| 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 | 52.9 | Low | 87.9 | Confident | 146 Ų | 146 | 30.5 Ų | 30.5 | 72% | 0.719 | 15% | 0.152 | S | C | * | . | 0 | 148.8 | 0 | -71.2 | -179.9 | -171.4 | 0 | 0 | 106.7 | D3 I141 | M1-D3 VanDerWaalsContact CB-OD1 3.32Å; M1-D3 WeakPolarHBondContact CB-OD1 3.36Å; M1-D3 PolarHBondContact O-N 3.5Å; M1-I141 CarbonylContact C-O 3.56Å; M1-I141 PolarHBondContact N-O 3.48Å | |||
| 2 | S | 73.9 | Confident | 88.6 | Confident | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | trans | -72.5 | 46.3 | -178.2 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | I4 L5 R6 L136 I141 | S2-I4 PolarHBondContact O-N 2.94Å; S2-L5 PolarHBondContact O-N 3.04Å; S2-R6 PolarHBondContact O-N 3.04Å; S2-L136 WeakPolarHBondContact OG-CD1 3.47Å; S2-I141 PolarHBondContact N-O 2.75Å | ||
| 3 | D | 87.9 | Confident | 89.1 | Confident | 69 Ų | 69 | 26.5 Ų | 26.5 | 37% | 0.369 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63 | -33.1 | -169.7 | -60.5 | -34.3 | 0 | 0 | 0 | 112.1 | M1 R6 E7 F69 | M1-D3 VanDerWaalsContact CB-OD1 3.32Å; M1-D3 WeakPolarHBondContact CB-OD1 3.36Å; M1-D3 PolarHBondContact O-N 3.5Å; D3-R6 PolarHBondContact O-N 2.85Å; D3-E7 PolarHBondContact O-N 2.98Å; D3-F69 HydrophobicContact CB-CE1 4.15Å; D3-F69 HydrophobicContact CB-CZ 3.94Å |
| 4 | I | 92.6 | Very high | 89.6 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 9% | 0.092 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 172.8 | -66.9 | 177.9 | 0 | 0 | 0 | 109.9 | S2 R6 E7 L8 M65 F69 L148 M198 | S2-I4 PolarHBondContact O-N 2.94Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.4Å; I4-E7 PolarHBondContact O-N 3.27Å; I4-L8 HydrophobicContact CG2-CD1 4.07Å; I4-L8 HydrophobicContact CG2-CG 4.38Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 3.03Å; I4-M65 HydrophobicContact CG2-CE 3.89Å; I4-F69 HydrophobicContact CB-CZ 4.41Å; I4-F69 HydrophobicContact CG1-CD1 3.9Å; I4-F69 HydrophobicContact CG1-CD2 4.22Å; I4-F69 HydrophobicContact CG1-CE1 3.7Å; I4-F69 HydrophobicContact CG1-CE2 4.03Å; I4-F69 HydrophobicContact CG1-CG 4.16Å; I4-F69 HydrophobicContact CG1-CZ 3.78Å; I4-L148 HydrophobicContact CD1-CD1 3.44Å; I4-L148 VanDerWaalsContact CD1-CD1 3.44Å; I4-M198 HydrophobicContact CG2-CE 4.16Å |
| 5 | L | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | -179.7 | -176.3 | 54.4 | 0 | 0 | 0 | 112.1 | S2 L8 L9 L136 M198 V200 W221 L223 | S2-L5 PolarHBondContact O-N 3.04Å; L5-L8 PolarHBondContact O-N 3.05Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 2.8Å; L5-L136 HydrophobicContact CB-CD1 4.31Å; L5-L136 HydrophobicContact CD2-CD1 3.67Å; L5-L136 HydrophobicContact CG-CD1 3.98Å; L5-M198 HydrophobicContact CB-SD 3.98Å; L5-M198 HydrophobicContact CD1-CB 4.37Å; L5-V200 HydrophobicContact CD1-CG2 3.66Å; L5-W221 HydrophobicContact CD1-CB 4.3Å; L5-W221 HydrophobicContact CD2-CD2 4.3Å; L5-W221 HydrophobicContact CD2-CE3 3.63Å; L5-W221 HydrophobicContact CD2-CZ3 4.07Å; L5-L223 HydrophobicContact CD2-CB 4.14Å; L5-L223 HydrophobicContact CD2-CD1 4.25Å |
| 6 | R | 92.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 22.6 Ų | 22.6 | 20% | 0.204 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.2 | -177.3 | -177.5 | -56.3 | -78.3 | -8 | 111.8 | S2 D3 I4 L8 L9 C10 L136 D137 | S2-R6 PolarHBondContact O-N 3.04Å; D3-R6 PolarHBondContact O-N 2.85Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.4Å; R6-L8 VanDerWaalsContact C-N 3.33Å; R6-L9 WeakPolarHBondContact O-CB 3.36Å; R6-L9 PolarHBondContact O-N 3.39Å; R6-C10 PolarHBondContact O-N 3.25Å; R6-C10 VanDerWaalsContact O-N 3.14Å; R6-C10 PolarHBondContact O-SG 2.96Å; R6-L136 HydrophobicContact CB-CD2 3.93Å; R6-L136 HydrophobicContact CG-CD2 4.46Å; R6-D137 IonicContact CZ-OD1 2.61Å; R6-D137 IonicContact NH1-OD1 2.67Å; R6-D137 PolarHBondContact NH1-OD1 2.86Å; R6-D137 IonicContact NH2-OD1 3.98Å; R6-D137 PolarHBondContact NH2-OD1 3.19Å |
| 7 | E | 93.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 23.5 Ų | 23.5 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.6 | -169.1 | 61.3 | -159.5 | 0 | 0 | 111.3 | D3 I4 L9 C10 V11 M65 K68 F69 | D3-E7 PolarHBondContact O-N 2.98Å; I4-E7 PolarHBondContact O-N 3.27Å; E7-L9 PolarHBondContact O-N 2.76Å; E7-C10 WeakPolarHBondContact O-CB 3.26Å; E7-C10 PolarHBondContact O-N 3.12Å; E7-V11 HydrophobicContact CG-CG1 4.24Å; E7-V11 WeakPolarHBondContact O-CG1 3.42Å; E7-V11 WeakPolarHBondContact O-CG2 3.45Å; E7-V11 PolarHBondContact O-N 2.75Å; E7-M65 HydrophobicContact CB-CE 4.46Å; E7-M65 HydrophobicContact CB-SD 3.85Å; E7-M65 HydrophobicContact CG-SD 3.49Å; E7-M65 WeakPolarHBondContact CG-SD 3.36Å; E7-K68 HydrophobicContact CB-CD 4.04Å; E7-K68 VanDerWaalsContact CD-CD 3.44Å; E7-K68 HydrophobicContact CG-CD 3.7Å; E7-K68 WeakPolarHBondContact OE2-CD 3.5Å; E7-K68 WeakPolarHBondContact OE2-CE 3.4Å; E7-K68 IonicContact OE2-NZ 3.68Å; E7-K68 PolarHBondContact OE2-NZ 3.3Å; E7-F69 HydrophobicContact CB-CE2 3.73Å; E7-F69 HydrophobicContact CB-CZ 4.43Å; E7-F69 HydrophobicContact CG-CE2 4.1Å |
| 8 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.3 | -39.2 | 174.3 | -72.8 | 177.7 | 0 | 0 | 0 | 112.3 | I4 L5 R6 V11 S12 M65 I150 I186 V188 V200 | I4-L8 HydrophobicContact CG2-CD1 4.07Å; I4-L8 HydrophobicContact CG2-CG 4.38Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 3.03Å; L5-L8 PolarHBondContact O-N 3.05Å; R6-L8 VanDerWaalsContact C-N 3.33Å; L8-V11 HydrophobicContact CD2-CG2 4.44Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L8-S12 VanDerWaalsContact O-CB 3.23Å; L8-S12 WeakPolarHBondContact O-CB 3.45Å; L8-S12 PolarHBondContact O-N 2.87Å; L8-S12 PolarHBondContact O-OG 2.81Å; L8-M65 HydrophobicContact CD2-CE 3.81Å; L8-M65 HydrophobicContact CD2-CG 4.25Å; L8-M65 HydrophobicContact CD2-SD 3.78Å; L8-M65 HydrophobicContact CG-CE 3.97Å; L8-M65 HydrophobicContact CG-SD 4.22Å; L8-I150 HydrophobicContact CD2-CD1 4.4Å; L8-I186 HydrophobicContact CD2-CD1 4.4Å; L8-I186 HydrophobicContact CD2-CG2 3.63Å; L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L8-V200 HydrophobicContact CB-CG2 3.86Å |
| 9 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 174.7 | -71.1 | 162.3 | 0 | 0 | 0 | 111.8 | L5 R6 E7 V11 S12 E13 F131 L136 V200 C219 W221 | L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 2.8Å; R6-L9 WeakPolarHBondContact O-CB 3.36Å; R6-L9 PolarHBondContact O-N 3.39Å; E7-L9 PolarHBondContact O-N 2.76Å; L9-V11 PolarHBondContact O-N 3.44Å; L9-S12 PolarHBondContact O-N 3.18Å; L9-S12 PolarHBondContact O-OG 3.42Å; L9-E13 PolarHBondContact O-N 3.37Å; L9-E13 VanDerWaalsContact O-N 3.12Å; L9-F131 HydrophobicContact CB-CB 4.38Å; L9-F131 HydrophobicContact CB-CD1 3.75Å; L9-F131 HydrophobicContact CB-CD2 4.42Å; L9-F131 HydrophobicContact CB-CE1 4.12Å; L9-F131 HydrophobicContact CB-CG 3.92Å; L9-F131 HydrophobicContact CD1-CD1 3.83Å; L9-F131 HydrophobicContact CD1-CE1 3.54Å; L9-F131 HydrophobicContact CD1-CZ 4.27Å; L9-F131 HydrophobicContact CD2-CE1 4.29Å; L9-F131 HydrophobicContact CD2-CZ 4.25Å; L9-F131 HydrophobicContact CG-CD1 4.3Å; L9-F131 HydrophobicContact CG-CE1 4.2Å; L9-L136 HydrophobicContact CD1-CD2 3.5Å; L9-L136 VanDerWaalsContact CD1-CD2 3.5Å; L9-V200 HydrophobicContact CD2-CG1 3.9Å; L9-V200 HydrophobicContact CD2-CG2 4.09Å; L9-V200 HydrophobicContact CG-CG2 4.21Å; L9-C219 WeakPolarHBondContact CD2-SG 3.25Å; L9-W221 HydrophobicContact CD1-CG 4.09Å; L9-W221 HydrophobicContact CD2-CB 3.99Å; L9-W221 HydrophobicContact CD2-CG 4.16Å |
| 10 | C | 94.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 11% | 0.108 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.2 | -48.2 | 176.6 | -66.5 | 0 | 0 | 0 | 0 | 112 | R6 E7 E13 K14 | R6-C10 PolarHBondContact O-N 3.25Å; R6-C10 VanDerWaalsContact O-N 3.14Å; R6-C10 PolarHBondContact O-SG 2.96Å; E7-C10 WeakPolarHBondContact O-CB 3.26Å; E7-C10 PolarHBondContact O-N 3.12Å; C10-E13 PolarHBondContact O-N 3.36Å; C10-K14 PolarHBondContact O-N 3.32Å |
| 11 | V | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.8 | -30.5 | -178.7 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | E7 L8 L9 E13 K14 A15 I61 N64 M65 I186 | E7-V11 HydrophobicContact CG-CG1 4.24Å; E7-V11 WeakPolarHBondContact O-CG1 3.42Å; E7-V11 WeakPolarHBondContact O-CG2 3.45Å; E7-V11 PolarHBondContact O-N 2.75Å; L8-V11 HydrophobicContact CD2-CG2 4.44Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L9-V11 PolarHBondContact O-N 3.44Å; V11-E13 VanDerWaalsContact C-N 3.27Å; V11-E13 PolarHBondContact O-N 3.09Å; V11-K14 PolarHBondContact O-N 3.37Å; V11-A15 WeakPolarHBondContact O-CB 3.42Å; V11-A15 PolarHBondContact O-N 3.07Å; V11-I61 HydrophobicContact CB-CG1 4.31Å; V11-I61 HydrophobicContact CG2-CB 4.46Å; V11-I61 HydrophobicContact CG2-CG1 4.15Å; V11-I61 HydrophobicContact CG2-CG2 4.13Å; V11-N64 HydrophobicContact CB-CB 4.49Å; V11-N64 HydrophobicContact CG1-CB 3.36Å; V11-M65 HydrophobicContact CG2-SD 4.43Å; V11-I186 HydrophobicContact CG2-CD1 4.16Å |
| 12 | S | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63 | -36.5 | 171.8 | 80 | 0 | 0 | 0 | 0 | 111.7 | L8 L9 A15 A16 N202 | L8-S12 VanDerWaalsContact O-CB 3.23Å; L8-S12 WeakPolarHBondContact O-CB 3.45Å; L8-S12 PolarHBondContact O-N 2.87Å; L8-S12 PolarHBondContact O-OG 2.81Å; L9-S12 PolarHBondContact O-N 3.18Å; L9-S12 PolarHBondContact O-OG 3.42Å; S12-A15 WeakPolarHBondContact O-CB 3.14Å; S12-A15 PolarHBondContact O-N 3.07Å; S12-A16 WeakPolarHBondContact O-CB 3.42Å; S12-A16 PolarHBondContact O-N 3.19Å; S12-N202 PolarHBondContact O-ND2 2.79Å; S12-N202 PolarHBondContact OG-ND2 3.08Å |
| 13 | E | 95.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -78.8 | -33.2 | 179.3 | -178.9 | 57.8 | -163.9 | 0 | 0 | 111.8 | L9 C10 V11 A15 A16 N17 R20 V129 N202 L237 | L9-E13 PolarHBondContact O-N 3.37Å; L9-E13 VanDerWaalsContact O-N 3.12Å; C10-E13 PolarHBondContact O-N 3.36Å; V11-E13 VanDerWaalsContact C-N 3.27Å; V11-E13 PolarHBondContact O-N 3.09Å; E13-A15 VanDerWaalsContact C-N 3.32Å; E13-A16 WeakPolarHBondContact O-CB 3.47Å; E13-A16 PolarHBondContact O-N 3Å; E13-N17 PolarHBondContact O-N 3.26Å; E13-N17 PolarHBondContact O-ND2 3.33Å; E13-R20 IonicContact OE1-CZ 2.63Å; E13-R20 IonicContact OE1-NH1 2.65Å; E13-R20 IonicContact OE1-NH2 3.65Å; E13-R20 PolarHBondContact OE1-NH2 2.92Å; E13-R20 IonicContact OE2-NH2 3.8Å; E13-V129 HydrophobicContact CB-CG1 3.89Å; E13-V129 HydrophobicContact CG-CG1 3.65Å; E13-N202 WeakPolarHBondContact CA-ND2 3.29Å; E13-N202 PolarHBondContact OE2-ND2 2.74Å; E13-L237 HydrophobicContact CB-CD1 4.11Å; E13-L237 VanDerWaalsContact CD-CD1 3.48Å; E13-L237 HydrophobicContact CG-CB 4.41Å; E13-L237 HydrophobicContact CG-CD1 3.9Å; E13-L237 WeakPolarHBondContact OE1-CB 3.09Å; E13-L237 WeakPolarHBondContact OE2-CD1 3.5Å |
| 14 | K | 95.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 7% | 0.074 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 167.7 | -163.3 | 172.5 | -179.9 | -172.3 | 0 | 111.3 | C10 V11 N17 I18 V60 N64 V125 Q127 V129 | C10-K14 PolarHBondContact O-N 3.32Å; V11-K14 PolarHBondContact O-N 3.37Å; K14-N17 WeakPolarHBondContact O-CB 3.36Å; K14-N17 PolarHBondContact O-N 2.91Å; K14-I18 WeakPolarHBondContact O-CG1 3.36Å; K14-I18 PolarHBondContact O-N 3.13Å; K14-I18 VanDerWaalsContact O-N 3.13Å; K14-V60 HydrophobicContact CB-CG1 4.42Å; K14-V60 HydrophobicContact CD-CG1 3.73Å; K14-V60 HydrophobicContact CG-CG1 3.97Å; K14-N64 PolarHBondContact NZ-OD1 3.17Å; K14-N64 VanDerWaalsContact NZ-OD1 3.15Å; K14-V125 VanDerWaalsContact CE-C 3.46Å; K14-V125 WeakPolarHBondContact CE-O 3.24Å; K14-V125 PolarHBondContact NZ-O 3.27Å; K14-Q127 WeakPolarHBondContact CE-O 3.31Å; K14-V129 HydrophobicContact CB-CG2 4.16Å; K14-V129 HydrophobicContact CG-CG2 4.46Å |
| 15 | A | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 S12 E13 N17 I18 A19 V57 I61 I184 | V11-A15 WeakPolarHBondContact O-CB 3.42Å; V11-A15 PolarHBondContact O-N 3.07Å; S12-A15 WeakPolarHBondContact O-CB 3.14Å; S12-A15 PolarHBondContact O-N 3.07Å; E13-A15 VanDerWaalsContact C-N 3.32Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.83Å; A15-I18 WeakPolarHBondContact O-CB 3.09Å; A15-I18 PolarHBondContact O-N 2.95Å; A15-I18 VanDerWaalsContact O-N 3.16Å; A15-A19 PolarHBondContact O-N 2.66Å; A15-V57 HydrophobicContact CB-CB 4.45Å; A15-V57 HydrophobicContact CB-CG1 3.52Å; A15-V57 HydrophobicContact CB-CG2 4.31Å; A15-I61 HydrophobicContact CB-CD1 4.24Å; A15-I61 HydrophobicContact CB-CG1 4.49Å; A15-I184 HydrophobicContact CB-CD1 3.72Å; A15-I184 HydrophobicContact CB-CG1 4.44Å; A15-I184 HydrophobicContact CB-CG2 4.17Å |
| 16 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S12 E13 A19 R20 I184 P204 | S12-A16 WeakPolarHBondContact O-CB 3.42Å; S12-A16 PolarHBondContact O-N 3.19Å; E13-A16 WeakPolarHBondContact O-CB 3.47Å; E13-A16 PolarHBondContact O-N 3Å; A16-A19 PolarHBondContact O-N 3.05Å; A16-R20 WeakPolarHBondContact O-CB 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.25Å; A16-R20 PolarHBondContact O-N 3.37Å; A16-R20 PolarHBondContact O-NE 3.37Å; A16-I184 VanDerWaalsContact CA-CD1 3.4Å; A16-I184 HydrophobicContact CB-CD1 3.72Å; A16-P204 HydrophobicContact CB-CB 3.93Å; A16-P204 HydrophobicContact CB-CG 3.97Å |
| 17 | N | 95.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 20% | 0.203 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 173.8 | -75.1 | -32.9 | 0 | 0 | 0 | 112.2 | E13 K14 A15 R20 A21 V124 | E13-N17 PolarHBondContact O-N 3.26Å; E13-N17 PolarHBondContact O-ND2 3.33Å; K14-N17 WeakPolarHBondContact O-CB 3.36Å; K14-N17 PolarHBondContact O-N 2.91Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.83Å; N17-R20 PolarHBondContact O-N 3.41Å; N17-R20 PolarHBondContact OD1-NH2 2.86Å; N17-A21 WeakPolarHBondContact O-CB 3.29Å; N17-A21 PolarHBondContact O-N 3.04Å; N17-V124 HydrophobicContact CB-CG1 4.05Å |
| 18 | I | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 174.1 | -61.7 | 159.7 | 0 | 0 | 0 | 109.9 | K14 A15 R20 A21 C22 L56 V57 V60 L121 V124 V125 | K14-I18 WeakPolarHBondContact O-CG1 3.36Å; K14-I18 PolarHBondContact O-N 3.13Å; K14-I18 VanDerWaalsContact O-N 3.13Å; A15-I18 WeakPolarHBondContact O-CB 3.09Å; A15-I18 PolarHBondContact O-N 2.95Å; A15-I18 VanDerWaalsContact O-N 3.16Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 3.46Å; I18-A21 PolarHBondContact O-N 3.46Å; I18-A21 VanDerWaalsContact O-N 3.11Å; I18-C22 PolarHBondContact O-N 3.4Å; I18-C22 PolarHBondContact O-SG 3.27Å; I18-L56 HydrophobicContact CG2-CD2 4.25Å; I18-V57 HydrophobicContact CB-CG2 4.15Å; I18-V57 HydrophobicContact CD1-CG2 4.32Å; I18-V57 HydrophobicContact CG2-CG2 4.03Å; I18-V60 HydrophobicContact CD1-CB 4.28Å; I18-V60 HydrophobicContact CD1-CG1 4.34Å; I18-V60 HydrophobicContact CD1-CG2 3.66Å; I18-L121 HydrophobicContact CG2-CD2 4.44Å; I18-V124 HydrophobicContact CB-CG1 4.41Å; I18-V124 HydrophobicContact CG1-CG1 3.77Å; I18-V125 HydrophobicContact CD1-CG1 3.68Å; I18-V125 HydrophobicContact CG1-CG1 3.94Å |
| 19 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.4 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A15 A16 I155 Y161 P204 | A15-A19 PolarHBondContact O-N 2.66Å; A16-A19 PolarHBondContact O-N 3.05Å; A19-I155 HydrophobicContact CB-CD1 4.44Å; A19-Y161 HydrophobicContact CB-CE2 4.22Å; A19-Y161 WeakPolarHBondContact O-CE2 3.45Å; A19-Y161 PolarHBondContact O-OH 3.09Å; A19-P204 HydrophobicContact CB-CB 4.47Å; A19-P204 HydrophobicContact CB-CG 4.3Å |
| 20 | R | 95.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -45.8 | 174.1 | -75.8 | -177.1 | -71.5 | -103.7 | 1.9 | 112.2 | E13 A16 N17 I18 C22 R23 Q24 P204 F205 W215 | E13-R20 IonicContact OE1-CZ 2.63Å; E13-R20 IonicContact OE1-NH1 2.65Å; E13-R20 IonicContact OE1-NH2 3.65Å; E13-R20 PolarHBondContact OE1-NH2 2.92Å; E13-R20 IonicContact OE2-NH2 3.8Å; A16-R20 WeakPolarHBondContact O-CB 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.25Å; A16-R20 PolarHBondContact O-N 3.37Å; A16-R20 PolarHBondContact O-NE 3.37Å; N17-R20 PolarHBondContact O-N 3.41Å; N17-R20 PolarHBondContact OD1-NH2 2.86Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 3.46Å; R20-C22 VanDerWaalsContact C-N 3.33Å; R20-C22 PolarHBondContact O-N 3.46Å; R20-R23 PolarHBondContact O-N 3.08Å; R20-Q24 WeakPolarHBondContact O-CB 3.47Å; R20-Q24 WeakPolarHBondContact O-CG 3.46Å; R20-Q24 PolarHBondContact O-N 2.91Å; R20-P204 WeakPolarHBondContact CD-O 3.35Å; R20-P204 HydrophobicContact CG-CB 4.23Å; R20-P204 PolarHBondContact NH1-O 3.18Å; R20-F205 HydrophobicContact CB-CE1 4.37Å; R20-F205 HydrophobicContact CG-CD1 4.2Å; R20-F205 HydrophobicContact CG-CE1 3.65Å; R20-F205 HydrophobicContact CG-CZ 4.09Å; R20-W215 HydrophobicContact CG-CB 4.37Å |
| 21 | A | 93.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | N17 I18 R23 Q24 Q25 L28 V124 | N17-A21 WeakPolarHBondContact O-CB 3.29Å; N17-A21 PolarHBondContact O-N 3.04Å; I18-A21 PolarHBondContact O-N 3.46Å; I18-A21 VanDerWaalsContact O-N 3.11Å; A21-R23 PolarHBondContact O-N 2.97Å; A21-R23 VanDerWaalsContact O-N 3.08Å; A21-Q24 PolarHBondContact O-N 3.01Å; A21-Q24 VanDerWaalsContact O-N 3.14Å; A21-Q25 WeakPolarHBondContact O-CB 3.39Å; A21-Q25 PolarHBondContact O-N 3.23Å; A21-L28 HydrophobicContact CB-CD1 4.4Å; A21-V124 HydrophobicContact CB-CB 4.4Å; A21-V124 HydrophobicContact CB-CG1 4.1Å; A21-V124 HydrophobicContact CB-CG2 3.71Å |
| 22 | C | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.4 | -25.1 | 175.7 | -74.1 | 0 | 0 | 0 | 0 | 113.6 | I18 R20 L28 F29 F49 Y161 | I18-C22 PolarHBondContact O-N 3.4Å; I18-C22 PolarHBondContact O-SG 3.27Å; R20-C22 VanDerWaalsContact C-N 3.33Å; R20-C22 PolarHBondContact O-N 3.46Å; C22-L28 CarbonylContact O-C 3.54Å; C22-F29 VanDerWaalsContact O-CA 3.3Å; C22-F29 WeakPolarHBondContact O-CA 3.34Å; C22-F29 PolarHBondContact O-N 3.28Å; C22-F49 HydrophobicContact CB-CE1 4.23Å; C22-Y161 WeakPolarHBondContact CB-OH 3.4Å |
