251-I392 HydrophobicContact CG-CG1 3.81Å; M251-I392 HydrophobicContact CG-CG2 4.11Å; R300-I392 WeakPolarHBondContact CA-O 3.17Å; R300-I392 PolarHBondContact N-O 2.83Å; A301-I392 HydrophobicContact CB-CB 4.43Å; A301-I392 HydrophobicContact CB-CD1 4.34Å; A301-I392 PolarHBondContact N-O 2.97Å; A301-I392 VanDerWaalsContact N-O 3.1Å; A301-I392 PolarHBondContact O-N 2.7Å; A303-I392 HydrophobicContact CB-CD1 3.81Å; A390-I392 HydrophobicContact CB-CD1 4.31Å; A390-I392 VanDerWaalsContact O-CD1 3.32Å; A390-I392 WeakPolarHBondContact O-CD1 3.43Å; I392-H425 CarbonylContact C-O 3.58Å; I392-H425 VanDerWaalsContact CA-O 3.3Å; I392-H425 WeakPolarHBondContact CA-O 3.26Å |
| 393 | G | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -163.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L298 H425 | L298-G393 CarbonylContact O-C 3.39Å; L298-G393 WeakPolarHBondContact O-CA 3.3Å; G393-H425 PolarHBondContact N-O 2.94Å; G393-H425 VanDerWaalsContact O-CA 3.22Å; G393-H425 WeakPolarHBondContact O-CA 3.33Å; G393-H425 WeakPolarHBondContact O-CB 3.44Å; G393-H425 PolarHBondContact O-ND1 3.31Å |
| 394 | N | 94.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -132.4 | 131.5 | -178.9 | -61 | -83 | 0 | 0 | 0 | 110.4 | E247 P296 P297 L298 L396 H425 | E247-N394 WeakPolarHBondContact CG-OD1 3.41Å; E247-N394 PolarHBondContact OE1-ND2 2.94Å; E247-N394 PolarHBondContact OE1-OD1 2.97Å; P296-N394 HydrophobicContact CB-CB 4.04Å; P296-N394 HydrophobicContact CG-CB 4.31Å; P297-N394 PolarHBondContact O-ND2 2.87Å; L298-N394 WeakPolarHBondContact CD1-O 3.46Å; L298-N394 PolarHBondContact O-N 2.88Å; N394-L396 PolarHBondContact O-N 2.87Å; N394-L396 VanDerWaalsContact O-N 3.1Å; N394-H425 PolarHBondContact OD1-ND1 3.03Å |
| 395 | D | 92.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 51.6 | 33.3 | -179.5 | -73.5 | -38.1 | 0 | 0 | 0 | 113.1 | S397 K398 A399 S424 | D395-S397 PolarHBondContact O-N 2.94Å; D395-K398 HydrophobicContact CB-CB 4.26Å; D395-K398 HydrophobicContact CB-CD 4.11Å; D395-K398 HydrophobicContact CB-CG 4.43Å; D395-K398 WeakPolarHBondContact O-CA 3.37Å; D395-K398 PolarHBondContact O-N 3.04Å; D395-K398 WeakPolarHBondContact OD1-CD 3.28Å; D395-K398 WeakPolarHBondContact OD1-CE 3.38Å; D395-K398 IonicContact OD1-NZ 3.92Å; D395-K398 PolarHBondContact OD1-NZ 2.78Å; D395-K398 IonicContact OD2-NZ 2.91Å; D395-A399 PolarHBondContact O-N 2.91Å; D395-S424 PolarHBondContact N-O 3.1Å |
| 396 | L | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -52.1 | -44.6 | -179.2 | -68.7 | 178.2 | 0 | 0 | 0 | 110.5 | L298 F299 N394 K398 A399 Y420 S424 L427 | L298-L396 HydrophobicContact CD1-CD2 3.94Å; L298-L396 HydrophobicContact CG-CD2 4.31Å; L298-L396 WeakPolarHBondContact O-CD2 3.26Å; F299-L396 HydrophobicContact CD1-CD2 3.84Å; F299-L396 HydrophobicContact CE1-CD2 3.81Å; N394-L396 PolarHBondContact O-N 2.87Å; N394-L396 VanDerWaalsContact O-N 3.1Å; L396-K398 PolarHBondContact O-N 3.1Å; L396-A399 PolarHBondContact O-N 2.92Å; L396-Y420 HydrophobicContact CB-CE2 4.1Å; L396-Y420 PolarHBondContact O-OH 3.47Å; L396-S424 PolarHBondContact N-O 3.38Å; L396-L427 HydrophobicContact CD1-CB 4.39Å |
| 397 | S | 89.6 | Confident | 93.3 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -69.1 | -13.3 | -178.8 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | D395 Y420 | D395-S397 PolarHBondContact O-N 2.94Å; S397-Y420 WeakPolarHBondContact CA-OH 3.41Å; S397-Y420 PolarHBondContact N-OH 2.85Å |
| 398 | K | 89.7 | Confident | 93.4 | Very high | 152 Ų | 152 | 43.8 Ų | 43.8 | 66% | 0.661 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -102.5 | -13.9 | 178.9 | -56.2 | 178.7 | -171.1 | 152.8 | 0 | 112.5 | D395 L396 | D395-K398 HydrophobicContact CB-CB 4.26Å; D395-K398 HydrophobicContact CB-CD 4.11Å; D395-K398 HydrophobicContact CB-CG 4.43Å; D395-K398 WeakPolarHBondContact O-CA 3.37Å; D395-K398 PolarHBondContact O-N 3.04Å; D395-K398 WeakPolarHBondContact OD1-CD 3.28Å; D395-K398 WeakPolarHBondContact OD1-CE 3.38Å; D395-K398 IonicContact OD1-NZ 3.92Å; D395-K398 PolarHBondContact OD1-NZ 2.78Å; D395-K398 IonicContact OD2-NZ 2.91Å; L396-K398 PolarHBondContact O-N 3.1Å |
| 399 | A | 90.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -86.3 | 134 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L298 D395 L396 V402 | L298-A399 HydrophobicContact CD1-CB 3.49Å; L298-A399 VanDerWaalsContact CD1-CB 3.49Å; L298-A399 HydrophobicContact CD2-CB 4.09Å; L298-A399 HydrophobicContact CG-CB 4.47Å; D395-A399 PolarHBondContact O-N 2.91Å; L396-A399 PolarHBondContact O-N 2.92Å; A399-V402 HydrophobicContact CB-CG2 3.61Å |
| 400 | C | 91.9 | Very high | 93.4 | Very high | 131 Ų | 131 | 45.4 Ų | 45.4 | 89% | 0.885 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 142.3 | 174 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | V402 | C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.06Å |
| 401 | G | 92 | Very high | 93.4 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -13.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G403 K404 E405 | G401-G403 VanDerWaalsContact C-N 3.27Å; G401-G403 PolarHBondContact O-N 2.8Å; G401-G403 VanDerWaalsContact O-N 3.16Å; G401-K404 PolarHBondContact O-N 3.35Å; G401-E405 PolarHBondContact O-N 3.01Å |
| 402 | V | 92.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -47.9 | -47.6 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | L298 F299 A399 C400 K404 E405 V406 | L298-V402 HydrophobicContact CD1-CG2 4.36Å; L298-V402 HydrophobicContact CD2-CG2 4.18Å; F299-V402 HydrophobicContact CE1-CG1 4.17Å; F299-V402 HydrophobicContact CZ-CG2 4.44Å; A399-V402 HydrophobicContact CB-CG2 3.61Å; C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.06Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.26Å; V402-E405 PolarHBondContact O-N 2.83Å; V402-V406 HydrophobicContact CG1-CG2 4.2Å; V402-V406 WeakPolarHBondContact O-CB 3.43Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.78Å |
| 403 | G | 90.6 | Very high | 93.5 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G401 F407 | G401-G403 VanDerWaalsContact C-N 3.27Å; G401-G403 PolarHBondContact O-N 2.8Å; G401-G403 VanDerWaalsContact O-N 3.16Å; G403-F407 VanDerWaalsContact O-CB 3.28Å; G403-F407 WeakPolarHBondContact O-CB 3.16Å; G403-F407 VanDerWaalsContact O-CD2 3.24Å; G403-F407 WeakPolarHBondContact O-CD2 3.07Å; G403-F407 PolarHBondContact O-N 3.42Å |
| 404 | K | 93.6 | Very high | 93.6 | Very high | 179 Ų | 179 | 64.1 Ų | 64.1 | 78% | 0.778 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.6 | -41.2 | 177.1 | 179.6 | -179.2 | 175.9 | -175.7 | 0 | 111.1 | G401 V402 G408 | G401-K404 PolarHBondContact O-N 3.35Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.26Å; K404-G408 VanDerWaalsContact O-CA 3.27Å; K404-G408 WeakPolarHBondContact O-CA 3.5Å; K404-G408 PolarHBondContact O-N 3.4Å |
| 405 | E | 93.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | -178.2 | -163.7 | 174.4 | 174.1 | 0 | 0 | 111.9 | F299 G401 V402 V409 L447 | F299-E405 WeakPolarHBondContact CE2-OE1 3.35Å; G401-E405 PolarHBondContact O-N 3.01Å; V402-E405 PolarHBondContact O-N 2.83Å; E405-V409 VanDerWaalsContact O-CG2 3.31Å; E405-V409 WeakPolarHBondContact O-CG2 3.33Å; E405-L447 HydrophobicContact CG-CD2 3.73Å |
| 406 | V | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -78 | -58.8 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 111 | F299 L391 V402 G408 V409 L410 L427 F429 L443 L447 | F299-V406 HydrophobicContact CE1-CG2 4.36Å; L391-V406 HydrophobicContact CD2-CG1 4.47Å; L391-V406 HydrophobicContact CD2-CG2 3.42Å; L391-V406 VanDerWaalsContact CD2-CG2 3.42Å; V402-V406 HydrophobicContact CG1-CG2 4.2Å; V402-V406 WeakPolarHBondContact O-CB 3.43Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.78Å; V406-G408 PolarHBondContact O-N 3.43Å; V406-V409 PolarHBondContact O-N 3.19Å; V406-L410 HydrophobicContact CG1-CD1 4.33Å; V406-L410 WeakPolarHBondContact O-CG 3.27Å; V406-L427 HydrophobicContact CB-CD2 4.16Å; V406-L427 HydrophobicContact CG1-CD2 3.85Å; V406-L427 HydrophobicContact CG2-CD2 4.09Å; V406-F429 HydrophobicContact CG1-CE1 4.2Å; V406-L443 HydrophobicContact CG1-CD2 3.95Å; V406-L447 HydrophobicContact CG2-CD1 4.43Å |
| 407 | F | 95.5 | Very high | 94 | Very high | 58 Ų | 58 | 66.3 Ų | 66.3 | 25% | 0.254 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.9 | -20.8 | -171.1 | -62.5 | -63.8 | 0 | 0 | 0 | 113.7 | G403 V409 L410 E411 I415 I418 L427 F429 | G403-F407 VanDerWaalsContact O-CB 3.28Å; G403-F407 WeakPolarHBondContact O-CB 3.16Å; G403-F407 VanDerWaalsContact O-CD2 3.24Å; G403-F407 WeakPolarHBondContact O-CD2 3.07Å; G403-F407 PolarHBondContact O-N 3.42Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 2.9Å; F407-L410 HydrophobicContact CD1-CD1 4.18Å; F407-L410 PolarHBondContact O-N 2.81Å; F407-E411 PolarHBondContact O-N 2.91Å; F407-I415 HydrophobicContact CD1-CD1 3.51Å; F407-I415 HydrophobicContact CE1-CD1 3.83Å; F407-I418 HydrophobicContact CE1-CD1 3.78Å; F407-I418 HydrophobicContact CE1-CG1 4.14Å; F407-I418 HydrophobicContact CE2-CD1 4.48Å; F407-I418 HydrophobicContact CZ-CD1 3.75Å; F407-I418 HydrophobicContact CZ-CG1 4.13Å; F407-I418 HydrophobicContact CZ-CG2 3.85Å; F407-L427 HydrophobicContact CE2-CD2 4.21Å; F407-L427 HydrophobicContact CZ-CD1 4.14Å; F407-L427 HydrophobicContact CZ-CD2 4.11Å; F407-F429 HydrophobicContact CE1-CD1 4.35Å |