| 23 | R | 91.2 | Very high | 88.6 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 15% | 0.151 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -101.7 | -20 | 177.1 | -63.6 | -159.7 | 64.1 | 82.9 | 10.2 | 114.8 | R20 A21 L32 Y161 I162 G164 | R20-R23 PolarHBondContact O-N 3.08Å; A21-R23 PolarHBondContact O-N 2.97Å; A21-R23 VanDerWaalsContact O-N 3.08Å; R23-L32 HydrophobicContact CG-CD2 3.62Å; R23-L32 VanDerWaalsContact NH1-CD2 3.34Å; R23-Y161 HydrophobicContact CG-CE2 3.85Å; R23-Y161 PolarHBondContact NH1-O 3.11Å; R23-I162 PolarHBondContact NH1-O 3.03Å; R23-I162 VanDerWaalsContact NH1-O 3.13Å; R23-G164 VanDerWaalsContact NH2-CA 3.33Å |
| 24 | Q | 87.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -99.5 | -26.7 | -174.8 | -73 | 177.4 | -24 | 0 | 0 | 113.2 | R20 A21 | R20-Q24 WeakPolarHBondContact O-CB 3.47Å; R20-Q24 WeakPolarHBondContact O-CG 3.46Å; R20-Q24 PolarHBondContact O-N 2.91Å; A21-Q24 PolarHBondContact O-N 3.01Å; A21-Q24 VanDerWaalsContact O-N 3.14Å |
| 25 | Q | 85.4 | Confident | 85 | Confident | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -90.8 | 122.1 | 177.5 | -59.1 | -166.2 | 44.8 | 0 | 0 | 109.5 | A21 A27 L28 F29 | A21-Q25 WeakPolarHBondContact O-CB 3.39Å; A21-Q25 PolarHBondContact O-N 3.23Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 3.17Å; Q25-L28 HydrophobicContact CB-CB 4.32Å; Q25-L28 HydrophobicContact CB-CD1 4.03Å; Q25-L28 HydrophobicContact CB-CG 4.05Å; Q25-L28 HydrophobicContact CG-CD1 4.38Å; Q25-L28 PolarHBondContact O-N 2.87Å; Q25-F29 WeakPolarHBondContact O-CB 3.21Å; Q25-F29 PolarHBondContact O-N 3.47Å |
| 26 | E | 82 | Confident | 82.7 | Confident | 157 Ų | 157 | 49.6 Ų | 49.6 | 73% | 0.734 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.1 | -45.1 | -173.6 | -174.8 | 173.4 | -168.3 | 0 | 0 | 112.8 | L28 F29 Q30 | E26-L28 VanDerWaalsContact C-N 3.28Å; E26-L28 PolarHBondContact O-N 3.15Å; E26-F29 PolarHBondContact O-N 3.43Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.19Å |
| 27 | A | 81.2 | Confident | 80.1 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 26% | 0.256 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -32.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q25 V116 | Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 3.17Å; A27-V116 HydrophobicContact CB-CB 4.47Å; A27-V116 HydrophobicContact CB-CG1 3.7Å |
| 28 | L | 84.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -82.7 | -38.4 | 176.6 | -57.4 | -178.3 | 0 | 0 | 0 | 111.3 | A21 C22 Q25 E26 Q30 L31 L32 F49 A117 A120 L121 | A21-L28 HydrophobicContact CB-CD1 4.4Å; C22-L28 CarbonylContact O-C 3.54Å; Q25-L28 HydrophobicContact CB-CB 4.32Å; Q25-L28 HydrophobicContact CB-CD1 4.03Å; Q25-L28 HydrophobicContact CB-CG 4.05Å; Q25-L28 HydrophobicContact CG-CD1 4.38Å; Q25-L28 PolarHBondContact O-N 2.87Å; E26-L28 VanDerWaalsContact C-N 3.28Å; E26-L28 PolarHBondContact O-N 3.15Å; L28-Q30 VanDerWaalsContact C-N 3.32Å; L28-Q30 PolarHBondContact O-N 3.38Å; L28-L31 WeakPolarHBondContact O-CB 3.12Å; L28-L31 PolarHBondContact O-N 3.5Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-L32 VanDerWaalsContact O-N 3.09Å; L28-F49 HydrophobicContact CB-CZ 4.17Å; L28-F49 HydrophobicContact CD2-CZ 4.2Å; L28-A117 HydrophobicContact CD2-CB 3.65Å; L28-A117 WeakPolarHBondContact CD2-O 3.08Å; L28-A120 HydrophobicContact CD1-CB 4.11Å; L28-A120 HydrophobicContact CD2-CB 4.23Å; L28-A120 HydrophobicContact CG-CB 4.19Å; L28-L121 HydrophobicContact CD1-CD2 3.83Å; L28-L121 HydrophobicContact CD1-CG 4.04Å; L28-L121 HydrophobicContact CD2-CD1 4.07Å; L28-L121 HydrophobicContact CD2-CD2 4.24Å; L28-L121 HydrophobicContact CD2-CG 3.7Å |
| 29 | F | 83.9 | Confident | 75 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | -178.9 | -179.8 | -116.3 | 0 | 0 | 0 | 111.8 | C22 Q25 E26 L31 L32 I33 | C22-F29 VanDerWaalsContact O-CA 3.3Å; C22-F29 WeakPolarHBondContact O-CA 3.34Å; C22-F29 PolarHBondContact O-N 3.28Å; Q25-F29 WeakPolarHBondContact O-CB 3.21Å; Q25-F29 PolarHBondContact O-N 3.47Å; E26-F29 PolarHBondContact O-N 3.43Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 3.13Å; F29-L32 WeakPolarHBondContact O-CB 3.3Å; F29-L32 PolarHBondContact O-N 3.32Å; F29-L32 VanDerWaalsContact O-N 3.14Å; F29-I33 HydrophobicContact CD1-CD1 4.18Å; F29-I33 HydrophobicContact CD2-CG2 4.04Å; F29-I33 HydrophobicContact CE1-CD1 3.69Å; F29-I33 HydrophobicContact CE1-CG1 4.48Å; F29-I33 HydrophobicContact CE1-CG2 4.19Å; F29-I33 HydrophobicContact CE2-CG2 3.41Å; F29-I33 VanDerWaalsContact CE2-CG2 3.41Å; F29-I33 HydrophobicContact CZ-CD1 4.04Å; F29-I33 HydrophobicContact CZ-CG2 3.51Å; F29-I33 WeakPolarHBondContact O-CG1 3.33Å; F29-I33 PolarHBondContact O-N 3.07Å; F29-I33 VanDerWaalsContact O-N 3.07Å |
| 30 | Q | 81.3 | Confident | 72.4 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 175.2 | -66.7 | -56.8 | -31.3 | 0 | 0 | 111.6 | E26 L28 L32 I33 E34 | E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.19Å; L28-Q30 VanDerWaalsContact C-N 3.32Å; L28-Q30 PolarHBondContact O-N 3.38Å; Q30-L32 VanDerWaalsContact C-N 3.27Å; Q30-L32 PolarHBondContact O-N 3.33Å; Q30-I33 PolarHBondContact O-N 2.83Å; Q30-E34 VanDerWaalsContact O-CB 3.3Å; Q30-E34 WeakPolarHBondContact O-CB 3.45Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 2.87Å |
| 31 | L | 81.8 | Confident | 69.7 | Low | 13 Ų | 13 | 84 Ų | 84 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63 | -34.4 | 177 | -61.1 | 171.7 | 0 | 0 | 0 | 112.2 | L28 F29 F45 F49 L111 A117 | L28-L31 WeakPolarHBondContact O-CB 3.12Å; L28-L31 PolarHBondContact O-N 3.5Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 3.13Å; L31-F45 HydrophobicContact CD2-CE1 4.47Å; L31-F45 HydrophobicContact CD2-CE2 3.75Å; L31-F45 HydrophobicContact CD2-CZ 3.69Å; L31-F49 HydrophobicContact CB-CB 4.19Å; L31-F49 HydrophobicContact CB-CD1 4.09Å; L31-F49 HydrophobicContact CB-CD2 3.45Å; L31-F49 VanDerWaalsContact CB-CD2 3.45Å; L31-F49 HydrophobicContact CB-CE1 4.35Å; L31-F49 HydrophobicContact CB-CE2 3.76Å; L31-F49 HydrophobicContact CB-CG 3.64Å; L31-F49 HydrophobicContact CB-CZ 4.2Å; L31-F49 HydrophobicContact CD1-CD2 3.84Å; L31-F49 HydrophobicContact CD1-CE2 3.59Å; L31-F49 HydrophobicContact CD1-CZ 4.4Å; L31-F49 HydrophobicContact CG-CD2 4.26Å; L31-F49 HydrophobicContact CG-CE2 4.34Å; L31-F49 WeakPolarHBondContact O-CB 3.3Å; L31-L111 HydrophobicContact CD1-CD2 4.02Å; L31-A117 HydrophobicContact CD1-CB 3.62Å |
| 32 | L | 77.6 | Confident | 67.1 | Low | 1 Ų | 1 | 89.1 Ų | 89.1 | 1% | 0.005 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70.5 | -32.3 | 177.5 | -167.6 | 71.4 | 0 | 0 | 0 | 113.5 | R23 L28 F29 Q30 F49 Y161 I162 | R23-L32 HydrophobicContact CG-CD2 3.62Å; R23-L32 VanDerWaalsContact NH1-CD2 3.34Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-L32 VanDerWaalsContact O-N 3.09Å; F29-L32 WeakPolarHBondContact O-CB 3.3Å; F29-L32 PolarHBondContact O-N 3.32Å; F29-L32 VanDerWaalsContact O-N 3.14Å; Q30-L32 VanDerWaalsContact C-N 3.27Å; Q30-L32 PolarHBondContact O-N 3.33Å; L32-F49 HydrophobicContact CB-CD1 3.86Å; L32-F49 HydrophobicContact CB-CE1 4.04Å; L32-F49 HydrophobicContact CD1-CD1 3.71Å; L32-F49 HydrophobicContact CD1-CE1 4.08Å; L32-F49 HydrophobicContact CG-CD1 4.42Å; L32-Y161 HydrophobicContact CD1-CD1 4.45Å; L32-Y161 HydrophobicContact CD1-CE1 3.84Å; L32-Y161 HydrophobicContact CD2-CE1 4.15Å; L32-I162 HydrophobicContact CD1-CD1 3.38Å; L32-I162 HydrophobicContact CG-CD1 3.89Å |
| 33 | I | 70.8 | Confident | 64.9 | Low | 70 Ų | 70 | 98.4 Ų | 98.4 | 36% | 0.359 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -103.5 | -10.4 | -176.5 | 68.1 | 169.5 | 0 | 0 | 0 | 114.5 | F29 Q30 E35 | F29-I33 HydrophobicContact CD1-CD1 4.18Å; F29-I33 HydrophobicContact CD2-CG2 4.04Å; F29-I33 HydrophobicContact CE1-CD1 3.69Å; F29-I33 HydrophobicContact CE1-CG1 4.48Å; F29-I33 HydrophobicContact CE1-CG2 4.19Å; F29-I33 HydrophobicContact CE2-CG2 3.41Å; F29-I33 VanDerWaalsContact CE2-CG2 3.41Å; F29-I33 HydrophobicContact CZ-CD1 4.04Å; F29-I33 HydrophobicContact CZ-CG2 3.51Å; F29-I33 WeakPolarHBondContact O-CG1 3.33Å; F29-I33 PolarHBondContact O-N 3.07Å; F29-I33 VanDerWaalsContact O-N 3.07Å; Q30-I33 PolarHBondContact O-N 2.83Å; I33-E35 PolarHBondContact O-N 3.15Å; I33-E35 VanDerWaalsContact O-N 3.17Å |
| 34 | E | 61.3 | Low | 62.6 | Low | 115 Ų | 115 | 105.5 Ų | 105.5 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -63.8 | -12.2 | 172.4 | -86.1 | 174.3 | -169.3 | 0 | 0 | 112 | Q30 K36 | Q30-E34 VanDerWaalsContact O-CB 3.3Å; Q30-E34 WeakPolarHBondContact O-CB 3.45Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 2.87Å; E34-K36 PolarHBondContact O-N 3.27Å |
| 35 | E | 56.2 | Low | 60.7 | Low | 74 Ų | 74 | 104.7 Ų | 104.7 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -67 | 124.4 | 163.3 | -76.8 | -141.5 | 115.2 | 0 | 0 | 112.9 | I33 D48 | I33-E35 PolarHBondContact O-N 3.15Å; I33-E35 VanDerWaalsContact O-N 3.17Å; E35-D48 VanDerWaalsContact CD-CG 3.48Å |
| 36 | K | 47.8 | Very low | 59.1 | Low | 195 Ų | 195 | 104.8 Ų | 104.8 | 85% | 0.848 | 52% | 0.517 | S | S | * | . | trans | 69.1 | 69 | 171.9 | -62.2 | -177.6 | 179.1 | 172.3 | 0 | 116.7 | E34 | E34-K36 PolarHBondContact O-N 3.27Š| ||
| 37 | K | 41 | Very low | 57.7 | Low | 154 Ų | 154 | 98.3 Ų | 98.3 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | trans | -101.4 | 105.2 | 139.6 | -73.9 | -173.9 | -178.5 | 175 | 0 | 110 | G39 | K37-G39 PolarHBondContact O-N 3.35Š| ||
| 38 | E | 39.8 | Very low | 57.2 | Low | 206 Ų | 206 | 99.2 Ų | 99.2 | 96% | 0.963 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 109.1 | 164.5 | -76.2 | -178 | 159.2 | 0 | 0 | 108.7 | ||
| 39 | G | 44.5 | Very low | 56.7 | Low | 82 Ų | 82 | 99.7 Ų | 99.7 | 85% | 0.845 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.3 | -12.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | K37 | K37-G39 PolarHBondContact O-N 3.35Š|
| 40 | E | 41.5 | Very low | 56.4 | Low | 113 Ų | 113 | 99.4 Ų | 99.4 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | trans | -102.2 | 123.9 | 175.5 | -74.9 | -176.3 | 175.1 | 0 | 0 | 111.4 | N42 | E40-N42 PolarHBondContact O-N 2.87Å; E40-N42 PolarHBondContact OE2-ND2 3.41Å | ||
| 41 | K | 38.6 | Very low | 56.4 | Low | 216 Ų | 216 | 97.6 Ų | 97.6 | 94% | 0.939 | 48% | 0.484 | S | S | * | . | trans | -72.5 | 62.2 | 169.4 | -72.2 | -176.5 | 177.1 | 179.4 | 0 | 110.2 | ||||
| 42 | N | 39.3 | Very low | 56.7 | Low | 115 Ų | 115 | 97 Ų | 97 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | trans | -86.7 | 146.2 | 168.8 | -70.1 | -26.6 | 0 | 0 | 0 | 109.6 | E40 K44 | E40-N42 PolarHBondContact O-N 2.87Å; E40-N42 PolarHBondContact OE2-ND2 3.41Å; N42-K44 PolarHBondContact O-N 2.87Å | ||
| 43 | K | 45.1 | Very low | 57.3 | Low | 196 Ų | 196 | 97.1 Ų | 97.1 | 85% | 0.852 | 48% | 0.482 | S | S | * | . | trans | -52.3 | 109.2 | -174.1 | -71.4 | 177.4 | 176.9 | 179 | 0 | 108.8 | F45 | K43-F45 PolarHBondContact O-N 2.85Å; K43-F45 VanDerWaalsContact O-N 3.07Å | ||
| 44 | K | 44.2 | Very low | 58.3 | Low | 189 Ų | 189 | 93.9 Ų | 93.9 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | trans | -58.7 | 113.8 | 168.2 | -70.7 | -178.4 | 175.2 | -173.4 | 0 | 106.4 | N42 A46 | N42-K44 PolarHBondContact O-N 2.87Å; K44-A46 PolarHBondContact O-N 3.19Å | ||
| 45 | F | 47.9 | Very low | 59.8 | Low | 72 Ų | 72 | 88.4 Ų | 88.4 | 32% | 0.316 | 44% | 0.44 | S | S | . | . | trans | -58.7 | 129.9 | 152.3 | -67.7 | -88.1 | 0 | 0 | 0 | 105.7 | L31 K43 V47 N112 | L31-F45 HydrophobicContact CD2-CE1 4.47Å; L31-F45 HydrophobicContact CD2-CE2 3.75Å; L31-F45 HydrophobicContact CD2-CZ 3.69Å; K43-F45 PolarHBondContact O-N 2.85Å; K43-F45 VanDerWaalsContact O-N 3.07Å; F45-V47 WeakPolarHBondContact CB-O 3.49Å; F45-V47 PolarHBondContact O-N 3.18Å; F45-N112 HydrophobicContact CD1-CB 4.29Å; F45-N112 VanDerWaalsContact CD1-ND2 3.26Å; F45-N112 WeakPolarHBondContact CD1-ND2 3.47Å; F45-N112 HydrophobicContact CE1-CB 4.06Å | ||
| 46 | A | 49.8 | Very low | 61.5 | Low | 65 Ų | 65 | 85 Ų | 85 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -61.1 | -19.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | K44 D87 | K44-A46 PolarHBondContact O-N 3.19Å; A46-D87 WeakPolarHBondContact CB-OD1 3.2Å; A46-D87 PolarHBondContact N-OD1 3.18Å |
| 47 | V | 54.1 | Low | 63.8 | Low | 22 Ų | 22 | 75.8 Ų | 75.8 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -106.3 | 122.6 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | F45 F49 F84 V110 | F45-V47 WeakPolarHBondContact CB-O 3.49Å; F45-V47 PolarHBondContact O-N 3.18Å; V47-F49 PolarHBondContact O-N 3Å; V47-F84 HydrophobicContact CB-CD1 4.19Å; V47-F84 HydrophobicContact CG1-CD1 3.31Å; V47-F84 HydrophobicContact CG1-CE1 3.4Å; V47-F84 HydrophobicContact CG1-CG 4.47Å; V47-F84 HydrophobicContact CG2-CB 4.22Å; V47-F84 HydrophobicContact CG2-CD1 3.76Å; V47-F84 HydrophobicContact CG2-CG 4.41Å; V47-V110 HydrophobicContact CG1-CG1 4.35Å |
| 48 | D | 69.4 | Low | 66.4 | Low | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | trans | -64.9 | 124.3 | 168.4 | 178.1 | -2.3 | 0 | 0 | 0 | 108.9 | E35 K50 T51 L52 | E35-D48 VanDerWaalsContact CD-CG 3.48Å; D48-K50 PolarHBondContact O-N 3.42Å; D48-K50 WeakPolarHBondContact OD1-CB 3.18Å; D48-K50 PolarHBondContact OD1-N 3.46Å; D48-T51 WeakPolarHBondContact O-CA 3.43Å; D48-T51 WeakPolarHBondContact O-CB 3.21Å; D48-T51 PolarHBondContact O-N 3.09Å; D48-L52 PolarHBondContact O-N 3.46Å; D48-L52 VanDerWaalsContact O-N 3.08Å | ||
| 49 | F | 74.4 | Confident | 69 | Low | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -25.9 | -179.8 | -173.2 | -97.3 | 0 | 0 | 0 | 111.8 | C22 L28 L31 L32 V47 L52 A53 L111 L121 | C22-F49 HydrophobicContact CB-CE1 4.23Å; L28-F49 HydrophobicContact CB-CZ 4.17Å; L28-F49 HydrophobicContact CD2-CZ 4.2Å; L31-F49 HydrophobicContact CB-CB 4.19Å; L31-F49 HydrophobicContact CB-CD1 4.09Å; L31-F49 HydrophobicContact CB-CD2 3.45Å; L31-F49 VanDerWaalsContact CB-CD2 3.45Å; L31-F49 HydrophobicContact CB-CE1 4.35Å; L31-F49 HydrophobicContact CB-CE2 3.76Å; L31-F49 HydrophobicContact CB-CG 3.64Å; L31-F49 HydrophobicContact CB-CZ 4.2Å; L31-F49 HydrophobicContact CD1-CD2 3.84Å; L31-F49 HydrophobicContact CD1-CE2 3.59Å; L31-F49 HydrophobicContact CD1-CZ 4.4Å; L31-F49 HydrophobicContact CG-CD2 4.26Å; L31-F49 HydrophobicContact CG-CE2 4.34Å; L31-F49 WeakPolarHBondContact O-CB 3.3Å; L32-F49 HydrophobicContact CB-CD1 3.86Å; L32-F49 HydrophobicContact CB-CE1 4.04Å; L32-F49 HydrophobicContact CD1-CD1 3.71Å; L32-F49 HydrophobicContact CD1-CE1 4.08Å; L32-F49 HydrophobicContact CG-CD1 4.42Å; V47-F49 PolarHBondContact O-N 3Å; F49-L52 HydrophobicContact CD2-CD2 4.02Å; F49-L52 HydrophobicContact CE2-CD2 4.05Å; F49-L52 WeakPolarHBondContact O-CB 3.41Å; F49-L52 PolarHBondContact O-N 2.82Å; F49-A53 PolarHBondContact O-N 3.49Å; F49-L111 HydrophobicContact CD2-CD2 4.02Å; F49-L111 HydrophobicContact CE2-CD2 4.21Å; F49-L121 HydrophobicContact CE2-CD1 4.38Å |
| 50 | K | 77.4 | Confident | 71.4 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.5 | -55 | 168.2 | -177.6 | -143.8 | 143.8 | -176.4 | 0 | 110.4 | D48 L52 A53 D54 T158 I162 | D48-K50 PolarHBondContact O-N 3.42Å; D48-K50 WeakPolarHBondContact OD1-CB 3.18Å; D48-K50 PolarHBondContact OD1-N 3.46Å; K50-L52 PolarHBondContact O-N 3.06Å; K50-A53 PolarHBondContact O-N 3.28Å; K50-D54 WeakPolarHBondContact CE-OD2 3.41Å; K50-D54 PolarHBondContact O-N 3.45Å; K50-T158 HydrophobicContact CD-CG2 3.49Å; K50-T158 VanDerWaalsContact CD-CG2 3.49Å; K50-T158 HydrophobicContact CG-CG2 3.32Å; K50-I162 HydrophobicContact CB-CD1 4.26Å; K50-I162 HydrophobicContact CG-CD1 4.36Å |
| 51 | T | 82.1 | Confident | 74 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 177.4 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | D48 V55 F84 | D48-T51 WeakPolarHBondContact O-CA 3.43Å; D48-T51 WeakPolarHBondContact O-CB 3.21Å; D48-T51 PolarHBondContact O-N 3.09Å; T51-V55 HydrophobicContact CG2-CG2 4.12Å; T51-V55 WeakPolarHBondContact O-CB 3.49Å; T51-V55 WeakPolarHBondContact O-CG2 3.22Å; T51-V55 PolarHBondContact O-N 3.38Å; T51-F84 HydrophobicContact CG2-CE1 4.03Å |
| 52 | L | 87.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.5 | 178.9 | 60.8 | 0 | 0 | 0 | 112.6 | D48 F49 K50 L56 F84 L94 L107 V110 L111 L121 | D48-L52 PolarHBondContact O-N 3.46Å; D48-L52 VanDerWaalsContact O-N 3.08Å; F49-L52 HydrophobicContact CD2-CD2 4.02Å; F49-L52 HydrophobicContact CE2-CD2 4.05Å; F49-L52 WeakPolarHBondContact O-CB 3.41Å; F49-L52 PolarHBondContact O-N 2.82Å; K50-L52 PolarHBondContact O-N 3.06Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.43Å; L52-F84 HydrophobicContact CB-CE1 4.49Å; L52-F84 HydrophobicContact CB-CZ 4.45Å; L52-F84 HydrophobicContact CD1-CE2 4.24Å; L52-F84 HydrophobicContact CD1-CZ 3.92Å; L52-L94 HydrophobicContact CD1-CD2 3.72Å; L52-L107 HydrophobicContact CD1-CD2 4.19Å; L52-V110 HydrophobicContact CD1-CG1 3.97Å; L52-V110 HydrophobicContact CD2-CG1 4.46Å; L52-L111 HydrophobicContact CD2-CD1 4.08Å; L52-L111 HydrophobicContact CD2-CD2 3.42Å; L52-L111 VanDerWaalsContact CD2-CD2 3.42Å; L52-L111 HydrophobicContact CD2-CG 3.79Å; L52-L121 HydrophobicContact CD2-CD1 4.28Å |
| 53 | A | 90.1 | Very high | 79.2 | Confident | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F49 K50 L56 V57 I155 | F49-A53 PolarHBondContact O-N 3.49Å; K50-A53 PolarHBondContact O-N 3.28Å; A53-L56 PolarHBondContact O-N 2.99Å; A53-V57 WeakPolarHBondContact O-CB 3.44Å; A53-V57 WeakPolarHBondContact O-CG2 3.47Å; A53-V57 PolarHBondContact O-N 3.07Å; A53-I155 HydrophobicContact CB-CD1 4.09Å |
| 54 | D | 91.4 | Very high | 81.6 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -49.9 | 178.7 | -68.9 | -39.2 | 0 | 0 | 0 | 111.4 | K50 L56 V57 Q58 E80 P154 I155 | K50-D54 WeakPolarHBondContact CE-OD2 3.41Å; K50-D54 PolarHBondContact O-N 3.45Å; D54-L56 PolarHBondContact O-N 2.79Å; D54-V57 PolarHBondContact O-N 2.99Å; D54-Q58 WeakPolarHBondContact O-CB 3.39Å; D54-Q58 PolarHBondContact O-N 3.38Å; D54-E80 HydrophobicContact CB-CG 3.69Å; D54-P154 HydrophobicContact CB-CB 4.38Å; D54-P154 HydrophobicContact CB-CG 3.79Å; D54-P154 VanDerWaalsContact O-CB 3.23Å; D54-P154 WeakPolarHBondContact O-CB 3.49Å; D54-I155 WeakPolarHBondContact OD1-CB 3.23Å; D54-I155 VanDerWaalsContact OD1-CG1 3.32Å; D54-I155 WeakPolarHBondContact OD1-CG1 3.4Å |
| 55 | V | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | T51 Q58 E59 E80 S81 N82 F84 L94 | T51-V55 HydrophobicContact CG2-CG2 4.12Å; T51-V55 WeakPolarHBondContact O-CB 3.49Å; T51-V55 WeakPolarHBondContact O-CG2 3.22Å; T51-V55 PolarHBondContact O-N 3.38Å; V55-Q58 PolarHBondContact O-N 2.98Å; V55-E59 HydrophobicContact CG1-CG 4.22Å; V55-E59 WeakPolarHBondContact O-CB 3.05Å; V55-E59 WeakPolarHBondContact O-CG 3.39Å; V55-E59 PolarHBondContact O-N 3.39Å; V55-E80 HydrophobicContact CG2-CB 3.71Å; V55-E80 HydrophobicContact CG2-CG 4.2Å; V55-S81 WeakPolarHBondContact CG2-O 3.3Å; V55-N82 HydrophobicContact CG1-CB 4.03Å; V55-F84 HydrophobicContact CB-CE2 3.99Å; V55-F84 HydrophobicContact CB-CZ 3.63Å; V55-F84 HydrophobicContact CG1-CE2 3.65Å; V55-F84 HydrophobicContact CG1-CZ 3.85Å; V55-F84 HydrophobicContact CG2-CE1 4.37Å; V55-F84 HydrophobicContact CG2-CE2 4.18Å; V55-F84 HydrophobicContact CG2-CZ 3.59Å; V55-L94 HydrophobicContact CG1-CB 4.4Å; V55-L94 HydrophobicContact CG1-CD2 3.97Å |
| 56 | L | 93.6 | Very high | 86.1 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | -179.2 | -174.7 | 62.3 | 0 | 0 | 0 | 111 | I18 L52 A53 D54 Q58 E59 V60 L94 L107 L121 V125 | I18-L56 HydrophobicContact CG2-CD2 4.25Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.43Å; A53-L56 PolarHBondContact O-N 2.99Å; D54-L56 PolarHBondContact O-N 2.79Å; L56-Q58 VanDerWaalsContact C-N 3.34Å; L56-Q58 PolarHBondContact O-N 3.07Å; L56-E59 PolarHBondContact O-N 2.93Å; L56-V60 WeakPolarHBondContact O-CB 3.4Å; L56-V60 WeakPolarHBondContact O-CG2 3.23Å; L56-V60 PolarHBondContact O-N 3.41Å; L56-L94 HydrophobicContact CB-CD2 4.29Å; L56-L94 HydrophobicContact CD1-CD2 4.12Å; L56-L107 HydrophobicContact CD1-CD2 4.4Å; L56-L121 HydrophobicContact CD2-CB 4.25Å; L56-L121 HydrophobicContact CD2-CD1 4.29Å; L56-L121 HydrophobicContact CD2-CD2 3.92Å; L56-L121 HydrophobicContact CD2-CG 4.38Å; L56-V125 HydrophobicContact CD1-CG1 3.94Å; L56-V125 HydrophobicContact CD2-CG1 3.72Å; L56-V125 HydrophobicContact CG-CG1 3.81Å |
| 57 | V | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 174.5 | 164.8 | 0 | 0 | 0 | 0 | 110.9 | A15 I18 A53 D54 E59 V60 I61 P154 | A15-V57 HydrophobicContact CB-CB 4.45Å; A15-V57 HydrophobicContact CB-CG1 3.52Å; A15-V57 HydrophobicContact CB-CG2 4.31Å; I18-V57 HydrophobicContact CB-CG2 4.15Å; I18-V57 HydrophobicContact CD1-CG2 4.32Å; I18-V57 HydrophobicContact CG2-CG2 4.03Å; A53-V57 WeakPolarHBondContact O-CB 3.44Å; A53-V57 WeakPolarHBondContact O-CG2 3.47Å; A53-V57 PolarHBondContact O-N 3.07Å; D54-V57 PolarHBondContact O-N 2.99Å; V57-E59 PolarHBondContact O-N 3.38Å; V57-V60 PolarHBondContact O-N 2.87Å; V57-I61 HydrophobicContact CG1-CD1 3.92Å; V57-I61 WeakPolarHBondContact O-CG1 3.49Å; V57-I61 PolarHBondContact O-N 3.49Å; V57-I61 VanDerWaalsContact O-N 3.08Å; V57-P154 HydrophobicContact CB-CB 3.82Å; V57-P154 HydrophobicContact CG1-CB 3.55Å |
| 58 | Q | 95.3 | Very high | 90 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 179.6 | -168.1 | 179.6 | -76.4 | 0 | 0 | 112.1 | D54 V55 L56 I61 K62 G78 E80 V152 P154 | D54-Q58 WeakPolarHBondContact O-CB 3.39Å; D54-Q58 PolarHBondContact O-N 3.38Å; V55-Q58 PolarHBondContact O-N 2.98Å; L56-Q58 VanDerWaalsContact C-N 3.34Å; L56-Q58 PolarHBondContact O-N 3.07Å; Q58-I61 PolarHBondContact O-N 3.23Å; Q58-K62 WeakPolarHBondContact O-CB 3.23Å; Q58-K62 PolarHBondContact O-N 2.75Å; Q58-G78 VanDerWaalsContact OE1-C 3.32Å; Q58-G78 VanDerWaalsContact OE1-CA 3.27Å; Q58-E80 PolarHBondContact NE2-O 2.92Å; Q58-V152 HydrophobicContact CG-CG1 4.42Å; Q58-P154 HydrophobicContact CB-CB 4.4Å |
| 59 | E | 95.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | 179.1 | -73.3 | -64.5 | 116.1 | 0 | 0 | 112.5 | V55 L56 V57 K62 Q63 N82 L96 | V55-E59 HydrophobicContact CG1-CG 4.22Å; V55-E59 WeakPolarHBondContact O-CB 3.05Å; V55-E59 WeakPolarHBondContact O-CG 3.39Å; V55-E59 PolarHBondContact O-N 3.39Å; L56-E59 PolarHBondContact O-N 2.93Å; V57-E59 PolarHBondContact O-N 3.38Å; E59-K62 PolarHBondContact O-N 2.99Å; E59-Q63 WeakPolarHBondContact O-CB 3.07Å; E59-Q63 WeakPolarHBondContact O-CG 3.46Å; E59-Q63 PolarHBondContact O-N 3.14Å; E59-N82 HydrophobicContact CG-CB 3.74Å; E59-N82 WeakPolarHBondContact OE1-CB 3.4Å; E59-N82 PolarHBondContact OE1-ND2 3.46Å; E59-N82 PolarHBondContact OE2-ND2 3.14Å; E59-N82 VanDerWaalsContact OE2-ND2 3.15Å; E59-L96 HydrophobicContact CB-CD1 4.23Å |
| 60 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 171.9 | 168.9 | 0 | 0 | 0 | 0 | 110.2 | K14 I18 L56 V57 K62 N64 L96 V125 | K14-V60 HydrophobicContact CB-CG1 4.42Å; K14-V60 HydrophobicContact CD-CG1 3.73Å; K14-V60 HydrophobicContact CG-CG1 3.97Å; I18-V60 HydrophobicContact CD1-CB 4.28Å; I18-V60 HydrophobicContact CD1-CG1 4.34Å; I18-V60 HydrophobicContact CD1-CG2 3.66Å; L56-V60 WeakPolarHBondContact O-CB 3.4Å; L56-V60 WeakPolarHBondContact O-CG2 3.23Å; L56-V60 PolarHBondContact O-N 3.41Å; V57-V60 PolarHBondContact O-N 2.87Å; V60-K62 PolarHBondContact O-N 3.42Å; V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.47Å; V60-N64 PolarHBondContact O-N 3.24Å; V60-N64 PolarHBondContact O-OD1 2.91Å; V60-N64 VanDerWaalsContact O-OD1 3.1Å; V60-L96 HydrophobicContact CB-CD1 4.43Å; V60-L96 HydrophobicContact CG2-CD1 3.82Å; V60-L96 HydrophobicContact CG2-CD2 3.97Å; V60-L96 HydrophobicContact CG2-CG 4.32Å; V60-V125 HydrophobicContact CG2-CB 3.98Å; V60-V125 HydrophobicContact CG2-CG1 3.87Å |
| 61 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 178.6 | -68 | 164.3 | 0 | 0 | 0 | 109.7 | V11 A15 V57 Q58 Q63 M65 V152 I184 I186 | V11-I61 HydrophobicContact CB-CG1 4.31Å; V11-I61 HydrophobicContact CG2-CB 4.46Å; V11-I61 HydrophobicContact CG2-CG1 4.15Å; V11-I61 HydrophobicContact CG2-CG2 4.13Å; A15-I61 HydrophobicContact CB-CD1 4.24Å; A15-I61 HydrophobicContact CB-CG1 4.49Å; V57-I61 HydrophobicContact CG1-CD1 3.92Å; V57-I61 WeakPolarHBondContact O-CG1 3.49Å; V57-I61 PolarHBondContact O-N 3.49Å; V57-I61 VanDerWaalsContact O-N 3.08Å; Q58-I61 PolarHBondContact O-N 3.23Å; I61-Q63 PolarHBondContact O-N 3.5Å; I61-M65 HydrophobicContact CG2-CG 4.5Å; I61-M65 WeakPolarHBondContact O-CB 3.45Å; I61-M65 WeakPolarHBondContact O-CG 3.16Å; I61-M65 PolarHBondContact O-N 3.29Å; I61-M65 VanDerWaalsContact O-N 3.08Å; I61-V152 HydrophobicContact CD1-CG1 3.74Å; I61-V152 HydrophobicContact CG2-CG2 4.1Å; I61-I184 HydrophobicContact CD1-CG2 4.43Å; I61-I186 HydrophobicContact CD1-CD1 3.83Å; I61-I186 HydrophobicContact CD1-CG1 4.17Å; I61-I186 HydrophobicContact CG1-CD1 4.22Å; I61-I186 HydrophobicContact CG2-CD1 4.2Å |
| 62 | K | 95.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -50.5 | -177.5 | -176.6 | 176.7 | 178.5 | 178.5 | 0 | 112.5 | Q58 E59 V60 M65 E66 I76 | Q58-K62 WeakPolarHBondContact O-CB 3.23Å; Q58-K62 PolarHBondContact O-N 2.75Å; E59-K62 PolarHBondContact O-N 2.99Å; V60-K62 PolarHBondContact O-N 3.42Å; K62-M65 PolarHBondContact O-N 2.91Å; K62-E66 WeakPolarHBondContact O-CB 3.49Å; K62-E66 PolarHBondContact O-N 3.43Å; K62-I76 HydrophobicContact CB-CG2 4.33Å; K62-I76 HydrophobicContact CG-CB 4.42Å; K62-I76 HydrophobicContact CG-CD1 4.32Å; K62-I76 HydrophobicContact CG-CG2 4.41Å |
| 63 | Q | 93.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.2 | -37.3 | -174.9 | -68.5 | -171.9 | 2.9 | 0 | 0 | 113.1 | E59 I61 M65 E66 N67 R95 L96 | E59-Q63 WeakPolarHBondContact O-CB 3.07Å; E59-Q63 WeakPolarHBondContact O-CG 3.46Å; E59-Q63 PolarHBondContact O-N 3.14Å; I61-Q63 PolarHBondContact O-N 3.5Å; Q63-M65 VanDerWaalsContact C-N 3.29Å; Q63-M65 PolarHBondContact O-N 2.84Å; Q63-E66 PolarHBondContact O-N 3.02Å; Q63-N67 WeakPolarHBondContact O-CB 3.34Å; Q63-N67 PolarHBondContact O-N 3.25Å; Q63-N67 PolarHBondContact O-ND2 3.09Å; Q63-R95 VanDerWaalsContact NE2-CA 3.25Å; Q63-L96 VanDerWaalsContact NE2-N 3.13Å; Q63-L96 PolarHBondContact OE1-O 3.42Å |
| 64 | N | 93.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 19% | 0.193 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 173.7 | -86.6 | 95.5 | 0 | 0 | 0 | 111.1 | V11 K14 V60 K68 | V11-N64 HydrophobicContact CB-CB 4.49Å; V11-N64 HydrophobicContact CG1-CB 3.36Å; K14-N64 PolarHBondContact NZ-OD1 3.17Å; K14-N64 VanDerWaalsContact NZ-OD1 3.15Å; V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.47Å; V60-N64 PolarHBondContact O-N 3.24Å; V60-N64 PolarHBondContact O-OD1 2.91Å; V60-N64 VanDerWaalsContact O-OD1 3.1Å; N64-K68 PolarHBondContact O-N 3.04Å |
| 65 | M | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.3 | -66.7 | -56.8 | -66.9 | 0 | 0 | 112.4 | I4 E7 L8 V11 I61 K62 Q63 K68 F69 L72 I76 I150 | I4-M65 HydrophobicContact CG2-CE 3.89Å; E7-M65 HydrophobicContact CB-CE 4.46Å; E7-M65 HydrophobicContact CB-SD 3.85Å; E7-M65 HydrophobicContact CG-SD 3.49Å; E7-M65 WeakPolarHBondContact CG-SD 3.36Å; L8-M65 HydrophobicContact CD2-CE 3.81Å; L8-M65 HydrophobicContact CD2-CG 4.25Å; L8-M65 HydrophobicContact CD2-SD 3.78Å; L8-M65 HydrophobicContact CG-CE 3.97Å; L8-M65 HydrophobicContact CG-SD 4.22Å; V11-M65 HydrophobicContact CG2-SD 4.43Å; I61-M65 HydrophobicContact CG2-CG 4.5Å; I61-M65 WeakPolarHBondContact O-CB 3.45Å; I61-M65 WeakPolarHBondContact O-CG 3.16Å; I61-M65 PolarHBondContact O-N 3.29Å; I61-M65 VanDerWaalsContact O-N 3.08Å; K62-M65 PolarHBondContact O-N 2.91Å; Q63-M65 VanDerWaalsContact C-N 3.29Å; Q63-M65 PolarHBondContact O-N 2.84Å; M65-K68 PolarHBondContact O-N 3.25Å; M65-F69 HydrophobicContact CE-CD2 3.75Å; M65-F69 HydrophobicContact CE-CE2 3.99Å; M65-F69 WeakPolarHBondContact O-CA 3.4Å; M65-F69 WeakPolarHBondContact O-CB 3.11Å; M65-F69 PolarHBondContact O-N 3.29Å; M65-F69 HydrophobicContact SD-CD2 4.48Å; M65-L72 HydrophobicContact CE-CD2 3.79Å; M65-I76 HydrophobicContact CB-CD1 3.63Å; M65-I76 HydrophobicContact CG-CD1 4.31Å; M65-I150 HydrophobicContact CE-CD1 4.33Å |
| 66 | E | 93.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 174.8 | -179.8 | 176.5 | 171.2 | 0 | 0 | 111.9 | K62 Q63 K68 F69 E73 | K62-E66 WeakPolarHBondContact O-CB 3.49Å; K62-E66 PolarHBondContact O-N 3.43Å; Q63-E66 PolarHBondContact O-N 3.02Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.31Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 3.44Å; E66-E73 HydrophobicContact CB-CB 3.86Å; E66-E73 HydrophobicContact CG-CB 3.77Å; E66-E73 HydrophobicContact CG-CG 4.04Å |
| 67 | N | 92.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 44.4 Ų | 44.4 | 68% | 0.684 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.8 | -34.8 | -177.2 | -73.5 | -23 | 0 | 0 | 0 | 112.3 | Q63 | Q63-N67 WeakPolarHBondContact O-CB 3.34Å; Q63-N67 PolarHBondContact O-N 3.25Å; Q63-N67 PolarHBondContact O-ND2 3.09Å |
| 68 | K | 93.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -91.8 | -30.7 | -177.7 | -160.8 | 173.2 | -170.9 | -178.6 | 0 | 113.4 | E7 N64 M65 E66 | E7-K68 HydrophobicContact CB-CD 4.04Å; E7-K68 VanDerWaalsContact CD-CD 3.44Å; E7-K68 HydrophobicContact CG-CD 3.7Å; E7-K68 WeakPolarHBondContact OE2-CD 3.5Å; E7-K68 WeakPolarHBondContact OE2-CE 3.4Å; E7-K68 IonicContact OE2-NZ 3.68Å; E7-K68 PolarHBondContact OE2-NZ 3.3Å; N64-K68 PolarHBondContact O-N 3.04Å; M65-K68 PolarHBondContact O-N 3.25Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.31Å |
| 69 | F | 94.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -130.7 | 75.1 | -177.5 | -56.2 | -74.6 | 0 | 0 | 0 | 110.5 | D3 I4 E7 M65 E66 G71 L72 | D3-F69 HydrophobicContact CB-CE1 4.15Å; D3-F69 HydrophobicContact CB-CZ 3.94Å; I4-F69 HydrophobicContact CB-CZ 4.41Å; I4-F69 HydrophobicContact CG1-CD1 3.9Å; I4-F69 HydrophobicContact CG1-CD2 4.22Å; I4-F69 HydrophobicContact CG1-CE1 3.7Å; I4-F69 HydrophobicContact CG1-CE2 4.03Å; I4-F69 HydrophobicContact CG1-CG 4.16Å; I4-F69 HydrophobicContact CG1-CZ 3.78Å; E7-F69 HydrophobicContact CB-CE2 3.73Å; E7-F69 HydrophobicContact CB-CZ 4.43Å; E7-F69 HydrophobicContact CG-CE2 4.1Å; M65-F69 HydrophobicContact CE-CD2 3.75Å; M65-F69 HydrophobicContact CE-CE2 3.99Å; M65-F69 WeakPolarHBondContact O-CA 3.4Å; M65-F69 WeakPolarHBondContact O-CB 3.11Å; M65-F69 PolarHBondContact O-N 3.29Å; M65-F69 HydrophobicContact SD-CD2 4.48Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 3.44Å; F69-G71 PolarHBondContact O-N 3.44Å; F69-L72 HydrophobicContact CB-CB 4.25Å; F69-L72 HydrophobicContact CB-CD2 4.09Å; F69-L72 VanDerWaalsContact O-CB 3.26Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 3.03Å; F69-L72 VanDerWaalsContact O-N 3.15Å |
| 70 | P | 93.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 52.2 Ų | 52.2 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.3 | -177.9 | -26.9 | 35.1 | 0 | 0 | 0 | 112.4 | Q145 | P70-Q145 PolarHBondContact O-NE2 2.87Š|
| 71 | G | 89.7 | Confident | 92.1 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -18.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F69 E73 | F69-G71 PolarHBondContact O-N 3.44Å; G71-E73 VanDerWaalsContact C-N 3.31Å; G71-E73 WeakPolarHBondContact CA-OE2 3.33Å; G71-E73 PolarHBondContact N-OE2 2.94Å |
| 72 | L | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -73.1 | -24 | 179.8 | -164.6 | 62.5 | 0 | 0 | 0 | 112.3 | M65 F69 K74 N75 I76 Q145 L148 I150 | M65-L72 HydrophobicContact CE-CD2 3.79Å; F69-L72 HydrophobicContact CB-CB 4.25Å; F69-L72 HydrophobicContact CB-CD2 4.09Å; F69-L72 VanDerWaalsContact O-CB 3.26Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 3.03Å; F69-L72 VanDerWaalsContact O-N 3.15Å; L72-K74 PolarHBondContact O-N 3.37Å; L72-N75 PolarHBondContact O-N 3.07Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 2.98Å; L72-Q145 HydrophobicContact CB-CG 4.41Å; L72-Q145 HydrophobicContact CD1-CG 3.87Å; L72-L148 HydrophobicContact CD1-CB 4.11Å; L72-I150 HydrophobicContact CD1-CD1 4.4Å; L72-I150 HydrophobicContact CD2-CD1 3.72Å; L72-I150 HydrophobicContact CG-CD1 4.09Å |
| 73 | E | 86.9 | Confident | 91.6 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.8 | -27.4 | -176.7 | 71.5 | -72.1 | 164.3 | 0 | 0 | 114 | E66 G71 N75 | E66-E73 HydrophobicContact CB-CB 3.86Å; E66-E73 HydrophobicContact CG-CB 3.77Å; E66-E73 HydrophobicContact CG-CG 4.04Å; G71-E73 VanDerWaalsContact C-N 3.31Å; G71-E73 WeakPolarHBondContact CA-OE2 3.33Å; G71-E73 PolarHBondContact N-OE2 2.94Å; E73-N75 PolarHBondContact O-N 3.32Å |
| 74 | K | 90.4 | Very high | 91.3 | Very high | 153 Ų | 153 | 58.9 Ų | 58.9 | 67% | 0.665 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -74 | -19.4 | 179.1 | -61.4 | 174.5 | -171.7 | 170.1 | 0 | 112.6 | L72 F77 | L72-K74 PolarHBondContact O-N 3.37Å; K74-F77 WeakPolarHBondContact O-CZ 3.17Å |
| 75 | N | 94.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -114 | 11 | -174.8 | -62.1 | -17 | 0 | 0 | 0 | 112.2 | L72 E73 F77 L148 I150 I191 | L72-N75 PolarHBondContact O-N 3.07Å; E73-N75 PolarHBondContact O-N 3.32Å; N75-F77 HydrophobicContact CB-CE2 4.45Å; N75-F77 WeakPolarHBondContact O-CD2 3.42Å; N75-F77 WeakPolarHBondContact O-CE2 3.43Å; N75-L148 VanDerWaalsContact CB-O 3.3Å; N75-L148 WeakPolarHBondContact CB-O 3.37Å; N75-L148 PolarHBondContact ND2-O 3.32Å; N75-I150 PolarHBondContact O-N 3.48Å; N75-I191 HydrophobicContact CB-CD1 4.1Å; N75-I191 VanDerWaalsContact ND2-CD1 3.34Å; N75-I191 WeakPolarHBondContact ND2-CD1 3.35Å |
| 76 | I | 95.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.8 | 172.1 | -58.1 | 173 | 0 | 0 | 0 | 108.3 | K62 M65 L72 I150 V152 | K62-I76 HydrophobicContact CB-CG2 4.33Å; K62-I76 HydrophobicContact CG-CB 4.42Å; K62-I76 HydrophobicContact CG-CD1 4.32Å; K62-I76 HydrophobicContact CG-CG2 4.41Å; M65-I76 HydrophobicContact CB-CD1 3.63Å; M65-I76 HydrophobicContact CG-CD1 4.31Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 2.98Å; I76-I150 HydrophobicContact CB-CB 4.49Å; I76-I150 HydrophobicContact CG1-CB 4.07Å; I76-I150 HydrophobicContact CG1-CD1 4.11Å; I76-I150 HydrophobicContact CG1-CG1 4.42Å; I76-I150 HydrophobicContact CG2-CB 4.5Å; I76-I150 HydrophobicContact CG2-CG2 4.41Å; I76-V152 HydrophobicContact CG2-CG2 4.07Å |
| 77 | F | 94.3 | Very high | 88.8 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 149.3 | 179.7 | -51.8 | -78.2 | 0 | 0 | 0 | 109.6 | K74 N75 I150 W151 V152 | K74-F77 WeakPolarHBondContact O-CZ 3.17Å; N75-F77 HydrophobicContact CB-CE2 4.45Å; N75-F77 WeakPolarHBondContact O-CD2 3.42Å; N75-F77 WeakPolarHBondContact O-CE2 3.43Å; F77-I150 PolarHBondContact N-O 3.39Å; F77-W151 CarbonylContact O-C 3.56Å; F77-W151 VanDerWaalsContact O-CA 3.31Å; F77-W151 WeakPolarHBondContact O-CA 3.4Å; F77-V152 PolarHBondContact O-N 3.14Å |
| 78 | G | 90 | Very high | 88 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | -176.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q58 E80 V152 | Q58-G78 VanDerWaalsContact OE1-C 3.32Å; Q58-G78 VanDerWaalsContact OE1-CA 3.27Å; G78-E80 VanDerWaalsContact C-N 3.34Å; G78-V152 VanDerWaalsContact CA-O 3.25Å; G78-V152 WeakPolarHBondContact CA-O 3.47Å |
| 79 | E | 86.1 | Confident | 87.4 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -67.1 | -34.8 | -177.4 | -177.9 | 174.2 | -175.8 | 0 | 0 | 112.5 | ||
| 80 | E | 88.4 | Confident | 86.9 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | trans | -101.3 | 149.4 | -161.5 | -65.2 | -61.4 | 158.2 | 0 | 0 | 114.3 | D54 V55 Q58 G78 P154 | D54-E80 HydrophobicContact CB-CG 3.69Å; V55-E80 HydrophobicContact CG2-CB 3.71Å; V55-E80 HydrophobicContact CG2-CG 4.2Å; Q58-E80 PolarHBondContact NE2-O 2.92Å; G78-E80 VanDerWaalsContact C-N 3.34Å; E80-P154 HydrophobicContact CG-CG 4.34Å | ||
| 81 | S | 89.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 70 Ų | 70 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -90.7 | 137.3 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | V55 E83 | V55-S81 WeakPolarHBondContact CG2-O 3.3Å; S81-E83 PolarHBondContact O-N 3.03Å; S81-E83 PolarHBondContact OG-N 3.37Å | ||
| 82 | N | 89.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -82.5 | 12.5 | 176.9 | 72.2 | -16.3 | 0 | 0 | 0 | 114.6 | V55 E59 T93 L94 | V55-N82 HydrophobicContact CG1-CB 4.03Å; E59-N82 HydrophobicContact CG-CB 3.74Å; E59-N82 WeakPolarHBondContact OE1-CB 3.4Å; E59-N82 PolarHBondContact OE1-ND2 3.46Å; E59-N82 PolarHBondContact OE2-ND2 3.14Å; E59-N82 VanDerWaalsContact OE2-ND2 3.15Å; N82-T93 CarbonylContact O-C 3.54Å; N82-T93 WeakPolarHBondContact O-CA 3.38Å; N82-L94 PolarHBondContact ND2-O 3.2Å; N82-L94 PolarHBondContact O-N 3.21Å |