| 408 | G | 95.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 67 Ų | 67 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K404 V406 L410 | K404-G408 VanDerWaalsContact O-CA 3.27Å; K404-G408 WeakPolarHBondContact O-CA 3.5Å; K404-G408 PolarHBondContact O-N 3.4Å; V406-G408 PolarHBondContact O-N 3.43Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.79Å |
| 409 | V | 94.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71 | -26.1 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | E405 V406 F407 K442 N446 | E405-V409 VanDerWaalsContact O-CG2 3.31Å; E405-V409 WeakPolarHBondContact O-CG2 3.33Å; V406-V409 PolarHBondContact O-N 3.19Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 2.9Å; V409-K442 HydrophobicContact CG1-CB 3.79Å; V409-N446 HydrophobicContact CG1-CB 4.3Å; V409-N446 HydrophobicContact CG2-CB 3.69Å; V409-N446 WeakPolarHBondContact CG2-ND2 3.43Å |
| 410 | L | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.6 | -177.2 | -59.4 | -177.6 | 0 | 0 | 0 | 114.2 | V406 F407 G408 P412 F413 I415 F429 V439 L443 | V406-L410 HydrophobicContact CG1-CD1 4.33Å; V406-L410 WeakPolarHBondContact O-CG 3.27Å; F407-L410 HydrophobicContact CD1-CD1 4.18Å; F407-L410 PolarHBondContact O-N 2.81Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.79Å; L410-P412 VanDerWaalsContact O-N 3.09Å; L410-F413 HydrophobicContact CD2-CD2 4.07Å; L410-F413 HydrophobicContact CD2-CE2 4.38Å; L410-F413 PolarHBondContact O-N 3Å; L410-I415 HydrophobicContact CB-CD1 4Å; L410-I415 HydrophobicContact CD1-CD1 3.93Å; L410-F429 HydrophobicContact CD1-CD2 4.26Å; L410-F429 HydrophobicContact CD1-CE1 4.48Å; L410-F429 HydrophobicContact CD1-CE2 3.7Å; L410-F429 HydrophobicContact CD1-CZ 3.86Å; L410-V439 HydrophobicContact CD2-CB 4.43Å; L410-V439 HydrophobicContact CD2-CG1 3.82Å; L410-V439 HydrophobicContact CD2-CG2 4.38Å; L410-L443 HydrophobicContact CD1-CD1 4.31Å; L410-L443 HydrophobicContact CD1-CD2 4.31Å; L410-L443 HydrophobicContact CD2-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD2 4.02Å; L410-L443 HydrophobicContact CD2-CG 3.85Å; L410-L443 HydrophobicContact CG-CD2 4.08Å; L410-L443 HydrophobicContact CG-CG 4.44Å |
| 411 | E | 95.4 | Very high | 94 | Very high | 171 Ų | 171 | 60.1 Ų | 60.1 | 80% | 0.799 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | -40.8 | 176.3 | 178.1 | -174.5 | -168.8 | 0 | 0 | 114.1 | F407 F413 | F407-E411 PolarHBondContact O-N 2.91Å; E411-F413 VanDerWaalsContact C-N 3.28Å; E411-F413 PolarHBondContact O-N 2.66Å |
| 412 | P | 95.7 | Very high | 93.7 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.3 | -178 | -19.6 | 36 | 0 | 0 | 0 | 115.5 | L410 | L410-P412 VanDerWaalsContact O-N 3.09Š|
| 413 | F | 97.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -115 | 149.4 | -171.9 | -52.1 | -82.1 | 0 | 0 | 0 | 112.2 | L410 E411 D435 Q438 V439 K442 | L410-F413 HydrophobicContact CD2-CD2 4.07Å; L410-F413 HydrophobicContact CD2-CE2 4.38Å; L410-F413 PolarHBondContact O-N 3Å; E411-F413 VanDerWaalsContact C-N 3.28Å; E411-F413 PolarHBondContact O-N 2.66Å; F413-D435 HydrophobicContact CD1-CB 3.92Å; F413-D435 HydrophobicContact CE1-CB 4.45Å; F413-Q438 HydrophobicContact CE1-CB 3.83Å; F413-Q438 HydrophobicContact CZ-CB 3.92Å; F413-V439 HydrophobicContact CB-CG2 4.08Å; F413-V439 HydrophobicContact CD1-CG2 3.76Å; F413-V439 HydrophobicContact CD2-CG2 3.8Å; F413-V439 HydrophobicContact CE1-CG2 4.04Å; F413-V439 HydrophobicContact CE2-CG2 4.08Å; F413-V439 HydrophobicContact CG-CG2 3.61Å; F413-V439 HydrophobicContact CZ-CG2 4.18Å; F413-K442 HydrophobicContact CE2-CD 3.58Å; F413-K442 HydrophobicContact CZ-CD 3.7Å |
| 414 | N | 96.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 64 Ų | 64 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | trans | -80.1 | 127.5 | 171.3 | -171.4 | 17.5 | 0 | 0 | 0 | 110.5 | P432 | N414-P432 WeakPolarHBondContact O-CD 3.22Š| ||
| 415 | I | 96.7 | Very high | 93 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | trans | -106.4 | 109.8 | 176.4 | -57.7 | 173.7 | 0 | 0 | 0 | 108.3 | F407 L410 I418 F429 | F407-I415 HydrophobicContact CD1-CD1 3.51Å; F407-I415 HydrophobicContact CE1-CD1 3.83Å; L410-I415 HydrophobicContact CB-CD1 4Å; L410-I415 HydrophobicContact CD1-CD1 3.93Å; I415-I418 HydrophobicContact CG2-CD1 4.12Å; I415-I418 HydrophobicContact CG2-CG1 3.59Å; I415-F429 HydrophobicContact CG2-CB 3.9Å | ||
| 416 | R | 95.7 | Very high | 93 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | trans | -76.3 | -33.9 | -174.1 | 179.6 | 60.3 | -170.1 | 87.1 | -2.3 | 113 | L310 E383 L386 L430 | L310-R416 HydrophobicContact CD2-CG 3.81Å; L310-R416 VanDerWaalsContact CD2-CZ 3.5Å; E383-R416 IonicContact OE1-CZ 3Å; E383-R416 VanDerWaalsContact OE1-CZ 3.23Å; E383-R416 IonicContact OE1-NE 2.66Å; E383-R416 PolarHBondContact OE1-NE 2.91Å; E383-R416 IonicContact OE1-NH2 2.8Å; E383-R416 PolarHBondContact OE1-NH2 2.8Å; E383-R416 IonicContact OE2-CZ 2.91Å; E383-R416 IonicContact OE2-NE 3.99Å; E383-R416 PolarHBondContact OE2-NE 3.29Å; E383-R416 IonicContact OE2-NH2 3.23Å; L386-R416 HydrophobicContact CD1-CG 4.23Å; L386-R416 HydrophobicContact CD2-CG 4.45Å; R416-L430 HydrophobicContact CB-CB 4.18Å; R416-L430 PolarHBondContact N-O 3.48Å | ||
| 417 | M | 95.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.044 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 143.9 | -176.5 | -179.1 | 166.9 | 169.6 | 0 | 0 | 109.6 | L310 L341 T343 A350 C419 F429 L430 | L310-M417 HydrophobicContact CD1-SD 3.81Å; L341-M417 HydrophobicContact CB-CE 3.82Å; T343-M417 HydrophobicContact CG2-CE 3.54Å; T343-M417 HydrophobicContact CG2-CG 3.96Å; T343-M417 HydrophobicContact CG2-SD 3.96Å; A350-M417 HydrophobicContact CB-SD 4.23Å; M417-C419 WeakPolarHBondContact CE-SG 3.44Å; M417-F429 CarbonylContact O-C 3.58Å; M417-F429 WeakPolarHBondContact O-CA 3.3Å; M417-F429 WeakPolarHBondContact O-CB 3.44Å; M417-L430 HydrophobicContact CB-CB 3.94Å; M417-L430 HydrophobicContact CB-CD1 3.79Å; M417-L430 HydrophobicContact CB-CG 3.96Å; M417-L430 HydrophobicContact CG-CD1 4.34Å; M417-L430 PolarHBondContact O-N 3.48Å; M417-L430 HydrophobicContact SD-CD1 3.79Å |
| 418 | I | 94.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 41% | 0.41 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.2 | 173.2 | -58.6 | 169.2 | 0 | 0 | 0 | 107.6 | F407 I415 L427 F429 | F407-I418 HydrophobicContact CE1-CD1 3.78Å; F407-I418 HydrophobicContact CE1-CG1 4.14Å; F407-I418 HydrophobicContact CE2-CD1 4.48Å; F407-I418 HydrophobicContact CZ-CD1 3.75Å; F407-I418 HydrophobicContact CZ-CG1 4.13Å; F407-I418 HydrophobicContact CZ-CG2 3.85Å; I415-I418 HydrophobicContact CG2-CD1 4.12Å; I415-I418 HydrophobicContact CG2-CG1 3.59Å; I418-L427 HydrophobicContact CG2-CD1 4.09Å; I418-F429 HydrophobicContact CG1-CB 4.3Å |
| 419 | C | 92.5 | Very high | 92.9 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.122 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.2 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 109.1 | L341 M417 C428 | L341-C419 HydrophobicContact CD1-CB 4.45Å; L341-C419 HydrophobicContact CD2-CB 4.26Å; M417-C419 WeakPolarHBondContact CE-SG 3.44Å; C419-C428 HydrophobicContact CB-CB 4.09Å; C419-C428 PolarHBondContact N-O 2.85Å; C419-C428 PolarHBondContact O-N 3.45Å |
| 420 | Y | 91.1 | Very high | 93 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145.1 | -176.7 | -170.6 | -137.5 | 0 | 0 | 0 | 111.8 | L396 S397 N426 L427 | L396-Y420 HydrophobicContact CB-CE2 4.1Å; L396-Y420 PolarHBondContact O-OH 3.47Å; S397-Y420 WeakPolarHBondContact CA-OH 3.41Å; S397-Y420 PolarHBondContact N-OH 2.85Å; Y420-N426 VanDerWaalsContact CD2-O 3.29Å; Y420-N426 WeakPolarHBondContact CD2-O 3.36Å; Y420-L427 HydrophobicContact CD1-CD1 4.32Å; Y420-L427 HydrophobicContact CD2-CB 3.94Å; Y420-L427 HydrophobicContact CD2-CD1 3.64Å; Y420-L427 HydrophobicContact CD2-CG 4.39Å; Y420-L427 HydrophobicContact CE2-CB 4.15Å; Y420-L427 HydrophobicContact CE2-CD1 4.35Å; Y420-L427 HydrophobicContact CG-CD1 3.61Å |
| 421 | G | 83.7 | Confident | 93 | Very high | 53 Ų | 53 | 48 Ų | 48 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 101.7 | -10.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 422 | A | 85.3 | Confident | 93.1 | Very high | 111 Ų | 111 | 41.3 Ų | 41.3 | 92% | 0.917 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -73.7 | -31.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 423 | S | 85.6 | Confident | 93.2 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | trans | -125.8 | 146.3 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | E250 H425 N426 | E250-S423 VanDerWaalsContact OE1-CB 3.31Å; E250-S423 WeakPolarHBondContact OE1-CB 3.19Å; E250-S423 PolarHBondContact OE1-OG 2.79Å; S423-H425 PolarHBondContact O-N 3.47Å; S423-H425 WeakPolarHBondContact OG-CB 3.38Å; S423-H425 PolarHBondContact OG-N 3.23Å; S423-N426 WeakPolarHBondContact CB-ND2 3.37Å | ||