| 83 | E | 91.1 | Very high | 86.8 | Confident | 108 Ų | 108 | 71.6 Ų | 71.6 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125 | 176.5 | -65.1 | -167 | 146.4 | 0 | 0 | 112 | S81 | S81-E83 PolarHBondContact O-N 3.03Å; S81-E83 PolarHBondContact OG-N 3.37Å |
| 84 | F | 85.8 | Confident | 87 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 154.1 | 171.4 | -66 | -83.6 | 0 | 0 | 0 | 110.7 | V47 T51 L52 V55 K91 I92 L94 V110 | V47-F84 HydrophobicContact CB-CD1 4.19Å; V47-F84 HydrophobicContact CG1-CD1 3.31Å; V47-F84 HydrophobicContact CG1-CE1 3.4Å; V47-F84 HydrophobicContact CG1-CG 4.47Å; V47-F84 HydrophobicContact CG2-CB 4.22Å; V47-F84 HydrophobicContact CG2-CD1 3.76Å; V47-F84 HydrophobicContact CG2-CG 4.41Å; T51-F84 HydrophobicContact CG2-CE1 4.03Å; L52-F84 HydrophobicContact CB-CE1 4.49Å; L52-F84 HydrophobicContact CB-CZ 4.45Å; L52-F84 HydrophobicContact CD1-CE2 4.24Å; L52-F84 HydrophobicContact CD1-CZ 3.92Å; V55-F84 HydrophobicContact CB-CE2 3.99Å; V55-F84 HydrophobicContact CB-CZ 3.63Å; V55-F84 HydrophobicContact CG1-CE2 3.65Å; V55-F84 HydrophobicContact CG1-CZ 3.85Å; V55-F84 HydrophobicContact CG2-CE1 4.37Å; V55-F84 HydrophobicContact CG2-CE2 4.18Å; V55-F84 HydrophobicContact CG2-CZ 3.59Å; F84-K91 CarbonylContact O-C 3.55Å; F84-K91 WeakPolarHBondContact O-CA 3.25Å; F84-I92 PolarHBondContact N-O 2.88Å; F84-I92 PolarHBondContact O-N 3.14Å; F84-L94 HydrophobicContact CD2-CB 3.91Å; F84-L94 HydrophobicContact CE2-CB 3.68Å; F84-L94 HydrophobicContact CE2-CD2 3.66Å; F84-L94 HydrophobicContact CE2-CG 4.28Å; F84-L94 HydrophobicContact CZ-CD2 4.34Å; F84-V110 HydrophobicContact CB-CG1 4.4Å; F84-V110 HydrophobicContact CD1-CG1 4.22Å; F84-V110 HydrophobicContact CD2-CG1 4.34Å; F84-V110 HydrophobicContact CD2-CG2 4.46Å; F84-V110 HydrophobicContact CG-CG1 4.05Å |
| 85 | T | 82.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.5 | 165.4 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | E90 | T85-E90 WeakPolarHBondContact CA-O 3.41Å |
| 86 | N | 75.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | trans | -78.7 | 176.8 | 180 | 71.3 | 11.6 | 0 | 0 | 0 | 112 | W88 G89 E90 I92 | N86-W88 PolarHBondContact O-N 3.07Å; N86-W88 WeakPolarHBondContact OD1-CA 3.34Å; N86-W88 WeakPolarHBondContact OD1-CB 3.42Å; N86-W88 PolarHBondContact OD1-N 2.89Å; N86-G89 PolarHBondContact O-N 2.88Å; N86-G89 PolarHBondContact OD1-N 3.41Å; N86-E90 PolarHBondContact N-O 2.96Å; N86-E90 PolarHBondContact ND2-OE2 2.9Å; N86-E90 WeakPolarHBondContact OD1-CB 3.39Å; N86-E90 PolarHBondContact OD1-N 2.81Å; N86-I92 HydrophobicContact CB-CD1 4.04Å | ||
| 87 | D | 72.4 | Confident | 86.8 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.4 | -179.1 | -65.4 | -0.9 | 0 | 0 | 0 | 113.6 | A46 N112 | A46-D87 WeakPolarHBondContact CB-OD1 3.2Å; A46-D87 PolarHBondContact N-OD1 3.18Å; D87-N112 VanDerWaalsContact CG-ND2 3.34Å; D87-N112 PolarHBondContact OD2-ND2 2.95Å |
| 88 | W | 75.8 | Confident | 86.7 | Confident | 224 Ų | 224 | 69.9 Ų | 69.9 | 85% | 0.848 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.1 | 179 | -53.5 | 98.6 | 0 | 0 | 0 | 113.2 | N86 E90 | N86-W88 PolarHBondContact O-N 3.07Å; N86-W88 WeakPolarHBondContact OD1-CA 3.34Å; N86-W88 WeakPolarHBondContact OD1-CB 3.42Å; N86-W88 PolarHBondContact OD1-N 2.89Å; W88-E90 VanDerWaalsContact C-N 3.27Å; W88-E90 PolarHBondContact O-N 2.87Å |
| 89 | G | 80.1 | Confident | 87 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 77.5 | 9.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N86 | N86-G89 PolarHBondContact O-N 2.88Å; N86-G89 PolarHBondContact OD1-N 3.41Å |
| 90 | E | 84.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | trans | -74.6 | 129.5 | 173.7 | -176 | -174 | -174.7 | 0 | 0 | 109.4 | T85 N86 W88 I92 | T85-E90 WeakPolarHBondContact CA-O 3.41Å; N86-E90 PolarHBondContact N-O 2.96Å; N86-E90 PolarHBondContact ND2-OE2 2.9Å; N86-E90 WeakPolarHBondContact OD1-CB 3.39Å; N86-E90 PolarHBondContact OD1-N 2.81Å; W88-E90 VanDerWaalsContact C-N 3.27Å; W88-E90 PolarHBondContact O-N 2.87Å; E90-I92 HydrophobicContact CG-CG1 4.29Å | ||
| 91 | K | 88.4 | Confident | 87.9 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 67% | 0.67 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.1 | 171.5 | -68.6 | -170.6 | 174.8 | -163.9 | 0 | 109.9 | F84 | F84-K91 CarbonylContact O-C 3.55Å; F84-K91 WeakPolarHBondContact O-CA 3.25Å |
| 92 | I | 89.6 | Confident | 88.2 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.2 | -179.4 | -56 | 168.1 | 0 | 0 | 0 | 107.8 | F84 N86 E90 L106 K109 V110 | F84-I92 PolarHBondContact N-O 2.88Å; F84-I92 PolarHBondContact O-N 3.14Å; N86-I92 HydrophobicContact CB-CD1 4.04Å; E90-I92 HydrophobicContact CG-CG1 4.29Å; I92-L106 HydrophobicContact CG2-CD1 3.61Å; I92-K109 HydrophobicContact CD1-CB 3.7Å; I92-V110 HydrophobicContact CB-CG2 4.36Å; I92-V110 HydrophobicContact CD1-CG2 4.07Å; I92-V110 HydrophobicContact CG2-CG2 3.82Å |
| 93 | T | 92.5 | Very high | 88.5 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 36% | 0.362 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.2 | 169.5 | -50.8 | 0 | 0 | 0 | 0 | 108.6 | N82 R95 | N82-T93 CarbonylContact O-C 3.54Å; N82-T93 WeakPolarHBondContact O-CA 3.38Å; T93-R95 HydrophobicContact CG2-CG 4.34Å |
| 94 | L | 91.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | -75.9 | 126.1 | 178.2 | -172.2 | 64.9 | 0 | 0 | 0 | 110 | L52 V55 L56 N82 F84 L106 L107 | L52-L94 HydrophobicContact CD1-CD2 3.72Å; V55-L94 HydrophobicContact CG1-CB 4.4Å; V55-L94 HydrophobicContact CG1-CD2 3.97Å; L56-L94 HydrophobicContact CB-CD2 4.29Å; L56-L94 HydrophobicContact CD1-CD2 4.12Å; N82-L94 PolarHBondContact ND2-O 3.2Å; N82-L94 PolarHBondContact O-N 3.21Å; F84-L94 HydrophobicContact CD2-CB 3.91Å; F84-L94 HydrophobicContact CE2-CB 3.68Å; F84-L94 HydrophobicContact CE2-CD2 3.66Å; F84-L94 HydrophobicContact CE2-CG 4.28Å; F84-L94 HydrophobicContact CZ-CD2 4.34Å; L94-L106 HydrophobicContact CD1-CD2 3.98Å; L94-L106 HydrophobicContact CD1-CG 4.18Å; L94-L107 HydrophobicContact CD1-CD2 3.8Å; L94-L107 HydrophobicContact CD1-CG 4.46Å | ||
| 95 | R | 91.9 | Very high | 89.2 | Confident | 133 Ų | 133 | 74 Ų | 74 | 50% | 0.502 | 38% | 0.378 | S | S | . | . | trans | -150.1 | 144.9 | 177.3 | -74.1 | -167 | -173.9 | -151.2 | 1.8 | 107.5 | Q63 T93 C97 L106 | Q63-R95 VanDerWaalsContact NE2-CA 3.25Å; T93-R95 HydrophobicContact CG2-CG 4.34Å; R95-C97 PolarHBondContact O-N 2.88Å; R95-L106 WeakPolarHBondContact O-CD2 3.26Å | ||
| 96 | L | 90.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | trans | -68.1 | 140 | 168.7 | -60.5 | 65.6 | 0 | 0 | 0 | 108.1 | E59 V60 Q63 V125 | E59-L96 HydrophobicContact CB-CD1 4.23Å; V60-L96 HydrophobicContact CB-CD1 4.43Å; V60-L96 HydrophobicContact CG2-CD1 3.82Å; V60-L96 HydrophobicContact CG2-CD2 3.97Å; V60-L96 HydrophobicContact CG2-CG 4.32Å; Q63-L96 VanDerWaalsContact NE2-N 3.13Å; Q63-L96 PolarHBondContact OE1-O 3.42Å; L96-V125 HydrophobicContact CD2-CB 4.16Å; L96-V125 HydrophobicContact CD2-CG2 4.32Å; L96-V125 HydrophobicContact CG-CG2 4.47Å | ||
| 97 | C | 93.7 | Very high | 90.6 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 28% | 0.284 | 36% | 0.361 | S | S | . | . | trans | -92.2 | 178 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 110 | R95 T99 E102 T103 H126 | R95-C97 PolarHBondContact O-N 2.88Å; C97-T99 PolarHBondContact O-N 3.13Å; C97-E102 HydrophobicContact CB-CB 3.27Å; C97-E102 HydrophobicContact CB-CG 4.37Å; C97-E102 WeakPolarHBondContact CB-OE2 3.21Å; C97-T103 PolarHBondContact N-OG1 3.38Å; C97-H126 PolarHBondContact O-CE1 2.67Å | ||
| 98 | S | 91.8 | Very high | 91.5 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 80% | 0.797 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -71.2 | -25.6 | -176 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | E102 | S98-E102 PolarHBondContact N-OE2 3.28Å; S98-E102 VanDerWaalsContact N-OE2 3.13Å |
| 99 | T | 95.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -124.3 | 160.6 | 178.1 | 87.6 | 0 | 0 | 0 | 0 | 112.8 | C97 E101 E102 T103 H126 | C97-T99 PolarHBondContact O-N 3.13Å; T99-E101 VanDerWaalsContact C-N 3.28Å; T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.3Å; T99-E101 PolarHBondContact O-N 3.15Å; T99-E101 PolarHBondContact OG1-N 3.36Å; T99-E101 PolarHBondContact OG1-OE2 2.87Å; T99-E102 PolarHBondContact N-OE2 3.42Å; T99-E102 PolarHBondContact OG1-N 2.9Å; T99-T103 PolarHBondContact O-N 3.46Å; T99-T103 VanDerWaalsContact O-N 3.15Å; T99-T103 PolarHBondContact O-OG1 3.16Å; T99-H126 PolarHBondContact O-NE2 3.01Å |
| 100 | E | 96.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 174.1 | -177.4 | 178 | 148.7 | 0 | 0 | 110.6 | T103 A104 A122 R123 H126 | E100-T103 PolarHBondContact O-N 3.08Å; E100-A104 WeakPolarHBondContact O-CB 3.44Å; E100-A104 PolarHBondContact O-N 2.7Å; E100-A122 HydrophobicContact CG-CB 3.87Å; E100-A122 WeakPolarHBondContact O-CB 2.75Å; E100-R123 WeakPolarHBondContact OE1-CB 3.42Å; E100-R123 IonicContact OE1-NE 3.08Å; E100-H126 HydrophobicContact CB-CB 4.36Å |
| 101 | E | 96.9 | Very high | 92.6 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 59% | 0.593 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.7 | -47.6 | -178.1 | -59.2 | 76.5 | -167.4 | 0 | 0 | 111.9 | T99 T103 A104 E105 | T99-E101 VanDerWaalsContact C-N 3.28Å; T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.3Å; T99-E101 PolarHBondContact O-N 3.15Å; T99-E101 PolarHBondContact OG1-N 3.36Å; T99-E101 PolarHBondContact OG1-OE2 2.87Å; E101-T103 VanDerWaalsContact C-N 3.25Å; E101-T103 PolarHBondContact O-N 3.08Å; E101-A104 WeakPolarHBondContact O-CB 3.32Å; E101-A104 PolarHBondContact O-N 3.39Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.08Å |
| 102 | E | 96.8 | Very high | 92.4 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 177.7 | -67.9 | 179.3 | 155.9 | 0 | 0 | 111.2 | C97 S98 T99 E105 L106 | C97-E102 HydrophobicContact CB-CB 3.27Å; C97-E102 HydrophobicContact CB-CG 4.37Å; C97-E102 WeakPolarHBondContact CB-OE2 3.21Å; S98-E102 PolarHBondContact N-OE2 3.28Å; S98-E102 VanDerWaalsContact N-OE2 3.13Å; T99-E102 PolarHBondContact N-OE2 3.42Å; T99-E102 PolarHBondContact OG1-N 2.9Å; E102-E105 PolarHBondContact O-N 3.42Å; E102-L106 PolarHBondContact O-N 3.48Å |
| 103 | T | 96.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.8 | -54 | 0 | 0 | 0 | 0 | 111.1 | C97 T99 E100 E101 E105 L106 L107 A122 V125 H126 | C97-T103 PolarHBondContact N-OG1 3.38Å; T99-T103 PolarHBondContact O-N 3.46Å; T99-T103 VanDerWaalsContact O-N 3.15Å; T99-T103 PolarHBondContact O-OG1 3.16Å; E100-T103 PolarHBondContact O-N 3.08Å; E101-T103 VanDerWaalsContact C-N 3.25Å; E101-T103 PolarHBondContact O-N 3.08Å; T103-E105 VanDerWaalsContact C-N 3.35Å; T103-L106 PolarHBondContact O-N 3.01Å; T103-L107 HydrophobicContact CG2-CD1 4.06Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.4Å; T103-L107 PolarHBondContact O-N 3.5Å; T103-A122 HydrophobicContact CG2-CB 4.38Å; T103-V125 HydrophobicContact CG2-CG2 3.88Å; T103-H126 PolarHBondContact OG1-NE2 2.98Å |
| 104 | A | 96.1 | Very high | 92 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E100 E101 S108 S118 E119 A122 | E100-A104 WeakPolarHBondContact O-CB 3.44Å; E100-A104 PolarHBondContact O-N 2.7Å; E101-A104 WeakPolarHBondContact O-CB 3.32Å; E101-A104 PolarHBondContact O-N 3.39Å; A104-S108 VanDerWaalsContact O-CB 3.25Å; A104-S108 WeakPolarHBondContact O-CB 3.46Å; A104-S108 PolarHBondContact O-N 2.93Å; A104-S118 VanDerWaalsContact O-CB 3.29Å; A104-S118 WeakPolarHBondContact O-CB 3.2Å; A104-E119 HydrophobicContact CB-CG 4.21Å; A104-A122 HydrophobicContact CB-CB 3.68Å |
| 105 | E | 95.7 | Very high | 92 | Very high | 138 Ų | 138 | 60.2 Ų | 60.2 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175.2 | -74.1 | -175.5 | 178.1 | 0 | 0 | 112.1 | E101 E102 T103 S108 K109 | E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.08Å; E102-E105 PolarHBondContact O-N 3.42Å; T103-E105 VanDerWaalsContact C-N 3.35Å; E105-S108 WeakPolarHBondContact O-CB 3.14Å; E105-S108 PolarHBondContact O-N 3.31Å; E105-K109 PolarHBondContact O-N 3.45Å |
| 106 | L | 94.3 | Very high | 91.9 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | 176.6 | -177.3 | 62.7 | 0 | 0 | 0 | 111.7 | I92 L94 R95 E102 T103 S108 K109 V110 | I92-L106 HydrophobicContact CG2-CD1 3.61Å; L94-L106 HydrophobicContact CD1-CD2 3.98Å; L94-L106 HydrophobicContact CD1-CG 4.18Å; R95-L106 WeakPolarHBondContact O-CD2 3.26Å; E102-L106 PolarHBondContact O-N 3.48Å; T103-L106 PolarHBondContact O-N 3.01Å; L106-S108 PolarHBondContact O-N 3.35Å; L106-K109 WeakPolarHBondContact O-CB 3.46Å; L106-K109 PolarHBondContact O-N 3.32Å; L106-K109 VanDerWaalsContact O-N 3.09Å; L106-V110 PolarHBondContact O-N 3.1Å |
| 107 | L | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 177.2 | -73.9 | 168.9 | 0 | 0 | 0 | 111.8 | L52 L56 L94 T103 K109 V110 L111 L121 A122 | L52-L107 HydrophobicContact CD1-CD2 4.19Å; L56-L107 HydrophobicContact CD1-CD2 4.4Å; L94-L107 HydrophobicContact CD1-CD2 3.8Å; L94-L107 HydrophobicContact CD1-CG 4.46Å; T103-L107 HydrophobicContact CG2-CD1 4.06Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.4Å; T103-L107 PolarHBondContact O-N 3.5Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.21Å; L107-V110 PolarHBondContact O-N 3.15Å; L107-V110 VanDerWaalsContact O-N 3.08Å; L107-L111 WeakPolarHBondContact O-CB 3.18Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 2.82Å; L107-L121 HydrophobicContact CD1-CB 3.69Å; L107-A122 HydrophobicContact CD1-CB 4.38Å |
| 108 | S | 91.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | A104 E105 L106 V110 L111 N112 G113 S118 | A104-S108 VanDerWaalsContact O-CB 3.25Å; A104-S108 WeakPolarHBondContact O-CB 3.46Å; A104-S108 PolarHBondContact O-N 2.93Å; E105-S108 WeakPolarHBondContact O-CB 3.14Å; E105-S108 PolarHBondContact O-N 3.31Å; L106-S108 PolarHBondContact O-N 3.35Å; S108-V110 VanDerWaalsContact C-N 3.34Å; S108-L111 CarbonylContact O-C 3.51Å; S108-L111 PolarHBondContact O-N 3.13Å; S108-N112 PolarHBondContact O-N 3.26Å; S108-G113 WeakPolarHBondContact O-CA 3.35Å; S108-G113 PolarHBondContact O-N 3.4Å; S108-G113 WeakPolarHBondContact OG-CA 3.27Å; S108-S118 WeakPolarHBondContact CA-OG 3.39Å; S108-S118 PolarHBondContact N-OG 3.37Å; S108-S118 VanDerWaalsContact N-OG 3.07Å |
| 109 | K | 89.5 | Confident | 92 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 173.5 | -62.5 | 179.7 | -178.6 | -178.5 | 0 | 112.5 | I92 E105 L106 L107 | I92-K109 HydrophobicContact CD1-CB 3.7Å; E105-K109 PolarHBondContact O-N 3.45Å; L106-K109 WeakPolarHBondContact O-CB 3.46Å; L106-K109 PolarHBondContact O-N 3.32Å; L106-K109 VanDerWaalsContact O-N 3.09Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.21Å |
| 110 | V | 87.3 | Confident | 91.9 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 111 | V47 L52 F84 I92 L106 L107 S108 N112 | V47-V110 HydrophobicContact CG1-CG1 4.35Å; L52-V110 HydrophobicContact CD1-CG1 3.97Å; L52-V110 HydrophobicContact CD2-CG1 4.46Å; F84-V110 HydrophobicContact CB-CG1 4.4Å; F84-V110 HydrophobicContact CD1-CG1 4.22Å; F84-V110 HydrophobicContact CD2-CG1 4.34Å; F84-V110 HydrophobicContact CD2-CG2 4.46Å; F84-V110 HydrophobicContact CG-CG1 4.05Å; I92-V110 HydrophobicContact CB-CG2 4.36Å; I92-V110 HydrophobicContact CD1-CG2 4.07Å; I92-V110 HydrophobicContact CG2-CG2 3.82Å; L106-V110 PolarHBondContact O-N 3.1Å; L107-V110 PolarHBondContact O-N 3.15Å; L107-V110 VanDerWaalsContact O-N 3.08Å; S108-V110 VanDerWaalsContact C-N 3.34Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.03Å |
| 111 | L | 85.9 | Confident | 91.8 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 27.5 | -177.6 | -67.1 | 173.9 | 0 | 0 | 0 | 113.5 | L31 F49 L52 L107 S108 G113 N114 A117 L121 | L31-L111 HydrophobicContact CD1-CD2 4.02Å; F49-L111 HydrophobicContact CD2-CD2 4.02Å; F49-L111 HydrophobicContact CE2-CD2 4.21Å; L52-L111 HydrophobicContact CD2-CD1 4.08Å; L52-L111 HydrophobicContact CD2-CD2 3.42Å; L52-L111 VanDerWaalsContact CD2-CD2 3.42Å; L52-L111 HydrophobicContact CD2-CG 3.79Å; L107-L111 WeakPolarHBondContact O-CB 3.18Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 2.82Å; S108-L111 CarbonylContact O-C 3.51Å; S108-L111 PolarHBondContact O-N 3.13Å; L111-G113 PolarHBondContact O-N 3.11Å; L111-G113 VanDerWaalsContact O-N 3.12Å; L111-N114 HydrophobicContact CB-CB 4.07Å; L111-N114 VanDerWaalsContact O-CB 3.28Å; L111-N114 WeakPolarHBondContact O-CB 3.47Å; L111-N114 PolarHBondContact O-N 2.82Å; L111-A117 HydrophobicContact CD1-CB 3.89Å; L111-L121 HydrophobicContact CD1-CD1 4.14Å |
| 112 | N | 83.5 | Confident | 91.7 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.9 | 175.9 | -69.6 | -29.4 | 0 | 0 | 0 | 114.8 | F45 D87 S108 V110 | F45-N112 HydrophobicContact CD1-CB 4.29Å; F45-N112 VanDerWaalsContact CD1-ND2 3.26Å; F45-N112 WeakPolarHBondContact CD1-ND2 3.47Å; F45-N112 HydrophobicContact CE1-CB 4.06Å; D87-N112 VanDerWaalsContact CG-ND2 3.34Å; D87-N112 PolarHBondContact OD2-ND2 2.95Å; S108-N112 PolarHBondContact O-N 3.26Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.03Å |
| 113 | G | 85.8 | Confident | 91.6 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | S108 L111 K115 | S108-G113 WeakPolarHBondContact O-CA 3.35Å; S108-G113 PolarHBondContact O-N 3.4Å; S108-G113 WeakPolarHBondContact OG-CA 3.27Å; L111-G113 PolarHBondContact O-N 3.11Å; L111-G113 VanDerWaalsContact O-N 3.12Å; G113-K115 VanDerWaalsContact C-N 3.31Å; G113-K115 PolarHBondContact O-N 3.35Å |
| 114 | N | 87.8 | Confident | 91.5 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | trans | -71.4 | 84.5 | 177.5 | -171.3 | -16.8 | 0 | 0 | 0 | 111.5 | L111 V116 A117 S118 | L111-N114 HydrophobicContact CB-CB 4.07Å; L111-N114 VanDerWaalsContact O-CB 3.28Å; L111-N114 WeakPolarHBondContact O-CB 3.47Å; L111-N114 PolarHBondContact O-N 2.82Å; N114-V116 VanDerWaalsContact C-N 3.35Å; N114-V116 PolarHBondContact O-N 3.28Å; N114-V116 PolarHBondContact OD1-N 3.14Å; N114-A117 HydrophobicContact CB-CB 4.29Å; N114-A117 PolarHBondContact O-N 3.44Å; N114-A117 PolarHBondContact OD1-N 2.92Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; N114-S118 WeakPolarHBondContact O-CB 3.4Å; N114-S118 PolarHBondContact O-N 2.92Å; N114-S118 PolarHBondContact O-OG 3.32Å | ||