| 424 | S | 87.2 | Confident | 93.2 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -77.1 | -4.8 | 169 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | D395 L396 | D395-S424 PolarHBondContact N-O 3.1Å; L396-S424 PolarHBondContact N-O 3.38Å |
| 425 | H | 90.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -103.8 | -9.9 | -173.1 | -65.1 | -73.9 | 0 | 0 | 0 | 114.6 | E250 I392 G393 N394 S423 | E250-H425 HydrophobicContact CG-CB 3.75Å; I392-H425 CarbonylContact C-O 3.58Å; I392-H425 VanDerWaalsContact CA-O 3.3Å; I392-H425 WeakPolarHBondContact CA-O 3.26Å; G393-H425 PolarHBondContact N-O 2.94Å; G393-H425 VanDerWaalsContact O-CA 3.22Å; G393-H425 WeakPolarHBondContact O-CA 3.33Å; G393-H425 WeakPolarHBondContact O-CB 3.44Å; G393-H425 PolarHBondContact O-ND1 3.31Å; N394-H425 PolarHBondContact OD1-ND1 3.03Å; S423-H425 PolarHBondContact O-N 3.47Å; S423-H425 WeakPolarHBondContact OG-CB 3.38Å; S423-H425 PolarHBondContact OG-N 3.23Å |
| 426 | N | 92.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.5 | -177.3 | 72.3 | 53.1 | 0 | 0 | 0 | 113.4 | E250 F254 L391 Y420 S423 | E250-N426 VanDerWaalsContact CD-ND2 3.33Å; E250-N426 PolarHBondContact OE1-ND2 3.46Å; E250-N426 PolarHBondContact OE2-ND2 2.98Å; F254-N426 HydrophobicContact CD2-CB 4.48Å; F254-N426 HydrophobicContact CE2-CB 3.98Å; F254-N426 WeakPolarHBondContact CE2-ND2 3.46Å; L391-N426 CarbonylContact O-C 3.59Å; L391-N426 VanDerWaalsContact O-CA 3.26Å; L391-N426 WeakPolarHBondContact O-CA 3.46Å; Y420-N426 VanDerWaalsContact CD2-O 3.29Å; Y420-N426 WeakPolarHBondContact CD2-O 3.36Å; S423-N426 WeakPolarHBondContact CB-ND2 3.37Å |
| 427 | L | 94.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 113.3 | 163.7 | 169.9 | 66.2 | 0 | 0 | 0 | 107 | L391 L396 V406 F407 I418 Y420 F429 | L391-L427 HydrophobicContact CB-CB 4.33Å; L391-L427 HydrophobicContact CD2-CD2 4.37Å; L391-L427 PolarHBondContact N-O 2.87Å; L391-L427 PolarHBondContact O-N 3.48Å; L396-L427 HydrophobicContact CD1-CB 4.39Å; V406-L427 HydrophobicContact CB-CD2 4.16Å; V406-L427 HydrophobicContact CG1-CD2 3.85Å; V406-L427 HydrophobicContact CG2-CD2 4.09Å; F407-L427 HydrophobicContact CE2-CD2 4.21Å; F407-L427 HydrophobicContact CZ-CD1 4.14Å; F407-L427 HydrophobicContact CZ-CD2 4.11Å; I418-L427 HydrophobicContact CG2-CD1 4.09Å; Y420-L427 HydrophobicContact CD1-CD1 4.32Å; Y420-L427 HydrophobicContact CD2-CB 3.94Å; Y420-L427 HydrophobicContact CD2-CD1 3.64Å; Y420-L427 HydrophobicContact CD2-CG 4.39Å; Y420-L427 HydrophobicContact CE2-CB 4.15Å; Y420-L427 HydrophobicContact CE2-CD1 4.35Å; Y420-L427 HydrophobicContact CG-CD1 3.61Å; L427-F429 HydrophobicContact CG-CD1 4.33Å; L427-F429 HydrophobicContact CG-CE1 4.45Å |
| 428 | C | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.9 | -174.4 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | L341 L388 V389 C419 | L341-C428 HydrophobicContact CD1-CB 4.13Å; L341-C428 HydrophobicContact CD2-CB 4.1Å; L388-C428 HydrophobicContact CD1-CB 3.93Å; V389-C428 WeakPolarHBondContact O-CA 3.46Å; C419-C428 HydrophobicContact CB-CB 4.09Å; C419-C428 PolarHBondContact N-O 2.85Å; C419-C428 PolarHBondContact O-N 3.45Å |
| 429 | F | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 150.5 | 172.5 | 44.2 | -87.6 | 0 | 0 | 0 | 112.3 | V389 V406 F407 L410 I415 M417 I418 L427 V431 V439 L443 | V389-F429 HydrophobicContact CB-CD2 4.01Å; V389-F429 HydrophobicContact CB-CE2 3.51Å; V389-F429 HydrophobicContact CB-CZ 3.92Å; V389-F429 HydrophobicContact CG1-CE1 4.5Å; V389-F429 HydrophobicContact CG1-CE2 3.61Å; V389-F429 HydrophobicContact CG1-CZ 3.56Å; V389-F429 HydrophobicContact CG2-CE2 4.27Å; V389-F429 PolarHBondContact N-O 2.98Å; V389-F429 PolarHBondContact O-N 2.85Å; V406-F429 HydrophobicContact CG1-CE1 4.2Å; F407-F429 HydrophobicContact CE1-CD1 4.35Å; L410-F429 HydrophobicContact CD1-CD2 4.26Å; L410-F429 HydrophobicContact CD1-CE1 4.48Å; L410-F429 HydrophobicContact CD1-CE2 3.7Å; L410-F429 HydrophobicContact CD1-CZ 3.86Å; I415-F429 HydrophobicContact CG2-CB 3.9Å; M417-F429 CarbonylContact O-C 3.58Å; M417-F429 WeakPolarHBondContact O-CA 3.3Å; M417-F429 WeakPolarHBondContact O-CB 3.44Å; I418-F429 HydrophobicContact CG1-CB 4.3Å; L427-F429 HydrophobicContact CG-CD1 4.33Å; L427-F429 HydrophobicContact CG-CE1 4.45Å; F429-V431 HydrophobicContact CD2-CG1 4.13Å; F429-V439 HydrophobicContact CE2-CG1 3.81Å; F429-L443 HydrophobicContact CE2-CD1 4.05Å; F429-L443 HydrophobicContact CZ-CD1 3.5Å |
| 430 | L | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.7 | 175 | -64.7 | 177.8 | 0 | 0 | 0 | 110.6 | Q308 L310 T352 L386 A387 L388 R416 M417 | Q308-L430 HydrophobicContact CB-CD2 4.29Å; Q308-L430 HydrophobicContact CG-CD2 4.36Å; L310-L430 HydrophobicContact CB-CD1 4.37Å; L310-L430 HydrophobicContact CD1-CD1 4.17Å; L310-L430 HydrophobicContact CD2-CD1 4.38Å; T352-L430 HydrophobicContact CG2-CD1 3.43Å; T352-L430 VanDerWaalsContact CG2-CD1 3.43Å; T352-L430 HydrophobicContact CG2-CD2 4.06Å; T352-L430 HydrophobicContact CG2-CG 4.23Å; L386-L430 HydrophobicContact CD1-CD1 4.2Å; A387-L430 WeakPolarHBondContact O-CA 3.49Å; L388-L430 HydrophobicContact CB-CD2 3.82Å; L388-L430 HydrophobicContact CD1-CD2 4.26Å; R416-L430 HydrophobicContact CB-CB 4.18Å; R416-L430 PolarHBondContact N-O 3.48Å; M417-L430 HydrophobicContact CB-CB 3.94Å; M417-L430 HydrophobicContact CB-CD1 3.79Å; M417-L430 HydrophobicContact CB-CG 3.96Å; M417-L430 HydrophobicContact CG-CD1 4.34Å; M417-L430 PolarHBondContact O-N 3.48Å; M417-L430 HydrophobicContact SD-CD1 3.79Å |
| 431 | V | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 160.2 | 175 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | L386 A387 V389 F429 G433 A436 V439 | L386-V431 WeakPolarHBondContact CA-O 3.06Å; A387-V431 HydrophobicContact CB-CG2 4.3Å; A387-V431 PolarHBondContact N-O 2.79Å; A387-V431 PolarHBondContact O-N 2.71Å; V389-V431 HydrophobicContact CG2-CG2 4.19Å; F429-V431 HydrophobicContact CD2-CG1 4.13Å; V431-G433 PolarHBondContact O-N 3.49Å; V431-A436 HydrophobicContact CG2-CB 4.23Å; V431-V439 HydrophobicContact CG1-CG2 4.26Å; V431-V439 HydrophobicContact CG2-CG2 4.45Å |
| 432 | P | 97.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 138 | 166.3 | -25.8 | 35.8 | 0 | 0 | 0 | 111.1 | N414 E434 D435 A436 | N414-P432 WeakPolarHBondContact O-CD 3.22Å; P432-E434 HydrophobicContact CB-CG 4.07Å; P432-E434 PolarHBondContact O-N 3.5Å; P432-E434 VanDerWaalsContact O-N 3.16Å; P432-D435 PolarHBondContact O-N 3.38Å; P432-A436 PolarHBondContact O-N 3.32Å |
| 433 | G | 96.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G385 V431 D435 A436 | G385-G433 VanDerWaalsContact O-CA 3.26Å; G385-G433 WeakPolarHBondContact O-CA 3.25Å; G385-G433 PolarHBondContact O-N 3.45Å; V431-G433 PolarHBondContact O-N 3.49Å; G433-D435 VanDerWaalsContact C-N 3.33Å; G433-A436 WeakPolarHBondContact O-CB 3.39Å; G433-A436 PolarHBondContact O-N 2.95Å |
| 434 | E | 97.2 | Very high | 95.8 | Very high | 164 Ų | 164 | 33.7 Ų | 33.7 | 77% | 0.766 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.8 | 176.2 | 61 | -170.5 | -170.2 | 0 | 0 | 114 | P432 | P432-E434 HydrophobicContact CB-CG 4.07Å; P432-E434 PolarHBondContact O-N 3.5Å; P432-E434 VanDerWaalsContact O-N 3.16Å |
| 435 | D | 97.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -15.8 | 179.6 | -69.8 | -31.1 | 0 | 0 | 0 | 112.7 | F413 P432 G433 E437 Q438 V439 | F413-D435 HydrophobicContact CD1-CB 3.92Å; F413-D435 HydrophobicContact CE1-CB 4.45Å; P432-D435 PolarHBondContact O-N 3.38Å; G433-D435 VanDerWaalsContact C-N 3.33Å; D435-E437 PolarHBondContact O-N 3.37Å; D435-Q438 PolarHBondContact O-N 3.3Å; D435-Q438 VanDerWaalsContact O-N 3.1Å; D435-V439 HydrophobicContact CB-CG2 4.3Å; D435-V439 WeakPolarHBondContact O-CG2 3.45Å; D435-V439 PolarHBondContact O-N 3.35Å |
| 436 | A | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.3 | -45 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L304 A387 V431 P432 G433 V440 | L304-A436 HydrophobicContact CD1-CB 3.85Å; A387-A436 HydrophobicContact CB-CB 3.38Å; V431-A436 HydrophobicContact CG2-CB 4.23Å; P432-A436 PolarHBondContact O-N 3.32Å; G433-A436 WeakPolarHBondContact O-CB 3.39Å; G433-A436 PolarHBondContact O-N 2.95Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.93Å; A436-V440 VanDerWaalsContact O-N 3.1Å |
| 437 | E | 96.2 | Very high | 96.6 | Very high | 87 Ų | 87 | 37.1 Ų | 37.1 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.2 | -39.6 | -179.7 | -66.7 | -171 | 178.9 | 0 | 0 | 112.1 | V233 L304 R306 D435 V439 V440 Q441 | V233-E437 HydrophobicContact CG1-CB 4.13Å; V233-E437 HydrophobicContact CG1-CG 4.14Å; L304-E437 HydrophobicContact CD2-CG 4.43Å; R306-E437 IonicContact CZ-OE1 3.49Å; R306-E437 IonicContact NE-OE1 3.45Å; R306-E437 IonicContact NH2-OE1 2.77Å; R306-E437 PolarHBondContact NH2-OE1 3.06Å; D435-E437 PolarHBondContact O-N 3.37Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 2.93Å; E437-V440 PolarHBondContact O-N 3.24Å; E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.93Å |