| 115 | K | 91.5 | Very high | 91.4 | Very high | 141 Ų | 141 | 45.3 Ų | 45.3 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -42.1 | -178.6 | -67.8 | -170.2 | 171 | -168.5 | 0 | 113.2 | G113 A117 S118 E119 | G113-K115 VanDerWaalsContact C-N 3.31Å; G113-K115 PolarHBondContact O-N 3.35Å; K115-A117 PolarHBondContact O-N 3.12Å; K115-S118 PolarHBondContact O-N 2.86Å; K115-E119 WeakPolarHBondContact O-CB 3.45Å; K115-E119 VanDerWaalsContact O-CG 3.29Å; K115-E119 WeakPolarHBondContact O-CG 3.21Å; K115-E119 PolarHBondContact O-N 2.84Å |
| 116 | V | 91.4 | Very high | 91.3 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62 | -47.2 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | A27 N114 S118 A120 | A27-V116 HydrophobicContact CB-CB 4.47Å; A27-V116 HydrophobicContact CB-CG1 3.7Å; N114-V116 VanDerWaalsContact C-N 3.35Å; N114-V116 PolarHBondContact O-N 3.28Å; N114-V116 PolarHBondContact OD1-N 3.14Å; V116-S118 VanDerWaalsContact C-N 3.34Å; V116-A120 VanDerWaalsContact O-CB 3.22Å; V116-A120 WeakPolarHBondContact O-CB 3.41Å; V116-A120 PolarHBondContact O-N 2.72Å; V116-A120 VanDerWaalsContact O-N 3.09Å |
| 117 | A | 90.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L28 L31 L111 N114 K115 A120 L121 | L28-A117 HydrophobicContact CD2-CB 3.65Å; L28-A117 WeakPolarHBondContact CD2-O 3.08Å; L31-A117 HydrophobicContact CD1-CB 3.62Å; L111-A117 HydrophobicContact CD1-CB 3.89Å; N114-A117 HydrophobicContact CB-CB 4.29Å; N114-A117 PolarHBondContact O-N 3.44Å; N114-A117 PolarHBondContact OD1-N 2.92Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; K115-A117 PolarHBondContact O-N 3.12Å; A117-A120 WeakPolarHBondContact O-CB 3.46Å; A117-A120 PolarHBondContact O-N 3.35Å; A117-L121 PolarHBondContact O-N 2.76Å |
| 118 | S | 92.8 | Very high | 91 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.3 | -46.1 | -178.4 | -54 | 0 | 0 | 0 | 0 | 112.3 | A104 S108 N114 K115 V116 A120 L121 A122 | A104-S118 VanDerWaalsContact O-CB 3.29Å; A104-S118 WeakPolarHBondContact O-CB 3.2Å; S108-S118 WeakPolarHBondContact CA-OG 3.39Å; S108-S118 PolarHBondContact N-OG 3.37Å; S108-S118 VanDerWaalsContact N-OG 3.07Å; N114-S118 WeakPolarHBondContact O-CB 3.4Å; N114-S118 PolarHBondContact O-N 2.92Å; N114-S118 PolarHBondContact O-OG 3.32Å; K115-S118 PolarHBondContact O-N 2.86Å; V116-S118 VanDerWaalsContact C-N 3.34Å; S118-A120 VanDerWaalsContact C-N 3.34Å; S118-L121 PolarHBondContact O-N 3.47Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 2.86Å |
| 119 | E | 95.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.2 | -70.4 | 166.9 | -168.3 | 0 | 0 | 111.3 | A104 K115 A122 R123 | A104-E119 HydrophobicContact CB-CG 4.21Å; K115-E119 WeakPolarHBondContact O-CB 3.45Å; K115-E119 VanDerWaalsContact O-CG 3.29Å; K115-E119 WeakPolarHBondContact O-CG 3.21Å; K115-E119 PolarHBondContact O-N 2.84Å; E119-A122 PolarHBondContact O-N 2.87Å; E119-R123 WeakPolarHBondContact O-CB 3.35Å; E119-R123 PolarHBondContact O-N 2.84Å |
| 120 | A | 93.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L28 V116 A117 S118 V124 | L28-A120 HydrophobicContact CD1-CB 4.11Å; L28-A120 HydrophobicContact CD2-CB 4.23Å; L28-A120 HydrophobicContact CG-CB 4.19Å; V116-A120 VanDerWaalsContact O-CB 3.22Å; V116-A120 WeakPolarHBondContact O-CB 3.41Å; V116-A120 PolarHBondContact O-N 2.72Å; V116-A120 VanDerWaalsContact O-N 3.09Å; A117-A120 WeakPolarHBondContact O-CB 3.46Å; A117-A120 PolarHBondContact O-N 3.35Å; S118-A120 VanDerWaalsContact C-N 3.34Å; A120-V124 VanDerWaalsContact O-CG2 3.3Å; A120-V124 WeakPolarHBondContact O-CG2 3.47Å; A120-V124 PolarHBondContact O-N 3.37Å |
| 121 | L | 93.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -46.5 | 176.2 | -76.4 | 171.8 | 0 | 0 | 0 | 111.3 | I18 L28 F49 L52 L56 L107 L111 A117 S118 R123 V124 V125 | I18-L121 HydrophobicContact CG2-CD2 4.44Å; L28-L121 HydrophobicContact CD1-CD2 3.83Å; L28-L121 HydrophobicContact CD1-CG 4.04Å; L28-L121 HydrophobicContact CD2-CD1 4.07Å; L28-L121 HydrophobicContact CD2-CD2 4.24Å; L28-L121 HydrophobicContact CD2-CG 3.7Å; F49-L121 HydrophobicContact CE2-CD1 4.38Å; L52-L121 HydrophobicContact CD2-CD1 4.28Å; L56-L121 HydrophobicContact CD2-CB 4.25Å; L56-L121 HydrophobicContact CD2-CD1 4.29Å; L56-L121 HydrophobicContact CD2-CD2 3.92Å; L56-L121 HydrophobicContact CD2-CG 4.38Å; L107-L121 HydrophobicContact CD1-CB 3.69Å; L111-L121 HydrophobicContact CD1-CD1 4.14Å; A117-L121 PolarHBondContact O-N 2.76Å; S118-L121 PolarHBondContact O-N 3.47Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 2.83Å; L121-V124 PolarHBondContact O-N 2.86Å; L121-V125 WeakPolarHBondContact O-CG1 3.37Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 3.5Å |
| 122 | A | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.4 | -46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E100 T103 A104 L107 S118 E119 V124 V125 H126 | E100-A122 HydrophobicContact CG-CB 3.87Å; E100-A122 WeakPolarHBondContact O-CB 2.75Å; T103-A122 HydrophobicContact CG2-CB 4.38Å; A104-A122 HydrophobicContact CB-CB 3.68Å; L107-A122 HydrophobicContact CD1-CB 4.38Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 2.86Å; E119-A122 PolarHBondContact O-N 2.87Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 2.83Å; A122-V125 WeakPolarHBondContact O-CG2 3.46Å; A122-V125 PolarHBondContact O-N 3.45Å; A122-H126 PolarHBondContact O-CD2 2.98Å; A122-H126 VanDerWaalsContact O-CD2 3.29Å; A122-H126 PolarHBondContact O-N 3.35Å |
| 123 | R | 95 | Very high | 90.2 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 176.9 | -170.3 | -179.6 | -58.6 | 143 | 8.3 | 112.9 | E100 E119 L121 H126 Q127 | E100-R123 WeakPolarHBondContact OE1-CB 3.42Å; E100-R123 IonicContact OE1-NE 3.08Å; E119-R123 WeakPolarHBondContact O-CB 3.35Å; E119-R123 PolarHBondContact O-N 2.84Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 2.83Å; R123-H126 PolarHBondContact O-N 3.08Å; R123-Q127 PolarHBondContact O-N 2.99Å; R123-Q127 VanDerWaalsContact O-N 3.12Å |
| 124 | V | 93.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -38.3 | -177.5 | 179 | 0 | 0 | 0 | 0 | 110.9 | N17 I18 A21 A120 L121 A122 H126 Q127 | N17-V124 HydrophobicContact CB-CG1 4.05Å; I18-V124 HydrophobicContact CB-CG1 4.41Å; I18-V124 HydrophobicContact CG1-CG1 3.77Å; A21-V124 HydrophobicContact CB-CB 4.4Å; A21-V124 HydrophobicContact CB-CG1 4.1Å; A21-V124 HydrophobicContact CB-CG2 3.71Å; A120-V124 VanDerWaalsContact O-CG2 3.3Å; A120-V124 WeakPolarHBondContact O-CG2 3.47Å; A120-V124 PolarHBondContact O-N 3.37Å; L121-V124 PolarHBondContact O-N 2.86Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 2.83Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 2.88Å; V124-Q127 PolarHBondContact O-N 2.81Å |
| 125 | V | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76 | -14.2 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | K14 I18 L56 V60 L96 T103 L121 A122 | K14-V125 VanDerWaalsContact CE-C 3.46Å; K14-V125 WeakPolarHBondContact CE-O 3.24Å; K14-V125 PolarHBondContact NZ-O 3.27Å; I18-V125 HydrophobicContact CD1-CG1 3.68Å; I18-V125 HydrophobicContact CG1-CG1 3.94Å; L56-V125 HydrophobicContact CD1-CG1 3.94Å; L56-V125 HydrophobicContact CD2-CG1 3.72Å; L56-V125 HydrophobicContact CG-CG1 3.81Å; V60-V125 HydrophobicContact CG2-CB 3.98Å; V60-V125 HydrophobicContact CG2-CG1 3.87Å; L96-V125 HydrophobicContact CD2-CB 4.16Å; L96-V125 HydrophobicContact CD2-CG2 4.32Å; L96-V125 HydrophobicContact CG-CG2 4.47Å; T103-V125 HydrophobicContact CG2-CG2 3.88Å; L121-V125 WeakPolarHBondContact O-CG1 3.37Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 3.5Å; A122-V125 WeakPolarHBondContact O-CG2 3.46Å; A122-V125 PolarHBondContact O-N 3.45Å |
| 126 | H | 94 | Very high | 89.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -100.1 | -5.7 | 172.5 | -81.4 | -84.9 | 0 | 0 | 0 | 113.2 | C97 T99 E100 T103 A122 R123 V124 D128 | C97-H126 PolarHBondContact O-CE1 2.67Å; T99-H126 PolarHBondContact O-NE2 3.01Å; E100-H126 HydrophobicContact CB-CB 4.36Å; T103-H126 PolarHBondContact OG1-NE2 2.98Å; A122-H126 PolarHBondContact O-CD2 2.98Å; A122-H126 VanDerWaalsContact O-CD2 3.29Å; A122-H126 PolarHBondContact O-N 3.35Å; R123-H126 PolarHBondContact O-N 3.08Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 2.88Å; H126-D128 PolarHBondContact O-N 2.96Å |
| 127 | Q | 92.2 | Very high | 89.5 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | trans | -68.2 | 126.8 | 178.3 | -170.8 | 176.1 | -8.7 | 0 | 0 | 111.1 | K14 R123 V124 | K14-Q127 WeakPolarHBondContact CE-O 3.31Å; R123-Q127 PolarHBondContact O-N 2.99Å; R123-Q127 VanDerWaalsContact O-N 3.12Å; V124-Q127 PolarHBondContact O-N 2.81Å | ||
| 128 | D | 88.4 | Confident | 89.3 | Confident | 152 Ų | 152 | 54.3 Ų | 54.3 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | trans | -70.4 | 138.5 | 172.9 | -72.7 | -38.9 | 0 | 0 | 0 | 111.2 | H126 | H126-D128 PolarHBondContact O-N 2.96Š| ||
| 129 | V | 89.1 | Confident | 88.9 | Confident | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.218 | 31% | 0.31 | C | S | . | . | trans | -125.1 | 127.4 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | E13 K14 | E13-V129 HydrophobicContact CB-CG1 3.89Å; E13-V129 HydrophobicContact CG-CG1 3.65Å; K14-V129 HydrophobicContact CB-CG2 4.16Å; K14-V129 HydrophobicContact CG-CG2 4.46Å | ||
| 130 | A | 83.1 | Confident | 88.3 | Confident | 95 Ų | 95 | 59 Ų | 59 | 79% | 0.785 | 33% | 0.328 | S | S | * | . | trans | -105.4 | 130.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 131 | F | 81.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | trans | -121.2 | 133.4 | 173.7 | -174.6 | -85.1 | 0 | 0 | 0 | 110 | L9 D133 C219 H235 L237 | L9-F131 HydrophobicContact CB-CB 4.38Å; L9-F131 HydrophobicContact CB-CD1 3.75Å; L9-F131 HydrophobicContact CB-CD2 4.42Å; L9-F131 HydrophobicContact CB-CE1 4.12Å; L9-F131 HydrophobicContact CB-CG 3.92Å; L9-F131 HydrophobicContact CD1-CD1 3.83Å; L9-F131 HydrophobicContact CD1-CE1 3.54Å; L9-F131 HydrophobicContact CD1-CZ 4.27Å; L9-F131 HydrophobicContact CD2-CE1 4.29Å; L9-F131 HydrophobicContact CD2-CZ 4.25Å; L9-F131 HydrophobicContact CG-CD1 4.3Å; L9-F131 HydrophobicContact CG-CE1 4.2Å; F131-D133 HydrophobicContact CE1-CB 3.61Å; F131-D133 HydrophobicContact CZ-CB 4.24Å; F131-C219 HydrophobicContact CE2-CB 4.46Å; F131-H235 HydrophobicContact CE2-CB 4.03Å; F131-H235 HydrophobicContact CZ-CB 4.11Å; F131-H235 AromaticContact CZ-CD2 3.69Å; F131-H235 AromaticContact CZ-CG 3.91Å; F131-L237 HydrophobicContact CD2-CD1 4.16Å; F131-L237 HydrophobicContact CD2-CD2 3.71Å; F131-L237 HydrophobicContact CE2-CD1 4.03Å; F131-L237 HydrophobicContact CE2-CD2 3.8Å; F131-L237 HydrophobicContact CE2-CG 4.36Å | ||
| 132 | T | 81.4 | Confident | 87.6 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 66% | 0.656 | 36% | 0.363 | S | S | * | . | trans | -130.2 | 128.4 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 133 | D | 85.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | trans | -137.4 | 115.5 | 172.8 | 177.5 | -29.9 | 0 | 0 | 0 | 108.5 | F131 T135 L136 D137 W221 H235 | F131-D133 HydrophobicContact CE1-CB 3.61Å; F131-D133 HydrophobicContact CZ-CB 4.24Å; D133-T135 PolarHBondContact O-N 2.91Å; D133-T135 VanDerWaalsContact OD1-CA 3.32Å; D133-T135 WeakPolarHBondContact OD1-CA 3.2Å; D133-T135 WeakPolarHBondContact OD1-CB 3.41Å; D133-T135 PolarHBondContact OD1-N 3.45Å; D133-T135 PolarHBondContact OD1-OG1 2.91Å; D133-T135 VanDerWaalsContact OD1-OG1 3.08Å; D133-L136 HydrophobicContact CB-CB 3.9Å; D133-L136 WeakPolarHBondContact O-CA 3.46Å; D133-L136 WeakPolarHBondContact O-CB 3.39Å; D133-L136 PolarHBondContact O-N 3.21Å; D133-L136 PolarHBondContact OD1-N 3.07Å; D133-D137 PolarHBondContact O-N 3.26Å; D133-W221 WeakPolarHBondContact OD2-CZ2 3.44Å; D133-W221 PolarHBondContact OD2-NE1 3.24Å; D133-H235 IonicContact OD1-NE2 3.87Å; D133-H235 IonicContact OD2-CD2 3.41Å; D133-H235 PolarHBondContact OD2-CD2 3.24Å; D133-H235 IonicContact OD2-CE1 3.69Å; D133-H235 IonicContact OD2-NE2 2.66Å; D133-H235 PolarHBondContact OD2-NE2 3.35Å | ||
| 134 | P | 85.1 | Confident | 87.2 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.7 | -30.9 | -179.2 | -26.3 | 34.6 | 0 | 0 | 0 | 114.6 | S138 | P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 2.88Å; P134-S138 VanDerWaalsContact O-N 3.11Å; P134-S138 PolarHBondContact O-OG 3.5Å |
| 135 | T | 86.2 | Confident | 87.2 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.9 | -40.1 | 0 | 0 | 0 | 0 | 110.2 | D133 S138 T139 W221 | D133-T135 PolarHBondContact O-N 2.91Å; D133-T135 VanDerWaalsContact OD1-CA 3.32Å; D133-T135 WeakPolarHBondContact OD1-CA 3.2Å; D133-T135 WeakPolarHBondContact OD1-CB 3.41Å; D133-T135 PolarHBondContact OD1-N 3.45Å; D133-T135 PolarHBondContact OD1-OG1 2.91Å; D133-T135 VanDerWaalsContact OD1-OG1 3.08Å; T135-S138 PolarHBondContact O-OG 3.39Å; T135-S138 VanDerWaalsContact O-OG 3.07Å; T135-T139 PolarHBondContact O-N 2.96Å; T135-T139 PolarHBondContact O-OG1 3.24Å; T135-W221 HydrophobicContact CG2-CH2 4.24Å; T135-W221 HydrophobicContact CG2-CZ2 4.36Å |
| 136 | L | 86.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 174.6 | -171.3 | 66.4 | 0 | 0 | 0 | 111.3 | S2 L5 R6 L9 D133 S138 T139 W221 | S2-L136 WeakPolarHBondContact OG-CD1 3.47Å; L5-L136 HydrophobicContact CB-CD1 4.31Å; L5-L136 HydrophobicContact CD2-CD1 3.67Å; L5-L136 HydrophobicContact CG-CD1 3.98Å; R6-L136 HydrophobicContact CB-CD2 3.93Å; R6-L136 HydrophobicContact CG-CD2 4.46Å; L9-L136 HydrophobicContact CD1-CD2 3.5Å; L9-L136 VanDerWaalsContact CD1-CD2 3.5Å; D133-L136 HydrophobicContact CB-CB 3.9Å; D133-L136 WeakPolarHBondContact O-CA 3.46Å; D133-L136 WeakPolarHBondContact O-CB 3.39Å; D133-L136 PolarHBondContact O-N 3.21Å; D133-L136 PolarHBondContact OD1-N 3.07Å; L136-S138 PolarHBondContact O-N 3.38Å; L136-T139 WeakPolarHBondContact O-CB 3.02Å; L136-T139 PolarHBondContact O-N 3.44Å; L136-W221 HydrophobicContact CB-CH2 4.19Å; L136-W221 HydrophobicContact CB-CZ2 3.77Å; L136-W221 HydrophobicContact CD1-CE3 4.46Å; L136-W221 HydrophobicContact CD1-CH2 4.01Å; L136-W221 HydrophobicContact CD1-CZ2 4.22Å; L136-W221 HydrophobicContact CD1-CZ3 4.13Å |
| 137 | D | 85.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -33.3 | 178.4 | -62.1 | -19.3 | 0 | 0 | 0 | 112.4 | R6 D133 | R6-D137 IonicContact CZ-OD1 2.61Å; R6-D137 IonicContact NH1-OD1 2.67Å; R6-D137 PolarHBondContact NH1-OD1 2.86Å; R6-D137 IonicContact NH2-OD1 3.98Å; R6-D137 PolarHBondContact NH2-OD1 3.19Å; D133-D137 PolarHBondContact O-N 3.26Å |
| 138 | S | 85.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 64 Ų | 64 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.3 | 177 | 51.4 | 0 | 0 | 0 | 0 | 114 | P134 T135 L136 E140 | P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 2.88Å; P134-S138 VanDerWaalsContact O-N 3.11Å; P134-S138 PolarHBondContact O-OG 3.5Å; T135-S138 PolarHBondContact O-OG 3.39Å; T135-S138 VanDerWaalsContact O-OG 3.07Å; L136-S138 PolarHBondContact O-N 3.38Å; S138-E140 PolarHBondContact O-N 3.12Å |
| 139 | T | 83.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -84.4 | 104.1 | -179.3 | -63.4 | 0 | 0 | 0 | 0 | 111 | T135 L136 I141 T230 | T135-T139 PolarHBondContact O-N 2.96Å; T135-T139 PolarHBondContact O-OG1 3.24Å; L136-T139 WeakPolarHBondContact O-CB 3.02Å; L136-T139 PolarHBondContact O-N 3.44Å; T139-I141 HydrophobicContact CG2-CB 4.19Å; T139-I141 HydrophobicContact CG2-CD1 3.51Å; T139-I141 HydrophobicContact CG2-CG1 3.72Å; T139-I141 PolarHBondContact O-N 3.35Å; T139-T230 HydrophobicContact CG2-CG2 3.9Å | ||
| 140 | E | 82.2 | Confident | 88.3 | Confident | 177 Ų | 177 | 55 Ų | 55 | 83% | 0.827 | 32% | 0.321 | S | S | * | . | trans | -91.7 | 70 | 176.4 | -65.7 | -171.5 | 173.5 | 0 | 0 | 112.1 | S138 | S138-E140 PolarHBondContact O-N 3.12Š| ||
| 141 | I | 85.8 | Confident | 89 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | trans | -117.3 | 140.6 | 174.9 | -58.7 | 169.5 | 0 | 0 | 0 | 109 | M1 S2 T139 V143 L223 Y225 T228 T230 | M1-I141 CarbonylContact C-O 3.56Å; M1-I141 PolarHBondContact N-O 3.48Å; S2-I141 PolarHBondContact N-O 2.75Å; T139-I141 HydrophobicContact CG2-CB 4.19Å; T139-I141 HydrophobicContact CG2-CD1 3.51Å; T139-I141 HydrophobicContact CG2-CG1 3.72Å; T139-I141 PolarHBondContact O-N 3.35Å; I141-V143 HydrophobicContact CG2-CG2 3.94Å; I141-L223 HydrophobicContact CB-CD1 4.49Å; I141-L223 HydrophobicContact CD1-CD1 4.1Å; I141-L223 HydrophobicContact CD1-CD2 3.32Å; I141-L223 HydrophobicContact CD1-CG 4.37Å; I141-L223 HydrophobicContact CG2-CD1 4.39Å; I141-L223 HydrophobicContact CG2-CD2 4.43Å; I141-Y225 HydrophobicContact CG2-CD1 3.88Å; I141-T228 HydrophobicContact CD1-CG2 3.37Å; I141-T228 HydrophobicContact CG1-CG2 4.26Å; I141-T230 HydrophobicContact CD1-CG2 4.38Å | ||
| 142 | N | 87.6 | Confident | 89.8 | Confident | 127 Ų | 127 | 55.6 Ų | 55.6 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | trans | -124.2 | 115.3 | 170.6 | -170.3 | -3.4 | 0 | 0 | 0 | 108.1 | ||||
| 143 | V | 89.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | trans | -103 | 123.8 | 175 | -168.6 | 0 | 0 | 0 | 0 | 107 | I141 Q145 I147 L148 L197 Y225 | I141-V143 HydrophobicContact CG2-CG2 3.94Å; V143-Q145 PolarHBondContact O-N 2.63Å; V143-I147 HydrophobicContact CG1-CD1 4.05Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; V143-L148 HydrophobicContact CB-CD2 4.49Å; V143-L148 HydrophobicContact CG1-CD2 3.63Å; V143-L148 HydrophobicContact CG1-CG 4.47Å; V143-L197 HydrophobicContact CG1-CD1 4.02Å; V143-Y225 HydrophobicContact CG1-CD2 4.1Å; V143-Y225 HydrophobicContact CG1-CE2 3.91Å; V143-Y225 HydrophobicContact CG1-CG 4.49Å; V143-Y225 HydrophobicContact CG2-CD1 3.85Å; V143-Y225 HydrophobicContact CG2-CD2 4.32Å; V143-Y225 HydrophobicContact CG2-CE1 4.2Å; V143-Y225 HydrophobicContact CG2-CG 3.9Å | ||