| 438 | Q | 97.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 46% | 0.458 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.7 | -65 | -179.1 | 56.6 | 0 | 0 | 111.5 | F413 D435 Q441 K442 | F413-Q438 HydrophobicContact CE1-CB 3.83Å; F413-Q438 HydrophobicContact CZ-CB 3.92Å; D435-Q438 PolarHBondContact O-N 3.3Å; D435-Q438 VanDerWaalsContact O-N 3.1Å; Q438-Q441 PolarHBondContact O-N 2.98Å; Q438-K442 PolarHBondContact O-N 2.8Å |
| 439 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -50.5 | 173.4 | 165.6 | 0 | 0 | 0 | 0 | 110.4 | V389 L410 F413 F429 V431 D435 E437 Q441 K442 L443 | V389-V439 HydrophobicContact CG1-CG1 4.38Å; V389-V439 HydrophobicContact CG2-CG1 3.98Å; L410-V439 HydrophobicContact CD2-CB 4.43Å; L410-V439 HydrophobicContact CD2-CG1 3.82Å; L410-V439 HydrophobicContact CD2-CG2 4.38Å; F413-V439 HydrophobicContact CB-CG2 4.08Å; F413-V439 HydrophobicContact CD1-CG2 3.76Å; F413-V439 HydrophobicContact CD2-CG2 3.8Å; F413-V439 HydrophobicContact CE1-CG2 4.04Å; F413-V439 HydrophobicContact CE2-CG2 4.08Å; F413-V439 HydrophobicContact CG-CG2 3.61Å; F413-V439 HydrophobicContact CZ-CG2 4.18Å; F429-V439 HydrophobicContact CE2-CG1 3.81Å; V431-V439 HydrophobicContact CG1-CG2 4.26Å; V431-V439 HydrophobicContact CG2-CG2 4.45Å; D435-V439 HydrophobicContact CB-CG2 4.3Å; D435-V439 WeakPolarHBondContact O-CG2 3.45Å; D435-V439 PolarHBondContact O-N 3.35Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 2.93Å; V439-Q441 PolarHBondContact O-N 2.9Å; V439-K442 PolarHBondContact O-N 3.16Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 WeakPolarHBondContact O-CB 3.21Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.26Å; V439-L443 PolarHBondContact O-N 2.9Å |
| 440 | V | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | T229 V233 V234 L302 L304 V389 A436 E437 H444 | T229-V440 WeakPolarHBondContact OG1-CG1 3.27Å; V233-V440 HydrophobicContact CG1-CB 4.17Å; V233-V440 HydrophobicContact CG1-CG1 3.96Å; V234-V440 HydrophobicContact CG2-CG1 4.03Å; L302-V440 HydrophobicContact CB-CG1 4.41Å; L302-V440 HydrophobicContact CD1-CG1 4.38Å; L304-V440 HydrophobicContact CB-CG2 4.18Å; L304-V440 HydrophobicContact CD1-CG2 4.41Å; L304-V440 HydrophobicContact CD2-CG2 4.24Å; L304-V440 HydrophobicContact CG-CG2 4.5Å; V389-V440 HydrophobicContact CG1-CG2 4.04Å; V389-V440 HydrophobicContact CG2-CG2 3.97Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.93Å; A436-V440 VanDerWaalsContact O-N 3.1Å; E437-V440 PolarHBondContact O-N 3.24Å; V440-H444 VanDerWaalsContact O-CB 3.25Å; V440-H444 WeakPolarHBondContact O-CB 3.36Å; V440-H444 PolarHBondContact O-N 3.37Å |
| 441 | Q | 97.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 178.3 | -76.5 | 166.1 | -2.1 | 0 | 0 | 112.3 | V233 V234 E437 Q438 V439 H444 S445 | V233-Q441 WeakPolarHBondContact O-CG 3.29Å; V233-Q441 PolarHBondContact O-NE2 3.17Å; V234-Q441 HydrophobicContact CG2-CB 4.43Å; V234-Q441 HydrophobicContact CG2-CG 3.84Å; E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.93Å; Q438-Q441 PolarHBondContact O-N 2.98Å; V439-Q441 PolarHBondContact O-N 2.9Å; Q441-H444 PolarHBondContact O-N 3.1Å; Q441-S445 WeakPolarHBondContact O-CB 3.24Å; Q441-S445 PolarHBondContact O-N 3.48Å |
| 442 | K | 97.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 180 | -77.5 | -177.7 | -179.5 | 177.3 | 0 | 112.6 | V409 F413 Q438 V439 H444 S445 N446 | V409-K442 HydrophobicContact CG1-CB 3.79Å; F413-K442 HydrophobicContact CE2-CD 3.58Å; F413-K442 HydrophobicContact CZ-CD 3.7Å; Q438-K442 PolarHBondContact O-N 2.8Å; V439-K442 PolarHBondContact O-N 3.16Å; K442-H444 VanDerWaalsContact C-N 3.34Å; K442-S445 PolarHBondContact O-N 3.01Å; K442-N446 WeakPolarHBondContact O-CB 3.48Å; K442-N446 PolarHBondContact O-N 2.67Å |
| 443 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 174.4 | -72.3 | 168 | 0 | 0 | 0 | 111.2 | L302 V389 V406 L410 F429 V439 S445 N446 L447 | L302-L443 HydrophobicContact CD1-CB 3.7Å; L302-L443 HydrophobicContact CD2-CB 4.23Å; L302-L443 HydrophobicContact CD2-CD1 4.09Å; V389-L443 HydrophobicContact CG1-CD1 4.18Å; V406-L443 HydrophobicContact CG1-CD2 3.95Å; L410-L443 HydrophobicContact CD1-CD1 4.31Å; L410-L443 HydrophobicContact CD1-CD2 4.31Å; L410-L443 HydrophobicContact CD2-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD2 4.02Å; L410-L443 HydrophobicContact CD2-CG 3.85Å; L410-L443 HydrophobicContact CG-CD2 4.08Å; L410-L443 HydrophobicContact CG-CG 4.44Å; F429-L443 HydrophobicContact CE2-CD1 4.05Å; F429-L443 HydrophobicContact CZ-CD1 3.5Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 WeakPolarHBondContact O-CB 3.21Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.26Å; V439-L443 PolarHBondContact O-N 2.9Å; L443-S445 PolarHBondContact O-N 2.89Å; L443-N446 PolarHBondContact O-N 3.16Å; L443-L447 HydrophobicContact CB-CD1 4.33Å; L443-L447 HydrophobicContact CD2-CD1 4.16Å; L443-L447 VanDerWaalsContact O-CB 3.26Å; L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.03Å |