| 144 | P | 92.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | trans | -58 | 130.3 | -179.3 | -22.8 | 32.7 | 0 | 0 | 0 | 111.4 | D146 I147 L148 Y225 | P144-D146 VanDerWaalsContact C-N 3.26Å; P144-D146 WeakPolarHBondContact CB-OD1 3.35Å; P144-D146 PolarHBondContact O-N 3.27Å; P144-I147 HydrophobicContact CB-CG1 4.25Å; P144-I147 WeakPolarHBondContact O-CG1 3.09Å; P144-I147 PolarHBondContact O-N 3.46Å; P144-L148 WeakPolarHBondContact O-CG 3.4Å; P144-Y225 WeakPolarHBondContact CD-OH 3.46Å | ||
| 145 | Q | 92.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 47 Ų | 47 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -65.2 | -31.3 | -175.8 | -172.7 | -173.3 | -55.3 | 0 | 0 | 112.8 | P70 L72 V143 I147 L148 | P70-Q145 PolarHBondContact O-NE2 2.87Å; L72-Q145 HydrophobicContact CB-CG 4.41Å; L72-Q145 HydrophobicContact CD1-CG 3.87Å; V143-Q145 PolarHBondContact O-N 2.63Å; Q145-I147 PolarHBondContact O-N 2.91Å; Q145-L148 WeakPolarHBondContact O-CB 3.31Å; Q145-L148 PolarHBondContact O-N 2.61Å; Q145-L148 VanDerWaalsContact O-N 3.08Å |
| 146 | D | 93.7 | Very high | 91.9 | Very high | 126 Ų | 126 | 47 Ų | 47 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -67.7 | -18.7 | -175.9 | 60.2 | -41.3 | 0 | 0 | 0 | 113.9 | P144 | P144-D146 VanDerWaalsContact C-N 3.26Å; P144-D146 WeakPolarHBondContact CB-OD1 3.35Å; P144-D146 PolarHBondContact O-N 3.27Å |
| 147 | I | 94.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -93.7 | -4.5 | 174.3 | 65.6 | 159 | 0 | 0 | 0 | 113 | V143 P144 Q145 D190 I191 L197 Y225 | V143-I147 HydrophobicContact CG1-CD1 4.05Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; P144-I147 HydrophobicContact CB-CG1 4.25Å; P144-I147 WeakPolarHBondContact O-CG1 3.09Å; P144-I147 PolarHBondContact O-N 3.46Å; Q145-I147 PolarHBondContact O-N 2.91Å; I147-D190 CarbonylContact O-C 3.57Å; I147-D190 WeakPolarHBondContact O-CA 3.31Å; I147-I191 PolarHBondContact O-N 2.9Å; I147-L197 HydrophobicContact CD1-CD1 4.38Å; I147-Y225 HydrophobicContact CD1-CE2 4.29Å |
| 148 | L | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.5 | -170.2 | -59 | -177.7 | 0 | 0 | 0 | 113.1 | I4 L72 N75 V143 P144 Q145 V188 I191 L197 M198 | I4-L148 HydrophobicContact CD1-CD1 3.44Å; I4-L148 VanDerWaalsContact CD1-CD1 3.44Å; L72-L148 HydrophobicContact CD1-CB 4.11Å; N75-L148 VanDerWaalsContact CB-O 3.3Å; N75-L148 WeakPolarHBondContact CB-O 3.37Å; N75-L148 PolarHBondContact ND2-O 3.32Å; V143-L148 HydrophobicContact CB-CD2 4.49Å; V143-L148 HydrophobicContact CG1-CD2 3.63Å; V143-L148 HydrophobicContact CG1-CG 4.47Å; P144-L148 WeakPolarHBondContact O-CG 3.4Å; Q145-L148 WeakPolarHBondContact O-CB 3.31Å; Q145-L148 PolarHBondContact O-N 2.61Å; Q145-L148 VanDerWaalsContact O-N 3.08Å; L148-V188 HydrophobicContact CB-CG1 4.09Å; L148-V188 HydrophobicContact CD1-CG1 4.35Å; L148-V188 HydrophobicContact CD2-CG1 3.79Å; L148-V188 HydrophobicContact CG-CG1 4.29Å; L148-I191 VanDerWaalsContact C-CD1 3.41Å; L148-I191 WeakPolarHBondContact O-CD1 3.45Å; L148-L197 HydrophobicContact CD2-CD1 3.65Å; L148-M198 HydrophobicContact CD1-CE 4.13Å; L148-M198 HydrophobicContact CD2-CE 4.28Å |
| 149 | G | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 144.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V188 Y189 | G149-V188 CarbonylContact O-C 3.58Å; G149-V188 VanDerWaalsContact O-CA 3.31Å; G149-V188 WeakPolarHBondContact O-CA 3.49Å; G149-V188 WeakPolarHBondContact O-CG1 3.43Å; G149-Y189 VanDerWaalsContact C-CE1 3.44Å; G149-Y189 PolarHBondContact N-O 2.83Å; G149-Y189 VanDerWaalsContact O-CD1 3.24Å; G149-Y189 WeakPolarHBondContact O-CD1 3.39Å; G149-Y189 PolarHBondContact O-N 3.48Å |
| 150 | I | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.8 | 177.9 | -58.1 | -175.9 | 0 | 0 | 0 | 108.7 | L8 M65 L72 N75 I76 F77 V152 I186 G187 V188 | L8-I150 HydrophobicContact CD2-CD1 4.4Å; M65-I150 HydrophobicContact CE-CD1 4.33Å; L72-I150 HydrophobicContact CD1-CD1 4.4Å; L72-I150 HydrophobicContact CD2-CD1 3.72Å; L72-I150 HydrophobicContact CG-CD1 4.09Å; N75-I150 PolarHBondContact O-N 3.48Å; I76-I150 HydrophobicContact CB-CB 4.49Å; I76-I150 HydrophobicContact CG1-CB 4.07Å; I76-I150 HydrophobicContact CG1-CD1 4.11Å; I76-I150 HydrophobicContact CG1-CG1 4.42Å; I76-I150 HydrophobicContact CG2-CB 4.5Å; I76-I150 HydrophobicContact CG2-CG2 4.41Å; F77-I150 PolarHBondContact N-O 3.39Å; I150-V152 HydrophobicContact CG2-CG2 4Å; I150-I186 HydrophobicContact CG2-CG2 3.64Å; I150-G187 CarbonylContact C-O 3.56Å; I150-G187 VanDerWaalsContact CA-O 3.31Å; I150-G187 WeakPolarHBondContact CA-O 3.4Å; I150-V188 HydrophobicContact CG1-CG1 4.18Å; I150-V188 HydrophobicContact CG1-CG2 4.17Å |
| 151 | W | 97.9 | Very high | 93.8 | Very high | 119 Ų | 119 | 41.2 Ų | 41.2 | 45% | 0.451 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.2 | 171.5 | -170.5 | 83.9 | 0 | 0 | 0 | 109.7 | F77 D153 G187 | F77-W151 CarbonylContact O-C 3.56Å; F77-W151 VanDerWaalsContact O-CA 3.31Å; F77-W151 WeakPolarHBondContact O-CA 3.4Å; W151-D153 HydrophobicContact CH2-CB 3.69Å; W151-D153 HydrophobicContact CZ3-CB 3.64Å; W151-G187 PolarHBondContact N-O 3.43Å; W151-G187 PolarHBondContact O-N 3.27Å |
| 152 | V | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127 | -175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | Q58 I61 I76 F77 G78 I150 L185 I186 | Q58-V152 HydrophobicContact CG-CG1 4.42Å; I61-V152 HydrophobicContact CD1-CG1 3.74Å; I61-V152 HydrophobicContact CG2-CG2 4.1Å; I76-V152 HydrophobicContact CG2-CG2 4.07Å; F77-V152 PolarHBondContact O-N 3.14Å; G78-V152 VanDerWaalsContact CA-O 3.25Å; G78-V152 WeakPolarHBondContact CA-O 3.47Å; I150-V152 HydrophobicContact CG2-CG2 4Å; V152-L185 WeakPolarHBondContact CA-O 3.27Å; V152-I186 HydrophobicContact CG2-CG2 4.27Å |
| 153 | D | 96.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107 | 159.1 | -163.6 | -35.7 | 0 | 0 | 0 | 107.6 | W151 D156 L185 | W151-D153 HydrophobicContact CH2-CB 3.69Å; W151-D153 HydrophobicContact CZ3-CB 3.64Å; D153-D156 PolarHBondContact OD1-N 3.47Å; D153-L185 HydrophobicContact CB-CB 3.83Å; D153-L185 HydrophobicContact CB-CD1 4.07Å; D153-L185 HydrophobicContact CB-CG 4.18Å; D153-L185 PolarHBondContact N-O 2.87Å; D153-L185 PolarHBondContact O-N 2.8Å |
| 154 | P | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -42.8 | -170.4 | 25.2 | -32.2 | 0 | 0 | 0 | 112.4 | D54 V57 Q58 E80 I184 | D54-P154 HydrophobicContact CB-CB 4.38Å; D54-P154 HydrophobicContact CB-CG 3.79Å; D54-P154 VanDerWaalsContact O-CB 3.23Å; D54-P154 WeakPolarHBondContact O-CB 3.49Å; V57-P154 HydrophobicContact CB-CB 3.82Å; V57-P154 HydrophobicContact CG1-CB 3.55Å; Q58-P154 HydrophobicContact CB-CB 4.4Å; E80-P154 HydrophobicContact CG-CG 4.34Å; P154-I184 VanDerWaalsContact O-CG1 3.32Å; P154-I184 WeakPolarHBondContact O-CG1 3.38Å |
| 155 | I | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 84.7 | 176.8 | -49.4 | 179 | 0 | 0 | 0 | 109.2 | A19 A53 D54 T158 Y161 V182 | A19-I155 HydrophobicContact CB-CD1 4.44Å; A53-I155 HydrophobicContact CB-CD1 4.09Å; D54-I155 WeakPolarHBondContact OD1-CB 3.23Å; D54-I155 VanDerWaalsContact OD1-CG1 3.32Å; D54-I155 WeakPolarHBondContact OD1-CG1 3.4Å; I155-T158 PolarHBondContact O-OG1 2.76Å; I155-T158 VanDerWaalsContact O-OG1 3.14Å; I155-Y161 HydrophobicContact CD1-CD1 4.37Å; I155-Y161 HydrophobicContact CD1-CE1 4.02Å; I155-Y161 HydrophobicContact CG2-CD1 4.06Å; I155-Y161 HydrophobicContact CG2-CD2 4.19Å; I155-Y161 HydrophobicContact CG2-CG 3.82Å; I155-V182 HydrophobicContact CG2-CG1 3.55Å |
| 156 | D | 96.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 150.3 | 174.3 | 175.6 | 43.8 | 0 | 0 | 0 | 110.5 | D153 T183 L185 | D153-D156 PolarHBondContact OD1-N 3.47Å; D156-T183 WeakPolarHBondContact CB-O 3.36Å; D156-T183 PolarHBondContact N-O 3.17Å; D156-T183 PolarHBondContact O-N 3.18Å; D156-T183 PolarHBondContact OD2-OG1 2.99Å; D156-L185 HydrophobicContact CB-CD1 4.06Å; D156-L185 HydrophobicContact CB-CG 4.41Å |
| 157 | S | 94.5 | Very high | 94.1 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 63.2 | 43.6 | -174.5 | -146.5 | 0 | 0 | 0 | 0 | 112.8 | Y159 Q160 Y161 C181 | S157-Y159 PolarHBondContact O-N 2.82Å; S157-Q160 WeakPolarHBondContact O-CA 3.49Å; S157-Q160 WeakPolarHBondContact O-CB 3.49Å; S157-Q160 PolarHBondContact O-N 3.14Å; S157-Q160 WeakPolarHBondContact OG-CG 3.41Å; S157-Y161 PolarHBondContact O-N 2.94Å; S157-Y161 VanDerWaalsContact O-N 3.07Å; S157-C181 WeakPolarHBondContact CB-O 3.5Å |
| 158 | T | 89.9 | Confident | 94.1 | Very high | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.7 | -33.2 | -174.9 | -33.9 | 0 | 0 | 0 | 0 | 113.6 | K50 I155 Q160 Y161 I162 | K50-T158 HydrophobicContact CD-CG2 3.49Å; K50-T158 VanDerWaalsContact CD-CG2 3.49Å; K50-T158 HydrophobicContact CG-CG2 3.32Å; I155-T158 PolarHBondContact O-OG1 2.76Å; I155-T158 VanDerWaalsContact O-OG1 3.14Å; T158-Q160 VanDerWaalsContact C-N 3.31Å; T158-Q160 PolarHBondContact O-N 2.83Å; T158-Y161 WeakPolarHBondContact O-CB 3.48Å; T158-Y161 PolarHBondContact O-N 2.85Å; T158-Y161 VanDerWaalsContact O-N 3.14Å; T158-I162 HydrophobicContact CG2-CG1 4.25Å; T158-I162 WeakPolarHBondContact O-CG1 3.46Å; T158-I162 PolarHBondContact O-N 2.95Å |
| 159 | Y | 90 | Very high | 93.8 | Very high | 160 Ų | 160 | 49 Ų | 49 | 63% | 0.627 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.1 | -44.3 | 173.7 | 174.2 | -95.4 | 0 | 0 | 0 | 112.3 | S157 Y161 K163 | S157-Y159 PolarHBondContact O-N 2.82Å; Y159-Y161 VanDerWaalsContact C-N 3.34Å; Y159-K163 HydrophobicContact CE1-CD 3.93Å; Y159-K163 WeakPolarHBondContact O-CB 3.44Å; Y159-K163 PolarHBondContact O-N 2.74Å |
| 160 | Q | 94.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 176.6 | -59.2 | -61.3 | -25 | 0 | 0 | 111 | S157 T158 G164 C181 V182 | S157-Q160 WeakPolarHBondContact O-CA 3.49Å; S157-Q160 WeakPolarHBondContact O-CB 3.49Å; S157-Q160 PolarHBondContact O-N 3.14Å; S157-Q160 WeakPolarHBondContact OG-CG 3.41Å; T158-Q160 VanDerWaalsContact C-N 3.31Å; T158-Q160 PolarHBondContact O-N 2.83Å; Q160-G164 PolarHBondContact O-N 2.8Å; Q160-C181 HydrophobicContact CB-CB 4.38Å; Q160-C181 HydrophobicContact CG-CB 4.07Å; Q160-V182 HydrophobicContact CB-CG2 4.23Å |
| 161 | Y | 93.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.8 | -178.3 | -115.1 | 0 | 0 | 0 | 112.3 | A19 C22 R23 L32 I155 S157 T158 Y159 L179 V182 F205 | A19-Y161 HydrophobicContact CB-CE2 4.22Å; A19-Y161 WeakPolarHBondContact O-CE2 3.45Å; A19-Y161 PolarHBondContact O-OH 3.09Å; C22-Y161 WeakPolarHBondContact CB-OH 3.4Å; R23-Y161 HydrophobicContact CG-CE2 3.85Å; R23-Y161 PolarHBondContact NH1-O 3.11Å; L32-Y161 HydrophobicContact CD1-CD1 4.45Å; L32-Y161 HydrophobicContact CD1-CE1 3.84Å; L32-Y161 HydrophobicContact CD2-CE1 4.15Å; I155-Y161 HydrophobicContact CD1-CD1 4.37Å; I155-Y161 HydrophobicContact CD1-CE1 4.02Å; I155-Y161 HydrophobicContact CG2-CD1 4.06Å; I155-Y161 HydrophobicContact CG2-CD2 4.19Å; I155-Y161 HydrophobicContact CG2-CG 3.82Å; S157-Y161 PolarHBondContact O-N 2.94Å; S157-Y161 VanDerWaalsContact O-N 3.07Å; T158-Y161 WeakPolarHBondContact O-CB 3.48Å; T158-Y161 PolarHBondContact O-N 2.85Å; T158-Y161 VanDerWaalsContact O-N 3.14Å; Y159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-L179 HydrophobicContact CD2-CD2 4.3Å; Y161-V182 HydrophobicContact CD2-CG1 4.18Å; Y161-V182 HydrophobicContact CD2-CG2 4.31Å; Y161-F205 AromaticContact CD2-CE2 3.84Å; Y161-F205 HydrophobicContact CD2-CE2 3.84Å; Y161-F205 HydrophobicContact CD2-CZ 4.28Å; Y161-F205 AromaticContact CE2-CE2 3.76Å; Y161-F205 HydrophobicContact CE2-CE2 3.76Å; Y161-F205 AromaticContact CE2-CZ 3.8Å; Y161-F205 HydrophobicContact CE2-CZ 3.8Å |
| 162 | I | 88.3 | Confident | 93.3 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.205 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -51.3 | 177.3 | -61.6 | -60.1 | 0 | 0 | 0 | 110.8 | R23 L32 K50 T158 G164 | R23-I162 PolarHBondContact NH1-O 3.03Å; R23-I162 VanDerWaalsContact NH1-O 3.13Å; L32-I162 HydrophobicContact CD1-CD1 3.38Å; L32-I162 HydrophobicContact CG-CD1 3.89Å; K50-I162 HydrophobicContact CB-CD1 4.26Å; K50-I162 HydrophobicContact CG-CD1 4.36Å; T158-I162 HydrophobicContact CG2-CG1 4.25Å; T158-I162 WeakPolarHBondContact O-CG1 3.46Å; T158-I162 PolarHBondContact O-N 2.95Å; I162-G164 PolarHBondContact O-N 2.85Å |
| 163 | K | 90.5 | Very high | 93.1 | Very high | 105 Ų | 105 | 63 Ų | 63 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.9 | -38.8 | -179.5 | -176.3 | -179.5 | 178.8 | -178.7 | 0 | 112.2 | Y159 S165 | Y159-K163 HydrophobicContact CE1-CD 3.93Å; Y159-K163 WeakPolarHBondContact O-CB 3.44Å; Y159-K163 PolarHBondContact O-N 2.74Å; K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 WeakPolarHBondContact CE-OG 3.12Å; K163-S165 PolarHBondContact O-N 3.35Å |
| 164 | G | 92.2 | Very high | 93 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | trans | 71.8 | 21 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R23 Q160 I162 A166 | R23-G164 VanDerWaalsContact NH2-CA 3.33Å; Q160-G164 PolarHBondContact O-N 2.8Å; I162-G164 PolarHBondContact O-N 2.85Å; G164-A166 PolarHBondContact O-N 3Å | ||
| 165 | S | 93.3 | Very high | 93.1 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | trans | -64.9 | 119.8 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | K163 G178 L179 | K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 WeakPolarHBondContact CE-OG 3.12Å; K163-S165 PolarHBondContact O-N 3.35Å; S165-G178 VanDerWaalsContact O-CA 3.26Å; S165-G178 WeakPolarHBondContact O-CA 3.35Å; S165-L179 PolarHBondContact O-N 3.48Å | ||
| 166 | A | 92.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 75.9 Ų | 75.9 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | trans | -106.9 | -12.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G164 L179 R208 W215 | G164-A166 PolarHBondContact O-N 3Å; A166-L179 HydrophobicContact CB-CD1 4.49Å; A166-R208 VanDerWaalsContact CB-NH1 3.31Å; A166-W215 HydrophobicContact CB-CH2 4.01Å; A166-W215 HydrophobicContact CB-CZ2 3.59Å | ||
| 167 | D | 91 | Very high | 93.1 | Very high | 138 Ų | 138 | 74.3 Ų | 74.3 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | trans | -111.6 | 13.7 | -168.8 | 59.7 | -32.7 | 0 | 0 | 0 | 113.2 | ||||
| 168 | I | 93.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.1 | 176.9 | -53.5 | -56.1 | 0 | 0 | 0 | 109.7 | F175 P176 C177 | I168-F175 HydrophobicContact CG2-CD1 4.46Å; I168-F175 WeakPolarHBondContact O-CE1 3.25Å; I168-P176 HydrophobicContact CG2-CG 4.29Å; I168-C177 WeakPolarHBondContact CG2-O 3.3Å |
| 169 | K | 91.4 | Very high | 93.5 | Very high | 188 Ų | 188 | 71.5 Ų | 71.5 | 82% | 0.817 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 138.2 | 172.9 | -65.1 | -176.2 | -178.7 | 179.6 | 0 | 109.9 | ||
| 170 | S | 94.2 | Very high | 93.9 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 148.4 | 171.7 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | I174 | S170-I174 CarbonylContact C-O 3.55Å; S170-I174 WeakPolarHBondContact CA-O 3.26Å |
| 171 | N | 94.5 | Very high | 94 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -100.9 | 109.6 | 166.1 | -175.5 | 12.1 | 0 | 0 | 0 | 107.7 | G173 I174 | N171-G173 PolarHBondContact O-N 3.28Å; N171-I174 PolarHBondContact N-O 2.92Å; N171-I174 PolarHBondContact O-N 3.23Å |
| 172 | Q | 93.7 | Very high | 94.2 | Very high | 186 Ų | 186 | 65.2 Ų | 65.2 | 87% | 0.869 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 38.3 | -177.6 | -59.4 | 178.3 | -12.2 | 0 | 0 | 113.4 | I174 | Q172-I174 VanDerWaalsContact C-N 3.31Å; Q172-I174 PolarHBondContact O-N 3.02Å |
| 173 | G | 92 | Very high | 94.7 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | N171 | N171-G173 PolarHBondContact O-N 3.28Š|
| 174 | I | 95.8 | Very high | 95 | Very high | 127 Ų | 127 | 59.1 Ų | 59.1 | 65% | 0.651 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -100.4 | 124 | 177.8 | -56.7 | 173.6 | 0 | 0 | 0 | 109.6 | S170 N171 Q172 | S170-I174 CarbonylContact C-O 3.55Å; S170-I174 WeakPolarHBondContact CA-O 3.26Å; N171-I174 PolarHBondContact N-O 2.92Å; N171-I174 PolarHBondContact O-N 3.23Å; Q172-I174 VanDerWaalsContact C-N 3.31Å; Q172-I174 PolarHBondContact O-N 3.02Å |
| 175 | F | 96.9 | Very high | 95.3 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | trans | -86.4 | 122.2 | 174.8 | -70.4 | -95 | 0 | 0 | 0 | 109.7 | I168 C177 Q180 | I168-F175 HydrophobicContact CG2-CD1 4.46Å; I168-F175 WeakPolarHBondContact O-CE1 3.25Å; F175-C177 VanDerWaalsContact C-N 3.32Å; F175-Q180 HydrophobicContact CB-CB 4.04Å; F175-Q180 HydrophobicContact CD1-CB 3.96Å; F175-Q180 HydrophobicContact CD1-CG 3.8Å; F175-Q180 HydrophobicContact CD2-CB 3.82Å; F175-Q180 HydrophobicContact CD2-CG 4.01Å; F175-Q180 HydrophobicContact CE1-CB 4.37Å; F175-Q180 HydrophobicContact CE1-CG 3.72Å; F175-Q180 HydrophobicContact CE2-CB 4.25Å; F175-Q180 HydrophobicContact CE2-CG 3.94Å; F175-Q180 HydrophobicContact CG-CB 3.67Å; F175-Q180 HydrophobicContact CG-CG 3.95Å; F175-Q180 HydrophobicContact CZ-CG 3.79Å | ||
| 176 | P | 95.9 | Very high | 95.6 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -76.9 | -20.9 | 178.9 | 31 | -35.3 | 0 | 0 | 0 | 113 | I168 | I168-P176 HydrophobicContact CG2-CG 4.29Š|
| 177 | C | 96.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -164.7 | -179.9 | 177.9 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | I168 F175 C181 | I168-C177 WeakPolarHBondContact CG2-O 3.3Å; F175-C177 VanDerWaalsContact C-N 3.32Å; C177-C181 VanDerWaalsContact C-SG 3.52Å; C177-C181 VanDerWaalsContact CA-SG 3.51Å |
| 178 | G | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 101.5 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S165 Q180 C181 | S165-G178 VanDerWaalsContact O-CA 3.26Å; S165-G178 WeakPolarHBondContact O-CA 3.35Å; G178-Q180 PolarHBondContact O-N 3.38Å; G178-Q180 VanDerWaalsContact O-N 3.14Å; G178-C181 WeakPolarHBondContact O-CB 3.41Å; G178-C181 PolarHBondContact O-N 2.98Å |