| 444 | H | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 178.9 | -170.9 | -84.3 | 0 | 0 | 0 | 111 | T228 V234 A236 L302 V440 Q441 K442 N446 L447 F448 E449 | T228-H444 PolarHBondContact OG1-NE2 3.45Å; V234-H444 HydrophobicContact CG1-CB 4.1Å; V234-H444 HydrophobicContact CG2-CB 4.05Å; A236-H444 PolarHBondContact O-CE1 3.19Å; L302-H444 HydrophobicContact CD1-CB 3.96Å; V440-H444 VanDerWaalsContact O-CB 3.25Å; V440-H444 WeakPolarHBondContact O-CB 3.36Å; V440-H444 PolarHBondContact O-N 3.37Å; Q441-H444 PolarHBondContact O-N 3.1Å; K442-H444 VanDerWaalsContact C-N 3.34Å; H444-N446 VanDerWaalsContact C-N 3.28Å; H444-N446 PolarHBondContact O-N 2.94Å; H444-L447 PolarHBondContact O-N 2.98Å; H444-F448 AromaticContact CD2-CD2 3.83Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 3.37Å; H444-E449 IonicContact CE1-OE1 2.76Å; H444-E449 IonicContact CG-OE1 2.7Å; H444-E449 IonicContact ND1-OE1 2.67Å; H444-E449 PolarHBondContact ND1-OE1 2.97Å |
| 445 | S | 96.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -32.9 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 113.5 | Q441 K442 L443 E449 | Q441-S445 WeakPolarHBondContact O-CB 3.24Å; Q441-S445 PolarHBondContact O-N 3.48Å; K442-S445 PolarHBondContact O-N 3.01Å; L443-S445 PolarHBondContact O-N 2.89Å; S445-E449 WeakPolarHBondContact CA-OE1 3.36Å |
| 446 | N | 95.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.1 | -31.9 | 178.8 | -174 | 85.1 | 0 | 0 | 0 | 113.7 | V409 K442 L443 H444 | V409-N446 HydrophobicContact CG1-CB 4.3Å; V409-N446 HydrophobicContact CG2-CB 3.69Å; V409-N446 WeakPolarHBondContact CG2-ND2 3.43Å; K442-N446 WeakPolarHBondContact O-CB 3.48Å; K442-N446 PolarHBondContact O-N 2.67Å; L443-N446 PolarHBondContact O-N 3.16Å; H444-N446 VanDerWaalsContact C-N 3.28Å; H444-N446 PolarHBondContact O-N 2.94Å |
| 447 | L | 95.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -103 | -20.8 | -168.7 | -58 | 175.5 | 0 | 0 | 0 | 113.7 | F299 L391 E405 V406 L443 H444 | F299-L447 HydrophobicContact CD1-CD1 4.49Å; F299-L447 HydrophobicContact CD2-CB 4.15Å; F299-L447 HydrophobicContact CD2-CD2 3.96Å; F299-L447 HydrophobicContact CD2-CG 4.49Å; F299-L447 HydrophobicContact CE2-CD2 3.71Å; F299-L447 HydrophobicContact CG-CB 4.36Å; F299-L447 HydrophobicContact CG-CD1 4.49Å; F299-L447 HydrophobicContact CG-CD2 4.5Å; F299-L447 HydrophobicContact CZ-CD2 4.01Å; L391-L447 HydrophobicContact CD1-CD1 3.85Å; L391-L447 HydrophobicContact CD2-CD1 4.11Å; E405-L447 HydrophobicContact CG-CD2 3.73Å; V406-L447 HydrophobicContact CG2-CD1 4.43Å; L443-L447 HydrophobicContact CB-CD1 4.33Å; L443-L447 HydrophobicContact CD2-CD1 4.16Å; L443-L447 VanDerWaalsContact O-CB 3.26Å; L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.03Å; H444-L447 PolarHBondContact O-N 2.98Å |
| 448 | F | 94.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | -8.3 | -170.8 | -59.6 | -90.1 | 0 | 0 | 0 | 114.5 | T228 K238 F299 R300 L302 L391 H444 | T228-F448 HydrophobicContact CG2-CD1 3.95Å; T228-F448 HydrophobicContact CG2-CE1 4.32Å; K238-F448 PolarHBondContact NZ-O 3.32Å; F299-F448 HydrophobicContact CB-CE1 3.99Å; F299-F448 HydrophobicContact CB-CE2 4.46Å; F299-F448 HydrophobicContact CB-CZ 3.8Å; R300-F448 WeakPolarHBondContact O-CE1 3.45Å; L302-F448 HydrophobicContact CD1-CD2 4.45Å; L302-F448 HydrophobicContact CD1-CE2 3.89Å; L302-F448 HydrophobicContact CG-CE2 3.99Å; L391-F448 HydrophobicContact CD1-CE2 4.39Å; L391-F448 HydrophobicContact CD1-CZ 4.28Å; H444-F448 AromaticContact CD2-CD2 3.83Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 3.37Å |
| 449 | E | 90.3 | Very high | 96.1 | Very high | 133 Ų | 133 | 44.6 Ų | 44.6 | 62% | 0.621 | 22% | 0.224 | S | C | * | . | trans | -115.7 | 0 | 179.8 | -63.4 | 171.1 | -136.8 | 0 | 0 | 110.2 | A236 H444 S445 | A236-E449 HydrophobicContact CB-CG 4.23Å; A236-E449 VanDerWaalsContact CB-OE1 3.27Å; A236-E449 WeakPolarHBondContact CB-OE1 3.27Å; H444-E449 IonicContact CE1-OE1 2.76Å; H444-E449 IonicContact CG-OE1 2.7Å; H444-E449 IonicContact ND1-OE1 2.67Å; H444-E449 PolarHBondContact ND1-OE1 2.97Å; S445-E449 WeakPolarHBondContact CA-OE1 3.36Å |
Retrieved 449 of 449 residues in 245.4 ms
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