| 179 | L | 97 | Very high | 96.4 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -60.9 | -24.2 | -176.4 | -75.1 | 170.8 | 0 | 0 | 0 | 113 | Y161 S165 A166 C181 V182 F205 W215 | Y161-L179 HydrophobicContact CD2-CD2 4.3Å; S165-L179 PolarHBondContact O-N 3.48Å; A166-L179 HydrophobicContact CB-CD1 4.49Å; L179-C181 PolarHBondContact O-N 2.85Å; L179-V182 HydrophobicContact CD2-CG2 4.4Å; L179-V182 WeakPolarHBondContact O-CB 3.28Å; L179-V182 PolarHBondContact O-N 3.17Å; L179-V182 VanDerWaalsContact O-N 3.09Å; L179-F205 HydrophobicContact CB-CB 3.71Å; L179-F205 HydrophobicContact CB-CD1 4.47Å; L179-F205 HydrophobicContact CB-CD2 4.09Å; L179-F205 HydrophobicContact CB-CG 3.85Å; L179-F205 HydrophobicContact CD1-CD1 4.37Å; L179-F205 HydrophobicContact CD2-CD2 4.09Å; L179-F205 HydrophobicContact CD2-CE2 4.14Å; L179-F205 HydrophobicContact CD2-CG 4.42Å; L179-F205 HydrophobicContact CD2-CZ 4.5Å; L179-W215 HydrophobicContact CB-CH2 4.34Å; L179-W215 HydrophobicContact CB-CZ2 4.37Å; L179-W215 HydrophobicContact CD1-CH2 4.37Å; L179-W215 HydrophobicContact CD1-CZ2 3.62Å |
| 180 | Q | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.1 | -20.8 | 173.9 | -65.2 | 82.7 | -3.5 | 0 | 0 | 113.6 | F175 G178 V182 Q203 F205 | F175-Q180 HydrophobicContact CB-CB 4.04Å; F175-Q180 HydrophobicContact CD1-CB 3.96Å; F175-Q180 HydrophobicContact CD1-CG 3.8Å; F175-Q180 HydrophobicContact CD2-CB 3.82Å; F175-Q180 HydrophobicContact CD2-CG 4.01Å; F175-Q180 HydrophobicContact CE1-CB 4.37Å; F175-Q180 HydrophobicContact CE1-CG 3.72Å; F175-Q180 HydrophobicContact CE2-CB 4.25Å; F175-Q180 HydrophobicContact CE2-CG 3.94Å; F175-Q180 HydrophobicContact CG-CB 3.67Å; F175-Q180 HydrophobicContact CG-CG 3.95Å; F175-Q180 HydrophobicContact CZ-CG 3.79Å; G178-Q180 PolarHBondContact O-N 3.38Å; G178-Q180 VanDerWaalsContact O-N 3.14Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; Q180-Q203 PolarHBondContact O-NE2 3.08Å; Q180-Q203 VanDerWaalsContact O-NE2 3.11Å; Q180-F205 WeakPolarHBondContact CA-O 3.26Å; Q180-F205 WeakPolarHBondContact CG-O 3.42Å |
| 181 | C | 97.6 | Very high | 96.8 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 22% | 0.223 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -82.3 | -9.4 | 177.6 | -60 | 0 | 0 | 0 | 0 | 113.3 | S157 Q160 C177 G178 L179 | S157-C181 WeakPolarHBondContact CB-O 3.5Å; Q160-C181 HydrophobicContact CB-CB 4.38Å; Q160-C181 HydrophobicContact CG-CB 4.07Å; C177-C181 VanDerWaalsContact C-SG 3.52Å; C177-C181 VanDerWaalsContact CA-SG 3.51Å; G178-C181 WeakPolarHBondContact O-CB 3.41Å; G178-C181 PolarHBondContact O-N 2.98Å; L179-C181 PolarHBondContact O-N 2.85Å |
| 182 | V | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | trans | -80.9 | 132.2 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | I155 Q160 Y161 L179 Q180 P204 F205 | I155-V182 HydrophobicContact CG2-CG1 3.55Å; Q160-V182 HydrophobicContact CB-CG2 4.23Å; Y161-V182 HydrophobicContact CD2-CG1 4.18Å; Y161-V182 HydrophobicContact CD2-CG2 4.31Å; L179-V182 HydrophobicContact CD2-CG2 4.4Å; L179-V182 WeakPolarHBondContact O-CB 3.28Å; L179-V182 PolarHBondContact O-N 3.17Å; L179-V182 VanDerWaalsContact O-N 3.09Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; V182-P204 WeakPolarHBondContact O-CD 3.45Å; V182-F205 HydrophobicContact CB-CD2 4.19Å; V182-F205 HydrophobicContact CG1-CD2 4.45Å; V182-F205 HydrophobicContact CG1-CE2 4.37Å | ||
| 183 | T | 98.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151.9 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | D156 L185 I201 N202 Q203 | D156-T183 WeakPolarHBondContact CB-O 3.36Å; D156-T183 PolarHBondContact N-O 3.17Å; D156-T183 PolarHBondContact O-N 3.18Å; D156-T183 PolarHBondContact OD2-OG1 2.99Å; T183-L185 VanDerWaalsContact OG1-CD2 3.3Å; T183-L185 WeakPolarHBondContact OG1-CD2 3.4Å; T183-I201 HydrophobicContact CG2-CG2 4.31Å; T183-N202 CarbonylContact C-O 3.57Å; T183-N202 WeakPolarHBondContact CA-O 3.49Å; T183-Q203 HydrophobicContact CG2-CG 4.01Å |
| 184 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.8 | 166 | -61.7 | 155.5 | 0 | 0 | 0 | 105.7 | A15 A16 I61 P154 I186 I201 N202 P204 | A15-I184 HydrophobicContact CB-CD1 3.72Å; A15-I184 HydrophobicContact CB-CG1 4.44Å; A15-I184 HydrophobicContact CB-CG2 4.17Å; A16-I184 VanDerWaalsContact CA-CD1 3.4Å; A16-I184 HydrophobicContact CB-CD1 3.72Å; I61-I184 HydrophobicContact CD1-CG2 4.43Å; P154-I184 VanDerWaalsContact O-CG1 3.32Å; P154-I184 WeakPolarHBondContact O-CG1 3.38Å; I184-I186 HydrophobicContact CG2-CG1 4.42Å; I184-I201 WeakPolarHBondContact O-CA 3.4Å; I184-N202 HydrophobicContact CB-CB 4.3Å; I184-N202 HydrophobicContact CD1-CB 4.48Å; I184-N202 PolarHBondContact N-O 3.24Å; I184-N202 PolarHBondContact O-N 2.96Å; I184-P204 HydrophobicContact CD1-CG 3.81Å; I184-P204 HydrophobicContact CG1-CG 4.29Å |
| 185 | L | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.6 | -175.3 | -51 | 173.7 | 0 | 0 | 0 | 109.4 | V152 D153 D156 T183 I201 | V152-L185 WeakPolarHBondContact CA-O 3.27Å; D153-L185 HydrophobicContact CB-CB 3.83Å; D153-L185 HydrophobicContact CB-CD1 4.07Å; D153-L185 HydrophobicContact CB-CG 4.18Å; D153-L185 PolarHBondContact N-O 2.87Å; D153-L185 PolarHBondContact O-N 2.8Å; D156-L185 HydrophobicContact CB-CD1 4.06Å; D156-L185 HydrophobicContact CB-CG 4.41Å; T183-L185 VanDerWaalsContact OG1-CD2 3.3Å; T183-L185 WeakPolarHBondContact OG1-CD2 3.4Å; L185-I201 HydrophobicContact CD2-CB 4.3Å; L185-I201 HydrophobicContact CD2-CD1 4.41Å; L185-I201 HydrophobicContact CD2-CG1 3.86Å; L185-I201 HydrophobicContact CD2-CG2 3.93Å |
| 186 | I | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 107.4 | 171.5 | -46.1 | 170.3 | 0 | 0 | 0 | 108.2 | L8 V11 I61 I150 V152 I184 G199 V200 | L8-I186 HydrophobicContact CD2-CD1 4.4Å; L8-I186 HydrophobicContact CD2-CG2 3.63Å; V11-I186 HydrophobicContact CG2-CD1 4.16Å; I61-I186 HydrophobicContact CD1-CD1 3.83Å; I61-I186 HydrophobicContact CD1-CG1 4.17Å; I61-I186 HydrophobicContact CG1-CD1 4.22Å; I61-I186 HydrophobicContact CG2-CD1 4.2Å; I150-I186 HydrophobicContact CG2-CG2 3.64Å; V152-I186 HydrophobicContact CG2-CG2 4.27Å; I184-I186 HydrophobicContact CG2-CG1 4.42Å; I186-G199 WeakPolarHBondContact O-CA 3.42Å; I186-V200 HydrophobicContact CB-CB 4.41Å; I186-V200 PolarHBondContact N-O 3.14Å; I186-V200 PolarHBondContact O-N 2.99Å |
| 187 | G | 98 | Very high | 97.5 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I150 W151 | I150-G187 CarbonylContact C-O 3.56Å; I150-G187 VanDerWaalsContact CA-O 3.31Å; I150-G187 WeakPolarHBondContact CA-O 3.4Å; W151-G187 PolarHBondContact N-O 3.43Å; W151-G187 PolarHBondContact O-N 3.27Å |
| 188 | V | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.3 | 170.6 | -167 | 0 | 0 | 0 | 0 | 108.9 | L8 L148 G149 I150 L197 M198 | L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L148-V188 HydrophobicContact CB-CG1 4.09Å; L148-V188 HydrophobicContact CD1-CG1 4.35Å; L148-V188 HydrophobicContact CD2-CG1 3.79Å; L148-V188 HydrophobicContact CG-CG1 4.29Å; G149-V188 CarbonylContact O-C 3.58Å; G149-V188 VanDerWaalsContact O-CA 3.31Å; G149-V188 WeakPolarHBondContact O-CA 3.49Å; G149-V188 WeakPolarHBondContact O-CG1 3.43Å; I150-V188 HydrophobicContact CG1-CG1 4.18Å; I150-V188 HydrophobicContact CG1-CG2 4.17Å; V188-L197 PolarHBondContact O-N 2.96Å; V188-M198 HydrophobicContact CB-CB 3.94Å; V188-M198 HydrophobicContact CB-CE 3.94Å; V188-M198 HydrophobicContact CG1-CE 3.7Å; V188-M198 HydrophobicContact CG2-CB 3.97Å; V188-M198 HydrophobicContact CG2-CE 4.05Å; V188-M198 PolarHBondContact N-O 3.05Å; V188-M198 PolarHBondContact O-N 3.38Å; V188-M198 VanDerWaalsContact O-N 3.17Å |
| 189 | Y | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.8 | -179.1 | 68.4 | -82.3 | 0 | 0 | 0 | 111.4 | G149 I191 V195 | G149-Y189 VanDerWaalsContact C-CE1 3.44Å; G149-Y189 PolarHBondContact N-O 2.83Å; G149-Y189 VanDerWaalsContact O-CD1 3.24Å; G149-Y189 WeakPolarHBondContact O-CD1 3.39Å; G149-Y189 PolarHBondContact O-N 3.48Å; Y189-I191 HydrophobicContact CE2-CG1 4.27Å; Y189-V195 CarbonylContact C-O 3.49Å; Y189-V195 VanDerWaalsContact CA-O 3.25Å; Y189-V195 WeakPolarHBondContact CA-O 3.09Å; Y189-V195 WeakPolarHBondContact CB-O 3.45Å |
| 190 | D | 97.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.9 | 172 | -178.9 | -63.5 | 0 | 0 | 0 | 109.5 | I147 Q192 T193 G194 V195 L197 | I147-D190 CarbonylContact O-C 3.57Å; I147-D190 WeakPolarHBondContact O-CA 3.31Å; D190-Q192 VanDerWaalsContact C-N 3.27Å; D190-Q192 PolarHBondContact O-N 3.43Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.48Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.11Å; D190-Q192 PolarHBondContact OD1-N 3.08Å; D190-T193 VanDerWaalsContact CB-OG1 3.26Å; D190-T193 WeakPolarHBondContact CB-OG1 3.35Å; D190-T193 VanDerWaalsContact CG-OG1 3.23Å; D190-T193 PolarHBondContact O-N 2.9Å; D190-T193 PolarHBondContact OD1-N 3.35Å; D190-T193 PolarHBondContact OD1-OG1 3.2Å; D190-T193 VanDerWaalsContact OD1-OG1 3.14Å; D190-G194 VanDerWaalsContact O-CA 3.24Å; D190-G194 WeakPolarHBondContact O-CA 3.46Å; D190-G194 PolarHBondContact O-N 2.84Å; D190-V195 PolarHBondContact N-O 2.83Å; D190-L197 HydrophobicContact CB-CD1 3.95Å; D190-L197 HydrophobicContact CB-CD2 4.29Å; D190-L197 HydrophobicContact CB-CG 4.15Å |
| 191 | I | 97.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 42.6 Ų | 42.6 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.3 | -175.5 | -67.3 | 171.4 | 0 | 0 | 0 | 112.2 | N75 I147 L148 Y189 | N75-I191 HydrophobicContact CB-CD1 4.1Å; N75-I191 VanDerWaalsContact ND2-CD1 3.34Å; N75-I191 WeakPolarHBondContact ND2-CD1 3.35Å; I147-I191 PolarHBondContact O-N 2.9Å; L148-I191 VanDerWaalsContact C-CD1 3.41Å; L148-I191 WeakPolarHBondContact O-CD1 3.45Å; Y189-I191 HydrophobicContact CE2-CG1 4.27Å |
| 192 | Q | 96.7 | Very high | 97.6 | Very high | 163 Ų | 163 | 41 Ų | 41 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -37.2 | -176.1 | -59.3 | -178.5 | 16.8 | 0 | 0 | 111.6 | D190 | D190-Q192 VanDerWaalsContact C-N 3.27Å; D190-Q192 PolarHBondContact O-N 3.43Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.48Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.11Å; D190-Q192 PolarHBondContact OD1-N 3.08Å |
| 193 | T | 97.1 | Very high | 97.6 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -19.6 | -173.3 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | D190 V195 | D190-T193 VanDerWaalsContact CB-OG1 3.26Å; D190-T193 WeakPolarHBondContact CB-OG1 3.35Å; D190-T193 VanDerWaalsContact CG-OG1 3.23Å; D190-T193 PolarHBondContact O-N 2.9Å; D190-T193 PolarHBondContact OD1-N 3.35Å; D190-T193 PolarHBondContact OD1-OG1 3.2Å; D190-T193 VanDerWaalsContact OD1-OG1 3.14Å; T193-V195 PolarHBondContact O-N 2.84Å; T193-V195 PolarHBondContact OG1-N 2.83Å |
| 194 | G | 96.9 | Very high | 97.5 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | trans | 75.1 | 4.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D190 | D190-G194 VanDerWaalsContact O-CA 3.24Å; D190-G194 WeakPolarHBondContact O-CA 3.46Å; D190-G194 PolarHBondContact O-N 2.84Å | ||
| 195 | V | 97.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | trans | -77.2 | 132.6 | -175.2 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | Y189 D190 T193 L197 | Y189-V195 CarbonylContact C-O 3.49Å; Y189-V195 VanDerWaalsContact CA-O 3.25Å; Y189-V195 WeakPolarHBondContact CA-O 3.09Å; Y189-V195 WeakPolarHBondContact CB-O 3.45Å; D190-V195 PolarHBondContact N-O 2.83Å; T193-V195 PolarHBondContact O-N 2.84Å; T193-V195 PolarHBondContact OG1-N 2.83Å; V195-L197 PolarHBondContact O-N 2.81Å | ||
| 196 | P | 97.7 | Very high | 97.4 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130.2 | 174 | 28.7 | -34.4 | 0 | 0 | 0 | 111 | ||
| 197 | L | 96.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -41 | -176.4 | -60 | -176.4 | 0 | 0 | 0 | 112.6 | V143 I147 L148 V188 D190 V195 L223 S224 Y225 | V143-L197 HydrophobicContact CG1-CD1 4.02Å; I147-L197 HydrophobicContact CD1-CD1 4.38Å; L148-L197 HydrophobicContact CD2-CD1 3.65Å; V188-L197 PolarHBondContact O-N 2.96Å; D190-L197 HydrophobicContact CB-CD1 3.95Å; D190-L197 HydrophobicContact CB-CD2 4.29Å; D190-L197 HydrophobicContact CB-CG 4.15Å; V195-L197 PolarHBondContact O-N 2.81Å; L197-L223 CarbonylContact O-C 3.59Å; L197-L223 WeakPolarHBondContact O-CA 3.39Å; L197-S224 PolarHBondContact O-N 3.36Å; L197-Y225 HydrophobicContact CD2-CD2 4.19Å |
| 198 | M | 96.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.1 | -179.8 | -58.9 | 173.7 | -80.6 | 0 | 0 | 109.9 | I4 L5 L148 V188 G222 L223 | I4-M198 HydrophobicContact CG2-CE 4.16Å; L5-M198 HydrophobicContact CB-SD 3.98Å; L5-M198 HydrophobicContact CD1-CB 4.37Å; L148-M198 HydrophobicContact CD1-CE 4.13Å; L148-M198 HydrophobicContact CD2-CE 4.28Å; V188-M198 HydrophobicContact CB-CB 3.94Å; V188-M198 HydrophobicContact CB-CE 3.94Å; V188-M198 HydrophobicContact CG1-CE 3.7Å; V188-M198 HydrophobicContact CG2-CB 3.97Å; V188-M198 HydrophobicContact CG2-CE 4.05Å; V188-M198 PolarHBondContact N-O 3.05Å; V188-M198 PolarHBondContact O-N 3.38Å; V188-M198 VanDerWaalsContact O-N 3.17Å; M198-G222 CarbonylContact C-O 3.56Å; M198-G222 VanDerWaalsContact CA-O 3.28Å; M198-G222 WeakPolarHBondContact CA-O 3.42Å; M198-L223 HydrophobicContact CG-CB 4.19Å; M198-L223 HydrophobicContact CG-CD1 4.01Å; M198-L223 HydrophobicContact CG-CG 3.91Å; M198-L223 HydrophobicContact SD-CD1 4.06Å |
| 199 | G | 97.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 142 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I186 W221 G222 | I186-G199 WeakPolarHBondContact O-CA 3.42Å; G199-W221 CarbonylContact O-C 3.11Å; G199-W221 WeakPolarHBondContact O-CA 3.36Å; G199-G222 PolarHBondContact N-O 2.81Å; G199-G222 PolarHBondContact O-N 3.34Å |
| 200 | V | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.6 | 169.4 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L5 L8 L9 I186 Y220 W221 | L5-V200 HydrophobicContact CD1-CG2 3.66Å; L8-V200 HydrophobicContact CB-CG2 3.86Å; L9-V200 HydrophobicContact CD2-CG1 3.9Å; L9-V200 HydrophobicContact CD2-CG2 4.09Å; L9-V200 HydrophobicContact CG-CG2 4.21Å; I186-V200 HydrophobicContact CB-CB 4.41Å; I186-V200 PolarHBondContact N-O 3.14Å; I186-V200 PolarHBondContact O-N 2.99Å; V200-Y220 WeakPolarHBondContact CA-O 3.42Å; V200-W221 HydrophobicContact CG2-CB 4.33Å |
| 201 | I | 98.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116 | 171.5 | -57.5 | 177.7 | 0 | 0 | 0 | 106.7 | T183 I184 L185 C219 Y220 | T183-I201 HydrophobicContact CG2-CG2 4.31Å; I184-I201 WeakPolarHBondContact O-CA 3.4Å; L185-I201 HydrophobicContact CD2-CB 4.3Å; L185-I201 HydrophobicContact CD2-CD1 4.41Å; L185-I201 HydrophobicContact CD2-CG1 3.86Å; L185-I201 HydrophobicContact CD2-CG2 3.93Å; I201-C219 WeakPolarHBondContact O-CA 3.17Å; I201-Y220 PolarHBondContact N-O 3.01Å; I201-Y220 PolarHBondContact O-N 3.43Å |
| 202 | N | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.4 | 174.1 | -168 | -36.1 | 0 | 0 | 0 | 109.4 | S12 E13 T183 I184 P204 | S12-N202 PolarHBondContact O-ND2 2.79Å; S12-N202 PolarHBondContact OG-ND2 3.08Å; E13-N202 WeakPolarHBondContact CA-ND2 3.29Å; E13-N202 PolarHBondContact OE2-ND2 2.74Å; T183-N202 CarbonylContact C-O 3.57Å; T183-N202 WeakPolarHBondContact CA-O 3.49Å; I184-N202 HydrophobicContact CB-CB 4.3Å; I184-N202 HydrophobicContact CD1-CB 4.48Å; I184-N202 PolarHBondContact N-O 3.24Å; I184-N202 PolarHBondContact O-N 2.96Å; N202-P204 WeakPolarHBondContact O-CD 3.32Å |
| 203 | Q | 97.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 105.6 | 173.6 | -59.8 | -164.4 | -87.1 | 0 | 0 | 108.7 | Q180 T183 F205 V206 G217 Q218 Y220 | Q180-Q203 PolarHBondContact O-NE2 3.08Å; Q180-Q203 VanDerWaalsContact O-NE2 3.11Å; T183-Q203 HydrophobicContact CG2-CG 4.01Å; Q203-F205 PolarHBondContact O-N 3.46Å; Q203-V206 HydrophobicContact CB-CG2 3.73Å; Q203-G217 CarbonylContact O-C 3.5Å; Q203-G217 WeakPolarHBondContact O-CA 3.43Å; Q203-Q218 PolarHBondContact N-O 2.75Å; Q203-Q218 PolarHBondContact O-N 3.16Å; Q203-Y220 HydrophobicContact CG-CE2 4.21Å; Q203-Y220 PolarHBondContact OE1-OH 2.76Å |
| 204 | P | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -21.9 | -172.9 | -20.3 | 33.3 | 0 | 0 | 0 | 113.8 | A16 A19 R20 V182 I184 N202 | A16-P204 HydrophobicContact CB-CB 3.93Å; A16-P204 HydrophobicContact CB-CG 3.97Å; A19-P204 HydrophobicContact CB-CB 4.47Å; A19-P204 HydrophobicContact CB-CG 4.3Å; R20-P204 WeakPolarHBondContact CD-O 3.35Å; R20-P204 HydrophobicContact CG-CB 4.23Å; R20-P204 PolarHBondContact NH1-O 3.18Å; V182-P204 WeakPolarHBondContact O-CD 3.45Å; I184-P204 HydrophobicContact CD1-CG 3.81Å; I184-P204 HydrophobicContact CG1-CG 4.29Å; N202-P204 WeakPolarHBondContact O-CD 3.32Å |
| 205 | F | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 70.8 | -167 | -53.7 | -75.4 | 0 | 0 | 0 | 112.5 | R20 Y161 L179 Q180 V182 Q203 W215 | R20-F205 HydrophobicContact CB-CE1 4.37Å; R20-F205 HydrophobicContact CG-CD1 4.2Å; R20-F205 HydrophobicContact CG-CE1 3.65Å; R20-F205 HydrophobicContact CG-CZ 4.09Å; Y161-F205 AromaticContact CD2-CE2 3.84Å; Y161-F205 HydrophobicContact CD2-CE2 3.84Å; Y161-F205 HydrophobicContact CD2-CZ 4.28Å; Y161-F205 AromaticContact CE2-CE2 3.76Å; Y161-F205 HydrophobicContact CE2-CE2 3.76Å; Y161-F205 AromaticContact CE2-CZ 3.8Å; Y161-F205 HydrophobicContact CE2-CZ 3.8Å; L179-F205 HydrophobicContact CB-CB 3.71Å; L179-F205 HydrophobicContact CB-CD1 4.47Å; L179-F205 HydrophobicContact CB-CD2 4.09Å; L179-F205 HydrophobicContact CB-CG 3.85Å; L179-F205 HydrophobicContact CD1-CD1 4.37Å; L179-F205 HydrophobicContact CD2-CD2 4.09Å; L179-F205 HydrophobicContact CD2-CE2 4.14Å; L179-F205 HydrophobicContact CD2-CG 4.42Å; L179-F205 HydrophobicContact CD2-CZ 4.5Å; Q180-F205 WeakPolarHBondContact CA-O 3.26Å; Q180-F205 WeakPolarHBondContact CG-O 3.42Å; V182-F205 HydrophobicContact CB-CD2 4.19Å; V182-F205 HydrophobicContact CG1-CD2 4.45Å; V182-F205 HydrophobicContact CG1-CE2 4.37Å; Q203-F205 PolarHBondContact O-N 3.46Å; F205-W215 HydrophobicContact CB-CD2 4.07Å; F205-W215 HydrophobicContact CB-CE3 3.76Å; F205-W215 HydrophobicContact CB-CH2 4.46Å; F205-W215 HydrophobicContact CB-CZ3 3.98Å; F205-W215 HydrophobicContact CD1-CB 3.96Å; F205-W215 AromaticContact CD1-CD1 3.65Å; F205-W215 AromaticContact CD1-CD2 3.66Å; F205-W215 HydrophobicContact CD1-CD2 3.66Å; F205-W215 AromaticContact CD1-CE2 3.87Å; F205-W215 HydrophobicContact CD1-CE3 4.24Å; F205-W215 AromaticContact CD1-CG 3.52Å; F205-W215 HydrophobicContact CD1-CG 3.52Å; F205-W215 AromaticContact CD1-NE1 3.86Å; F205-W215 AromaticContact CE1-CD1 3.95Å; F205-W215 HydrophobicContact CE1-CG 4.19Å; F205-W215 HydrophobicContact CG-CD2 4.36Å |
| 206 | V | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -53.6 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | Q203 K216 Q218 | Q203-V206 HydrophobicContact CB-CG2 3.73Å; V206-K216 PolarHBondContact N-O 2.66Å; V206-Q218 HydrophobicContact CB-CB 4.39Å; V206-Q218 HydrophobicContact CG2-CB 3.56Å |
| 207 | S | 93.7 | Very high | 94.6 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.9 | 179.2 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | W215 K216 | S207-W215 CarbonylContact O-C 3.57Å; S207-W215 WeakPolarHBondContact O-CA 3.16Å; S207-K216 PolarHBondContact N-O 3.39Å; S207-K216 PolarHBondContact O-N 3.2Å |
| 208 | R | 93.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 56 Ų | 56 | 43% | 0.434 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.8 | 176.2 | -161.1 | 173.4 | 85.3 | 179 | 4.1 | 109.5 | A166 R214 W215 | A166-R208 VanDerWaalsContact CB-NH1 3.31Å; R208-R214 WeakPolarHBondContact CA-O 3.21Å; R208-W215 HydrophobicContact CB-CD2 3.89Å; R208-W215 HydrophobicContact CB-CE3 3.77Å; R208-W215 HydrophobicContact CB-CH2 4.05Å; R208-W215 HydrophobicContact CB-CZ2 4.16Å; R208-W215 HydrophobicContact CB-CZ3 3.86Å; R208-W215 HydrophobicContact CG-CD2 3.94Å; R208-W215 HydrophobicContact CG-CE3 4.35Å; R208-W215 HydrophobicContact CG-CG 4.32Å; R208-W215 HydrophobicContact CG-CZ2 4.29Å |
| 209 | D | 90.8 | Very high | 94.5 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | -67.1 | 124.8 | 172.9 | -177.6 | -68 | 0 | 0 | 0 | 109.2 | N211 T212 L213 R214 | D209-N211 VanDerWaalsContact C-N 3.26Å; D209-N211 PolarHBondContact O-N 3.35Å; D209-N211 WeakPolarHBondContact OD1-CA 3.37Å; D209-N211 WeakPolarHBondContact OD1-CB 3.36Å; D209-N211 PolarHBondContact OD1-N 3.48Å; D209-T212 VanDerWaalsContact CB-OG1 3.29Å; D209-T212 WeakPolarHBondContact CB-OG1 3.36Å; D209-T212 VanDerWaalsContact CG-OG1 3.29Å; D209-T212 PolarHBondContact OD1-N 3.22Å; D209-T212 PolarHBondContact OD1-OG1 2.65Å; D209-L213 WeakPolarHBondContact O-CA 3.43Å; D209-L213 PolarHBondContact O-N 3.38Å; D209-R214 PolarHBondContact N-O 3.22Å | ||
| 210 | P | 88.4 | Confident | 94.4 | Very high | 104 Ų | 104 | 58 Ų | 58 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.7 | -174.1 | 28.3 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 211 | N | 91.5 | Very high | 94.3 | Very high | 146 Ų | 146 | 58.5 Ų | 58.5 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -43.3 | -177.3 | -59.1 | -46.2 | 0 | 0 | 0 | 111.6 | D209 | D209-N211 VanDerWaalsContact C-N 3.26Å; D209-N211 PolarHBondContact O-N 3.35Å; D209-N211 WeakPolarHBondContact OD1-CA 3.37Å; D209-N211 WeakPolarHBondContact OD1-CB 3.36Å; D209-N211 PolarHBondContact OD1-N 3.48Å |
| 212 | T | 91.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 49% | 0.485 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -12.4 | -176.7 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | D209 R214 | D209-T212 VanDerWaalsContact CB-OG1 3.29Å; D209-T212 WeakPolarHBondContact CB-OG1 3.36Å; D209-T212 VanDerWaalsContact CG-OG1 3.29Å; D209-T212 PolarHBondContact OD1-N 3.22Å; D209-T212 PolarHBondContact OD1-OG1 2.65Å; T212-R214 PolarHBondContact O-N 2.67Å; T212-R214 VanDerWaalsContact O-N 3.08Å; T212-R214 PolarHBondContact OG1-N 2.99Å |
| 213 | L | 89.6 | Confident | 94 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | trans | 58.7 | 13.7 | -173.6 | -53.6 | 178.1 | 0 | 0 | 0 | 114 | D209 | D209-L213 WeakPolarHBondContact O-CA 3.43Å; D209-L213 PolarHBondContact O-N 3.38Å | ||
| 214 | R | 92 | Very high | 93.9 | Very high | 174 Ų | 174 | 57.1 Ų | 57.1 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | trans | -80.2 | 139.7 | 178.2 | -67.2 | -176.2 | 179.7 | -172.8 | -0.4 | 110.8 | R208 D209 T212 | R208-R214 WeakPolarHBondContact CA-O 3.21Å; D209-R214 PolarHBondContact N-O 3.22Å; T212-R214 PolarHBondContact O-N 2.67Å; T212-R214 VanDerWaalsContact O-N 3.08Å; T212-R214 PolarHBondContact OG1-N 2.99Å | ||
| 215 | W | 95.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141.4 | 173.6 | -70.5 | 101.9 | 0 | 0 | 0 | 110.6 | R20 A166 L179 F205 S207 R208 | R20-W215 HydrophobicContact CG-CB 4.37Å; A166-W215 HydrophobicContact CB-CH2 4.01Å; A166-W215 HydrophobicContact CB-CZ2 3.59Å; L179-W215 HydrophobicContact CB-CH2 4.34Å; L179-W215 HydrophobicContact CB-CZ2 4.37Å; L179-W215 HydrophobicContact CD1-CH2 4.37Å; L179-W215 HydrophobicContact CD1-CZ2 3.62Å; F205-W215 HydrophobicContact CB-CD2 4.07Å; F205-W215 HydrophobicContact CB-CE3 3.76Å; F205-W215 HydrophobicContact CB-CH2 4.46Å; F205-W215 HydrophobicContact CB-CZ3 3.98Å; F205-W215 HydrophobicContact CD1-CB 3.96Å; F205-W215 AromaticContact CD1-CD1 3.65Å; F205-W215 AromaticContact CD1-CD2 3.66Å; F205-W215 HydrophobicContact CD1-CD2 3.66Å; F205-W215 AromaticContact CD1-CE2 3.87Å; F205-W215 HydrophobicContact CD1-CE3 4.24Å; F205-W215 AromaticContact CD1-CG 3.52Å; F205-W215 HydrophobicContact CD1-CG 3.52Å; F205-W215 AromaticContact CD1-NE1 3.86Å; F205-W215 AromaticContact CE1-CD1 3.95Å; F205-W215 HydrophobicContact CE1-CG 4.19Å; F205-W215 HydrophobicContact CG-CD2 4.36Å; S207-W215 CarbonylContact O-C 3.57Å; S207-W215 WeakPolarHBondContact O-CA 3.16Å; R208-W215 HydrophobicContact CB-CD2 3.89Å; R208-W215 HydrophobicContact CB-CE3 3.77Å; R208-W215 HydrophobicContact CB-CH2 4.05Å; R208-W215 HydrophobicContact CB-CZ2 4.16Å; R208-W215 HydrophobicContact CB-CZ3 3.86Å; R208-W215 HydrophobicContact CG-CD2 3.94Å; R208-W215 HydrophobicContact CG-CE3 4.35Å; R208-W215 HydrophobicContact CG-CG 4.32Å; R208-W215 HydrophobicContact CG-CZ2 4.29Å |
| 216 | K | 94.4 | Very high | 93.5 | Very high | 110 Ų | 110 | 66.4 Ų | 66.4 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.2 | 165.1 | -62.3 | -177 | -179.7 | -178 | 0 | 108.9 | V206 S207 L237 | V206-K216 PolarHBondContact N-O 2.66Å; S207-K216 PolarHBondContact N-O 3.39Å; S207-K216 PolarHBondContact O-N 3.2Å; K216-L237 CarbonylContact C-O 3.44Å; K216-L237 WeakPolarHBondContact CA-O 3.32Å |
| 217 | G | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q203 L237 | Q203-G217 CarbonylContact O-C 3.5Å; Q203-G217 WeakPolarHBondContact O-CA 3.43Å; G217-L237 PolarHBondContact N-O 3.41Å; G217-L237 PolarHBondContact O-N 2.82Å |
| 218 | Q | 95.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 68.5 Ų | 68.5 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 133.8 | 170.5 | -167.7 | 163.3 | -52.7 | 0 | 0 | 110.3 | Q203 V206 Y220 P234 H235 H236 | Q203-Q218 PolarHBondContact N-O 2.75Å; Q203-Q218 PolarHBondContact O-N 3.16Å; V206-Q218 HydrophobicContact CB-CB 4.39Å; V206-Q218 HydrophobicContact CG2-CB 3.56Å; Q218-Y220 HydrophobicContact CB-CE2 4.39Å; Q218-Y220 HydrophobicContact CG-CE2 3.98Å; Q218-Y220 PolarHBondContact NE2-OH 3.14Å; Q218-P234 HydrophobicContact CG-CB 3.38Å; Q218-H235 VanDerWaalsContact CA-O 3.25Å; Q218-H235 WeakPolarHBondContact CA-O 3.32Å; Q218-H236 PolarHBondContact OE1-CE1 3.32Å; Q218-H236 PolarHBondContact OE1-ND1 3.48Å |
| 219 | C | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.3 | 179.5 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | L9 F131 I201 P234 H235 L237 | L9-C219 WeakPolarHBondContact CD2-SG 3.25Å; F131-C219 HydrophobicContact CE2-CB 4.46Å; I201-C219 WeakPolarHBondContact O-CA 3.17Å; C219-P234 WeakPolarHBondContact O-CA 3.46Å; C219-H235 PolarHBondContact N-O 2.92Å; C219-H235 VanDerWaalsContact N-O 3.08Å; C219-H235 PolarHBondContact O-N 2.98Å; C219-H235 VanDerWaalsContact O-N 3.16Å; C219-L237 HydrophobicContact CB-CD1 3.53Å |
| 220 | Y | 95.1 | Very high | 92.8 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.2 | 177.4 | -55.4 | -99.9 | 0 | 0 | 0 | 109.1 | V200 I201 Q203 Q218 P234 | V200-Y220 WeakPolarHBondContact CA-O 3.42Å; I201-Y220 PolarHBondContact N-O 3.01Å; I201-Y220 PolarHBondContact O-N 3.43Å; Q203-Y220 HydrophobicContact CG-CE2 4.21Å; Q203-Y220 PolarHBondContact OE1-OH 2.76Å; Q218-Y220 HydrophobicContact CB-CE2 4.39Å; Q218-Y220 HydrophobicContact CG-CE2 3.98Å; Q218-Y220 PolarHBondContact NE2-OH 3.14Å; Y220-P234 HydrophobicContact CD1-CB 4.14Å; Y220-P234 HydrophobicContact CD1-CG 4.43Å; Y220-P234 HydrophobicContact CE1-CB 3.71Å; Y220-P234 HydrophobicContact CE1-CG 3.84Å |
| 221 | W | 95.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 64.5 Ų | 64.5 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.2 | 173.1 | 61.4 | -92.5 | 0 | 0 | 0 | 112.6 | L5 L9 D133 T135 L136 G199 V200 T230 G231 G232 | L5-W221 HydrophobicContact CD1-CB 4.3Å; L5-W221 HydrophobicContact CD2-CD2 4.3Å; L5-W221 HydrophobicContact CD2-CE3 3.63Å; L5-W221 HydrophobicContact CD2-CZ3 4.07Å; L9-W221 HydrophobicContact CD1-CG 4.09Å; L9-W221 HydrophobicContact CD2-CB 3.99Å; L9-W221 HydrophobicContact CD2-CG 4.16Å; D133-W221 WeakPolarHBondContact OD2-CZ2 3.44Å; D133-W221 PolarHBondContact OD2-NE1 3.24Å; T135-W221 HydrophobicContact CG2-CH2 4.24Å; T135-W221 HydrophobicContact CG2-CZ2 4.36Å; L136-W221 HydrophobicContact CB-CH2 4.19Å; L136-W221 HydrophobicContact CB-CZ2 3.77Å; L136-W221 HydrophobicContact CD1-CE3 4.46Å; L136-W221 HydrophobicContact CD1-CH2 4.01Å; L136-W221 HydrophobicContact CD1-CZ2 4.22Å; L136-W221 HydrophobicContact CD1-CZ3 4.13Å; G199-W221 CarbonylContact O-C 3.11Å; G199-W221 WeakPolarHBondContact O-CA 3.36Å; V200-W221 HydrophobicContact CG2-CB 4.33Å; W221-T230 HydrophobicContact CH2-CG2 4.47Å; W221-T230 HydrophobicContact CZ3-CG2 4.03Å; W221-G231 VanDerWaalsContact CZ3-CA 3.49Å; W221-G231 CarbonylContact O-C 3.45Å; W221-G231 WeakPolarHBondContact O-CA 3.17Å; W221-G232 VanDerWaalsContact CD2-N 3.34Å; W221-G232 VanDerWaalsContact NE1-CA 3.34Å; W221-G232 PolarHBondContact O-N 3.22Å |
| 222 | G | 95.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M198 G199 T230 | M198-G222 CarbonylContact C-O 3.56Å; M198-G222 VanDerWaalsContact CA-O 3.28Å; M198-G222 WeakPolarHBondContact CA-O 3.42Å; G199-G222 PolarHBondContact N-O 2.81Å; G199-G222 PolarHBondContact O-N 3.34Å; G222-T230 CarbonylContact C-O 3.57Å; G222-T230 WeakPolarHBondContact CA-O 3.42Å |
| 223 | L | 95 | Very high | 91.4 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.3 | 174.5 | -180 | 158.4 | 0 | 0 | 0 | 109.2 | L5 I141 L197 M198 N229 T230 | L5-L223 HydrophobicContact CD2-CB 4.14Å; L5-L223 HydrophobicContact CD2-CD1 4.25Å; I141-L223 HydrophobicContact CB-CD1 4.49Å; I141-L223 HydrophobicContact CD1-CD1 4.1Å; I141-L223 HydrophobicContact CD1-CD2 3.32Å; I141-L223 HydrophobicContact CD1-CG 4.37Å; I141-L223 HydrophobicContact CG2-CD1 4.39Å; I141-L223 HydrophobicContact CG2-CD2 4.43Å; L197-L223 CarbonylContact O-C 3.59Å; L197-L223 WeakPolarHBondContact O-CA 3.39Å; M198-L223 HydrophobicContact CG-CB 4.19Å; M198-L223 HydrophobicContact CG-CD1 4.01Å; M198-L223 HydrophobicContact CG-CG 3.91Å; M198-L223 HydrophobicContact SD-CD1 4.06Å; L223-N229 WeakPolarHBondContact O-CA 3.49Å; L223-T230 HydrophobicContact CB-CG2 4.02Å; L223-T230 HydrophobicContact CD2-CG2 4.27Å; L223-T230 PolarHBondContact N-O 3.02Å; L223-T230 PolarHBondContact O-N 3.08Å |
| 224 | S | 95.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 61.1 Ų | 61.1 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 106.8 | 171.6 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | L197 T228 N229 | L197-S224 PolarHBondContact O-N 3.36Å; S224-T228 WeakPolarHBondContact CA-O 3.35Å; S224-N229 WeakPolarHBondContact CB-OD1 3.45Å; S224-N229 PolarHBondContact OG-OD1 3Å |
| 225 | Y | 94.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 55 Ų | 55 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 127.9 | -179.4 | -176.3 | -111.2 | 0 | 0 | 0 | 111.4 | I141 V143 P144 I147 L197 G227 T228 | I141-Y225 HydrophobicContact CG2-CD1 3.88Å; V143-Y225 HydrophobicContact CG1-CD2 4.1Å; V143-Y225 HydrophobicContact CG1-CE2 3.91Å; V143-Y225 HydrophobicContact CG1-CG 4.49Å; V143-Y225 HydrophobicContact CG2-CD1 3.85Å; V143-Y225 HydrophobicContact CG2-CD2 4.32Å; V143-Y225 HydrophobicContact CG2-CE1 4.2Å; V143-Y225 HydrophobicContact CG2-CG 3.9Å; P144-Y225 WeakPolarHBondContact CD-OH 3.46Å; I147-Y225 HydrophobicContact CD1-CE2 4.29Å; L197-Y225 HydrophobicContact CD2-CD2 4.19Å; Y225-G227 VanDerWaalsContact C-N 3.27Å; Y225-G227 PolarHBondContact O-N 2.84Å; Y225-T228 PolarHBondContact N-O 3.3Å; Y225-T228 WeakPolarHBondContact O-CB 3.39Å; Y225-T228 PolarHBondContact O-N 3.07Å |
| 226 | M | 90.8 | Very high | 88.2 | Confident | 155 Ų | 155 | 60.4 Ų | 60.4 | 76% | 0.764 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.7 | 176.5 | -64.5 | -67 | 179.6 | 0 | 0 | 114.1 | T228 | M226-T228 PolarHBondContact O-N 3.11Š|
| 227 | G | 88 | Confident | 86.5 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 73% | 0.732 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -9.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y225 N229 | Y225-G227 VanDerWaalsContact C-N 3.27Å; Y225-G227 PolarHBondContact O-N 2.84Å; G227-N229 PolarHBondContact O-ND2 3.25Å |
| 228 | T | 88.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.7 | 171.2 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | I141 S224 Y225 M226 | I141-T228 HydrophobicContact CD1-CG2 3.37Å; I141-T228 HydrophobicContact CG1-CG2 4.26Å; S224-T228 WeakPolarHBondContact CA-O 3.35Å; Y225-T228 PolarHBondContact N-O 3.3Å; Y225-T228 WeakPolarHBondContact O-CB 3.39Å; Y225-T228 PolarHBondContact O-N 3.07Å; M226-T228 PolarHBondContact O-N 3.11Å |
| 229 | N | 92.2 | Very high | 85.6 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.2 | 175.1 | -63.7 | -78.1 | 0 | 0 | 0 | 108.6 | L223 S224 G227 | L223-N229 WeakPolarHBondContact O-CA 3.49Å; S224-N229 WeakPolarHBondContact CB-OD1 3.45Å; S224-N229 PolarHBondContact OG-OD1 3Å; G227-N229 PolarHBondContact O-ND2 3.25Å |
| 230 | T | 91.4 | Very high | 85.1 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 154.3 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 110 | T139 I141 W221 G222 L223 | T139-T230 HydrophobicContact CG2-CG2 3.9Å; I141-T230 HydrophobicContact CD1-CG2 4.38Å; W221-T230 HydrophobicContact CH2-CG2 4.47Å; W221-T230 HydrophobicContact CZ3-CG2 4.03Å; G222-T230 CarbonylContact C-O 3.57Å; G222-T230 WeakPolarHBondContact CA-O 3.42Å; L223-T230 HydrophobicContact CB-CG2 4.02Å; L223-T230 HydrophobicContact CD2-CG2 4.27Å; L223-T230 PolarHBondContact N-O 3.02Å; L223-T230 PolarHBondContact O-N 3.08Å |
| 231 | G | 88.1 | Confident | 84.5 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 151.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W221 | W221-G231 VanDerWaalsContact CZ3-CA 3.49Å; W221-G231 CarbonylContact O-C 3.45Å; W221-G231 WeakPolarHBondContact O-CA 3.17Å |
| 232 | G | 81.2 | Confident | 83.8 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 17% | 0.165 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 144.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W221 | W221-G232 VanDerWaalsContact CD2-N 3.34Å; W221-G232 VanDerWaalsContact NE1-CA 3.34Å; W221-G232 PolarHBondContact O-N 3.22Å |
| 233 | K | 73.3 | Confident | 83 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 75% | 0.752 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 157.7 | 157.8 | -78.2 | -173.3 | -177.7 | 178.9 | 0 | 109.3 | H235 | K233-H235 PolarHBondContact O-CD2 3.17Å; K233-H235 PolarHBondContact O-N 2.72Å |
| 234 | P | 70.1 | Confident | 82.2 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 40% | 0.396 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 126.5 | 178.8 | 7.2 | -8.1 | 0 | 0 | 0 | 111.5 | Q218 C219 Y220 | Q218-P234 HydrophobicContact CG-CB 3.38Å; C219-P234 WeakPolarHBondContact O-CA 3.46Å; Y220-P234 HydrophobicContact CD1-CB 4.14Å; Y220-P234 HydrophobicContact CD1-CG 4.43Å; Y220-P234 HydrophobicContact CE1-CB 3.71Å; Y220-P234 HydrophobicContact CE1-CG 3.84Å |
| 235 | H | 68.2 | Low | 81.2 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.6 | 174.3 | -73 | -79.8 | 0 | 0 | 0 | 109.8 | F131 D133 Q218 C219 K233 L237 | F131-H235 HydrophobicContact CE2-CB 4.03Å; F131-H235 HydrophobicContact CZ-CB 4.11Å; F131-H235 AromaticContact CZ-CD2 3.69Å; F131-H235 AromaticContact CZ-CG 3.91Å; D133-H235 IonicContact OD1-NE2 3.87Å; D133-H235 IonicContact OD2-CD2 3.41Å; D133-H235 PolarHBondContact OD2-CD2 3.24Å; D133-H235 IonicContact OD2-CE1 3.69Å; D133-H235 IonicContact OD2-NE2 2.66Å; D133-H235 PolarHBondContact OD2-NE2 3.35Å; Q218-H235 VanDerWaalsContact CA-O 3.25Å; Q218-H235 WeakPolarHBondContact CA-O 3.32Å; C219-H235 PolarHBondContact N-O 2.92Å; C219-H235 VanDerWaalsContact N-O 3.08Å; C219-H235 PolarHBondContact O-N 2.98Å; C219-H235 VanDerWaalsContact O-N 3.16Å; K233-H235 PolarHBondContact O-CD2 3.17Å; K233-H235 PolarHBondContact O-N 2.72Å; H235-L237 PolarHBondContact O-N 2.66Å |
| 236 | H | 70.7 | Confident | 80.1 | Confident | 137 Ų | 137 | 82.8 Ų | 82.8 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.2 | 170.8 | -65.6 | -56.6 | 0 | 0 | 0 | 109.2 | Q218 | Q218-H236 PolarHBondContact OE1-CE1 3.32Å; Q218-H236 PolarHBondContact OE1-ND1 3.48Å |
| 237 | L | 58.7 | Low | 79.1 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 41% | 0.408 | 45% | 0.449 | S | S | . | . | trans | -110.8 | 0 | 178.8 | -61.9 | 168.8 | 0 | 0 | 0 | 110 | E13 F131 K216 G217 C219 H235 | E13-L237 HydrophobicContact CB-CD1 4.11Å; E13-L237 VanDerWaalsContact CD-CD1 3.48Å; E13-L237 HydrophobicContact CG-CB 4.41Å; E13-L237 HydrophobicContact CG-CD1 3.9Å; E13-L237 WeakPolarHBondContact OE1-CB 3.09Å; E13-L237 WeakPolarHBondContact OE2-CD1 3.5Å; F131-L237 HydrophobicContact CD2-CD1 4.16Å; F131-L237 HydrophobicContact CD2-CD2 3.71Å; F131-L237 HydrophobicContact CE2-CD1 4.03Å; F131-L237 HydrophobicContact CE2-CD2 3.8Å; F131-L237 HydrophobicContact CE2-CG 4.36Å; K216-L237 CarbonylContact C-O 3.44Å; K216-L237 WeakPolarHBondContact CA-O 3.32Å; G217-L237 PolarHBondContact N-O 3.41Å; G217-L237 PolarHBondContact O-N 2.82Å; C219-L237 HydrophobicContact CB-CD1 3.53Å; H235-L237 PolarHBondContact O-N 2.66Å |
Retrieved 237 of 237 residues in 98.8 ms
(Link to these results)